==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 16-DEC-11 3V5T . COMPND 2 MOLECULE: CALMODULIN-DOMAIN PROTEIN KINASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: TOXOPLASMA GONDII; . AUTHOR E.A.MERRITT,E.T.LARSON . 460 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21969.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 329 71.5 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 . 47 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 . 27 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 195 42.4 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 4 2 1 0 0 0 4 1 0 2 0 1 1 0 0 0 1 0 0 0 0 0 0 1 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 1 2 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 43 A S 0 0 157 0, 0.0 2,-0.4 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 -31.3 2.7 10.1 88.5 2 44 A T - 0 0 119 1,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.625 360.0-105.7 -71.5 128.1 2.9 12.0 85.2 3 45 A A - 0 0 62 -2,-0.4 2,-0.6 1,-0.1 74,-0.4 -0.232 25.9-143.0 -66.0 139.1 6.1 10.8 83.5 4 46 A I >> - 0 0 80 1,-0.1 3,-1.2 72,-0.1 4,-0.9 -0.920 6.7-143.4-106.0 119.4 9.2 13.1 83.4 5 47 A F H >> S+ 0 0 4 -2,-0.6 4,-2.5 1,-0.2 3,-1.1 0.856 100.8 51.5 -38.5 -53.0 11.3 12.9 80.2 6 48 A S H 34 S+ 0 0 27 1,-0.3 -1,-0.2 2,-0.2 347,-0.1 0.744 100.0 64.0 -71.4 -19.0 14.6 13.3 82.1 7 49 A D H <4 S+ 0 0 116 -3,-1.2 -1,-0.3 1,-0.1 -2,-0.2 0.817 116.9 29.3 -65.8 -29.9 13.7 10.4 84.4 8 50 A R H << S+ 0 0 98 -3,-1.1 21,-3.3 -4,-0.9 2,-0.4 0.785 121.3 42.9 -98.3 -35.6 13.8 8.2 81.3 9 51 A Y E < -A 28 0A 7 -4,-2.5 2,-0.3 19,-0.2 19,-0.2 -0.937 55.1-158.3-126.9 137.3 16.3 9.7 78.9 10 52 A K E -A 27 0A 92 17,-2.4 17,-2.3 -2,-0.4 2,-0.3 -0.871 29.1-114.4-105.3 147.7 19.8 11.3 79.0 11 53 A G E +A 26 0A 36 -2,-0.3 15,-0.2 15,-0.2 3,-0.1 -0.611 29.3 176.2 -74.4 132.8 21.2 13.7 76.4 12 54 A Q E - 0 0 76 13,-3.1 2,-0.3 1,-0.4 14,-0.2 0.796 64.3 -35.0 -98.2 -53.1 24.2 12.4 74.4 13 55 A R E -A 25 0A 145 12,-1.3 12,-2.9 0, 0.0 -1,-0.4 -0.981 60.2 -92.6-167.9 158.7 24.6 15.3 72.0 14 56 A V E -A 24 0A 56 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.586 23.0-170.3 -80.1 140.6 22.8 18.0 70.0 15 57 A L E - 0 0 73 8,-2.9 2,-0.2 1,-0.4 9,-0.2 0.365 52.6 -92.3-111.2 -2.3 21.9 17.1 66.4 16 58 A G E -A 23 0A 31 7,-0.8 7,-2.9 2,-0.0 2,-0.5 -0.614 48.3 -50.9 124.6-177.1 20.9 20.7 65.3 17 59 A K E +A 22 0A 70 5,-0.2 5,-0.3 -2,-0.2 2,-0.2 -0.845 53.3 175.5 -98.2 126.8 18.0 23.0 65.1 18 60 A G E > -A 21 0A 20 3,-2.5 3,-0.8 -2,-0.5 2,-0.1 -0.543 47.7 -53.8-113.6-174.1 14.9 21.7 63.2 19 61 A S T 3 S+ 0 0 21 1,-0.2 -1,-0.1 -2,-0.2 134,-0.0 -0.459 124.3 0.8 -62.4 133.3 11.5 23.2 62.6 20 62 A F T 3 S- 0 0 30 -2,-0.1 21,-0.5 24,-0.1 2,-0.3 0.268 132.8 -2.9 71.0 -9.3 9.9 24.3 65.9 21 63 A G E < S-A 18 0A 4 -3,-0.8 -3,-2.5 19,-0.2 19,-0.2 -0.942 80.8 -68.1 173.8 171.9 12.8 23.2 68.0 22 64 A E E -AB 17 39A 51 17,-0.8 17,-2.5 -2,-0.3 2,-0.4 -0.344 39.3-136.9 -69.4 153.6 16.2 21.7 68.6 23 65 A V E -AB 16 38A 30 -7,-2.9 -8,-2.9 15,-0.2 -7,-0.8 -0.975 19.1-169.9-116.3 133.0 16.9 18.0 68.2 24 66 A I E -AB 14 37A 1 13,-2.8 13,-3.0 -2,-0.4 2,-0.5 -0.977 24.5-126.7-124.4 132.6 18.9 16.1 70.7 25 67 A L E -AB 13 36A 10 -12,-2.9 -13,-3.1 -2,-0.4 -12,-1.3 -0.687 42.0-177.4 -73.3 119.8 20.3 12.5 70.4 26 68 A C E -AB 11 35A 0 9,-3.4 9,-3.4 -2,-0.5 2,-0.4 -0.829 20.0-148.0-122.9 163.2 19.1 10.8 73.6 27 69 A K E -AB 10 34A 61 -17,-2.3 -17,-2.4 -2,-0.3 7,-0.2 -0.996 25.1-114.8-134.6 130.1 19.5 7.4 75.3 28 70 A D E > -A 9 0A 9 5,-2.6 4,-1.3 -2,-0.4 -19,-0.2 -0.441 23.6-139.8 -59.9 128.6 17.0 5.5 77.5 29 71 A K T 4 S+ 0 0 105 -21,-3.3 -1,-0.1 -2,-0.2 -20,-0.1 0.737 95.9 28.9 -66.6 -26.3 18.6 5.2 81.0 30 72 A I T 4 S+ 0 0 159 -22,-0.4 -1,-0.1 3,-0.1 -21,-0.1 0.856 129.1 31.9 -97.1 -55.8 17.4 1.6 81.5 31 73 A T T 4 S- 0 0 102 2,-0.1 -2,-0.1 1,-0.1 -3,-0.0 0.675 92.1-133.2 -84.4 -18.2 17.2 -0.1 78.0 32 74 A G < + 0 0 28 -4,-1.3 2,-0.1 1,-0.2 -3,-0.1 0.396 48.4 155.8 81.1 -0.3 20.1 1.8 76.4 33 75 A Q - 0 0 107 -6,-0.1 -5,-2.6 1,-0.1 2,-0.3 -0.375 39.0-130.4 -68.1 134.3 18.0 2.6 73.2 34 76 A E E +B 27 0A 84 -7,-0.2 54,-0.5 -2,-0.1 2,-0.3 -0.601 30.1 178.3 -83.0 139.9 19.1 5.7 71.2 35 77 A C E -B 26 0A 3 -9,-3.4 -9,-3.4 -2,-0.3 2,-0.7 -0.958 31.4-129.0-140.0 156.2 16.4 8.2 70.2 36 78 A A E -BC 25 86A 19 50,-2.8 50,-2.5 -2,-0.3 2,-0.5 -0.928 31.5-163.3-107.4 108.6 16.2 11.6 68.4 37 79 A V E -BC 24 85A 0 -13,-3.0 -13,-2.8 -2,-0.7 2,-0.6 -0.836 10.8-155.1-101.2 125.1 14.2 13.9 70.6 38 80 A K E -BC 23 84A 18 46,-2.7 46,-2.9 -2,-0.5 2,-0.7 -0.900 13.1-159.4 -97.3 118.6 12.7 17.1 69.2 39 81 A V E -BC 22 83A 7 -17,-2.5 -17,-0.8 -2,-0.6 2,-0.6 -0.889 4.6-163.2-105.5 109.5 12.3 19.6 72.1 40 82 A I E - C 0 82A 0 42,-2.2 42,-2.0 -2,-0.7 2,-0.4 -0.838 14.6-134.8 -99.4 123.6 9.8 22.3 71.4 41 83 A S E > - C 0 81A 14 -2,-0.6 4,-0.7 -21,-0.5 40,-0.2 -0.617 5.3-153.7 -77.2 123.9 9.8 25.4 73.6 42 84 A K T 4 S+ 0 0 51 38,-3.4 3,-0.4 -2,-0.4 -1,-0.1 0.856 94.9 53.1 -65.8 -37.6 6.3 26.5 74.7 43 85 A R T 4 S+ 0 0 121 37,-0.5 -1,-0.2 1,-0.2 38,-0.1 0.936 112.3 43.6 -59.2 -50.5 7.3 30.1 75.0 44 86 A Q T 4 S+ 0 0 112 1,-0.1 2,-0.4 -24,-0.1 -1,-0.2 0.509 112.8 54.3 -77.1 -8.1 8.7 30.3 71.5 45 87 A V < - 0 0 14 -4,-0.7 2,-0.2 -3,-0.4 -1,-0.1 -0.929 68.9-147.6-138.5 111.8 5.9 28.5 69.7 46 88 A K - 0 0 69 -2,-0.4 115,-2.6 115,-0.2 2,-0.3 -0.545 23.8-128.5 -69.2 138.5 2.2 29.3 69.7 47 89 A Q B -E 160 0B 76 113,-0.2 113,-0.3 -2,-0.2 112,-0.1 -0.668 8.0-153.7 -87.1 146.1 -0.1 26.2 69.4 48 90 A K S S+ 0 0 107 111,-3.1 2,-0.2 -2,-0.3 112,-0.2 0.693 76.3 30.4 -89.0 -26.2 -2.9 26.2 66.8 49 91 A T S S- 0 0 48 110,-0.7 2,-0.1 1,-0.1 -2,-0.1 -0.599 90.5 -85.8-124.1-178.6 -5.2 23.7 68.6 50 92 A D > - 0 0 99 -2,-0.2 4,-2.0 1,-0.1 3,-0.4 -0.468 41.8-103.3 -86.4 166.6 -6.1 22.7 72.2 51 93 A K H > S+ 0 0 58 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.911 120.2 59.9 -53.7 -48.4 -4.3 20.1 74.3 52 94 A E H > S+ 0 0 56 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.908 108.7 44.8 -45.9 -45.8 -7.0 17.5 73.7 53 95 A S H > S+ 0 0 42 -3,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.869 112.1 50.2 -74.6 -37.3 -6.3 17.7 69.9 54 96 A L H X S+ 0 0 9 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.968 111.4 49.1 -60.6 -53.7 -2.5 17.6 70.2 55 97 A L H X S+ 0 0 89 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.891 110.5 50.7 -51.6 -45.6 -2.7 14.5 72.5 56 98 A R H X S+ 0 0 197 -4,-1.9 4,-1.8 -5,-0.3 -1,-0.2 0.871 110.5 49.0 -64.9 -38.7 -5.1 12.7 70.0 57 99 A E H X S+ 0 0 37 -4,-1.8 4,-2.8 2,-0.2 -1,-0.2 0.906 109.8 51.4 -66.5 -44.3 -2.8 13.4 67.1 58 100 A V H X S+ 0 0 13 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.898 107.7 53.0 -58.1 -42.8 0.3 12.1 69.0 59 101 A Q H X S+ 0 0 103 -4,-2.1 4,-0.8 -5,-0.2 -1,-0.2 0.909 110.6 47.4 -62.0 -42.8 -1.6 8.9 69.9 60 102 A L H >X S+ 0 0 55 -4,-1.8 3,-1.5 1,-0.2 4,-0.7 0.970 111.6 49.4 -60.3 -53.6 -2.4 8.3 66.2 61 103 A L H >< S+ 0 0 29 -4,-2.8 3,-0.6 1,-0.3 11,-0.5 0.814 102.8 61.9 -61.1 -32.9 1.2 9.0 65.0 62 104 A K H 3< S+ 0 0 70 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.798 109.7 42.3 -57.1 -29.8 2.6 6.6 67.7 63 105 A Q H << S+ 0 0 131 -3,-1.5 -1,-0.2 -4,-0.8 -2,-0.2 0.469 92.2 102.1 -99.4 -8.0 0.6 3.8 66.0 64 106 A L << - 0 0 20 -4,-0.7 2,-0.3 -3,-0.6 8,-0.3 -0.535 49.3-174.0 -77.8 148.4 1.4 4.7 62.3 65 107 A D + 0 0 110 -2,-0.2 5,-0.1 6,-0.1 6,-0.1 -0.942 18.3 140.8-150.3 120.9 4.1 2.7 60.5 66 108 A H > - 0 0 30 3,-0.4 3,-1.8 -2,-0.3 53,-0.0 -0.937 49.8-124.6-161.4 136.2 5.6 3.2 57.0 67 109 A P T 3 S+ 0 0 69 0, 0.0 4,-0.1 0, 0.0 48,-0.0 0.697 110.7 46.6 -61.0 -19.3 9.2 2.8 55.8 68 110 A N T 3 S+ 0 0 11 82,-0.1 83,-2.9 47,-0.1 2,-0.4 0.239 100.4 78.5-105.8 10.0 9.4 6.4 54.4 69 111 A I B < S-f 151 0C 17 -3,-1.8 -3,-0.4 81,-0.3 83,-0.2 -0.983 89.2-106.6-120.3 129.5 8.0 8.1 57.5 70 112 A M - 0 0 58 81,-2.1 2,-0.4 -2,-0.4 -2,-0.1 -0.241 37.4-120.1 -47.9 133.8 9.9 8.8 60.8 71 113 A K - 0 0 37 -4,-0.1 16,-1.8 16,-0.1 2,-0.5 -0.711 21.9-152.7 -79.6 126.7 8.9 6.5 63.6 72 114 A L E +D 86 0A 14 -11,-0.5 14,-0.2 -2,-0.4 3,-0.1 -0.918 20.9 168.6 -99.4 128.3 7.5 8.2 66.7 73 115 A Y E + 0 0 62 12,-2.7 2,-0.3 -2,-0.5 13,-0.2 0.860 56.6 9.3-101.8 -56.0 7.9 6.3 70.0 74 116 A E E -D 85 0A 49 11,-1.6 11,-2.8 2,-0.0 2,-0.4 -0.937 48.6-155.5-135.6 157.8 7.1 8.7 72.9 75 117 A F E +D 84 0A 32 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.996 16.4 177.8-131.5 124.6 5.6 12.1 73.8 76 118 A F E -D 83 0A 17 7,-2.2 7,-2.8 -2,-0.4 2,-0.3 -0.868 3.8-174.1-121.3 162.2 6.4 14.1 77.0 77 119 A E E +D 82 0A 77 -74,-0.4 5,-0.2 -2,-0.3 2,-0.2 -0.944 9.5 161.7-154.6 132.2 5.3 17.5 78.2 78 120 A D - 0 0 70 3,-1.9 -74,-0.0 -2,-0.3 5,-0.0 -0.385 60.1 -62.3-125.9-149.0 6.2 19.7 81.2 79 121 A K S S+ 0 0 123 1,-0.2 3,-0.0 -2,-0.2 0, 0.0 0.858 128.2 16.7 -74.7 -38.0 5.7 23.4 82.0 80 122 A G S S+ 0 0 24 1,-0.1 -38,-3.4 -38,-0.1 -37,-0.5 0.530 118.8 46.2-113.0 -7.3 7.9 24.8 79.3 81 123 A Y E -C 41 0A 57 -40,-0.2 -3,-1.9 -39,-0.1 2,-0.4 -0.951 51.1-145.5-145.2 153.1 8.4 22.1 76.7 82 124 A F E -CD 40 77A 1 -42,-2.0 -42,-2.2 -2,-0.3 2,-0.5 -0.933 22.8-154.5-106.9 141.3 7.1 19.3 74.4 83 125 A Y E -CD 39 76A 17 -7,-2.8 -7,-2.2 -2,-0.4 2,-0.7 -0.961 6.5-168.3-122.6 115.3 9.4 16.4 73.9 84 126 A L E -CD 38 75A 25 -46,-2.9 -46,-2.7 -2,-0.5 2,-0.7 -0.894 9.2-160.4-106.6 109.1 8.9 14.4 70.7 85 127 A V E +CD 37 74A 0 -11,-2.8 -12,-2.7 -2,-0.7 -11,-1.6 -0.797 22.5 156.7-102.3 108.7 10.8 11.1 70.8 86 128 A G E -CD 36 72A 0 -50,-2.5 -50,-2.8 -2,-0.7 -14,-0.2 -0.585 45.0 -71.9-121.1-178.1 11.5 9.4 67.5 87 129 A E - 0 0 57 -16,-1.8 2,-0.3 -52,-0.2 -52,-0.2 -0.506 48.2-117.2 -76.6 139.4 13.9 7.0 65.8 88 130 A V - 0 0 38 -54,-0.5 2,-0.4 -2,-0.2 -1,-0.1 -0.582 27.0-166.6 -76.2 137.1 17.5 8.1 65.1 89 131 A Y - 0 0 28 -2,-0.3 53,-0.2 1,-0.0 3,-0.2 -0.988 9.0-171.5-123.7 140.4 18.6 8.2 61.4 90 132 A T + 0 0 87 51,-1.5 52,-0.2 -2,-0.4 51,-0.2 0.252 62.0 90.7-116.3 7.2 22.2 8.6 60.4 91 133 A G S S- 0 0 15 49,-2.0 50,-0.2 1,-0.2 -1,-0.1 0.600 81.1-138.0 -84.4 -12.1 22.2 9.1 56.6 92 134 A G - 0 0 40 48,-0.4 48,-2.9 -3,-0.2 -1,-0.2 -0.283 47.2 -30.3 80.5-172.5 22.0 12.9 56.8 93 135 A E B >> -G 139 0C 49 46,-0.2 4,-0.8 1,-0.1 3,-0.7 -0.544 60.7-118.8 -80.9 142.2 19.7 15.0 54.6 94 136 A L H >> S+ 0 0 2 44,-3.2 3,-1.9 41,-0.5 4,-1.8 0.909 110.4 49.9 -43.1 -57.4 19.0 13.7 51.1 95 137 A F H 3> S+ 0 0 2 40,-0.3 4,-1.9 1,-0.3 -1,-0.2 0.775 102.7 60.1 -62.5 -30.8 20.6 16.7 49.2 96 138 A D H <4 S+ 0 0 66 -3,-0.7 4,-0.4 1,-0.2 -1,-0.3 0.660 110.5 43.6 -67.9 -19.6 23.9 16.5 51.2 97 139 A E H << S+ 0 0 44 -3,-1.9 -2,-0.2 -4,-0.8 -1,-0.2 0.753 110.4 55.1 -92.1 -32.5 24.2 13.0 49.9 98 140 A I H < S+ 0 0 0 -4,-1.8 3,-0.4 1,-0.2 -2,-0.2 0.829 100.7 58.2 -69.7 -31.7 23.2 13.9 46.3 99 141 A I S < S+ 0 0 32 -4,-1.9 2,-1.2 1,-0.3 -1,-0.2 0.882 99.4 61.6 -68.0 -32.1 25.8 16.6 46.0 100 142 A S S S+ 0 0 88 -4,-0.4 2,-0.3 -5,-0.1 -1,-0.3 -0.441 86.1 100.2 -92.6 61.4 28.6 14.0 46.6 101 143 A R - 0 0 64 -2,-1.2 3,-0.1 -3,-0.4 -3,-0.0 -0.997 61.7-147.2-144.6 144.9 27.9 11.8 43.6 102 144 A K S S+ 0 0 95 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.954 86.9 25.7 -73.8 -53.4 29.5 11.3 40.2 103 145 A R + 0 0 93 173,-0.1 2,-0.3 178,-0.0 -1,-0.1 -0.793 56.4 173.1-116.1 155.1 26.3 10.4 38.4 104 146 A F + 0 0 0 -2,-0.3 173,-3.1 -3,-0.1 2,-0.2 -0.837 13.3 175.7-159.3 120.1 22.6 11.1 38.9 105 147 A S >> - 0 0 10 -2,-0.3 4,-1.8 171,-0.2 3,-0.7 -0.678 50.1 -92.8-120.5 174.0 19.9 10.1 36.4 106 148 A E H 3> S+ 0 0 16 169,-0.4 4,-2.6 1,-0.2 5,-0.2 0.778 125.0 61.6 -55.7 -29.7 16.1 10.2 36.1 107 149 A V H 3> S+ 0 0 26 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.882 105.1 46.4 -65.8 -38.7 16.2 6.6 37.5 108 150 A D H <> S+ 0 0 42 -3,-0.7 4,-1.4 2,-0.2 -2,-0.2 0.862 114.4 48.2 -66.0 -38.5 17.8 8.0 40.7 109 151 A A H X S+ 0 0 0 -4,-1.8 4,-3.0 1,-0.2 5,-0.2 0.903 110.3 51.1 -69.9 -39.5 15.2 10.8 40.8 110 152 A A H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.809 107.7 51.9 -71.3 -33.3 12.3 8.5 40.3 111 153 A R H X S+ 0 0 112 -4,-1.3 4,-1.3 158,-0.2 -1,-0.2 0.879 113.7 44.7 -70.0 -38.2 13.3 6.1 43.0 112 154 A I H X S+ 0 0 11 -4,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.929 115.1 46.3 -69.2 -49.7 13.6 9.1 45.5 113 155 A I H X S+ 0 0 1 -4,-3.0 4,-2.9 1,-0.2 5,-0.3 0.874 108.7 57.0 -64.3 -34.5 10.3 10.6 44.4 114 156 A R H X S+ 0 0 97 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.881 107.8 48.3 -62.1 -37.9 8.6 7.2 44.6 115 157 A Q H X S+ 0 0 37 -4,-1.3 4,-2.2 2,-0.2 -1,-0.2 0.909 113.0 47.6 -65.8 -43.0 9.7 6.9 48.2 116 158 A V H X S+ 0 0 1 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.924 113.3 46.4 -67.0 -46.1 8.4 10.4 49.0 117 159 A L H X S+ 0 0 0 -4,-2.9 4,-3.0 2,-0.2 -1,-0.2 0.828 110.7 55.3 -63.0 -30.5 5.1 9.9 47.3 118 160 A S H X S+ 0 0 38 -4,-1.5 4,-2.0 -5,-0.3 -2,-0.2 0.953 110.3 43.1 -70.9 -47.5 4.8 6.5 49.1 119 161 A G H X S+ 0 0 0 -4,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.847 117.1 49.0 -63.1 -34.6 5.2 8.1 52.6 120 162 A I H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.921 107.7 52.0 -75.8 -49.1 2.9 10.9 51.6 121 163 A T H X S+ 0 0 12 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.924 109.2 52.0 -46.4 -52.6 0.1 8.7 50.2 122 164 A Y H X S+ 0 0 49 -4,-2.0 4,-0.7 1,-0.2 -1,-0.2 0.878 111.0 46.1 -56.4 -37.1 0.2 6.7 53.4 123 165 A M H <>S+ 0 0 2 -4,-1.2 5,-2.4 2,-0.2 3,-0.4 0.873 108.2 55.3 -81.3 -30.5 -0.2 9.8 55.6 124 166 A H H ><5S+ 0 0 25 -4,-2.3 3,-2.1 1,-0.3 -1,-0.2 0.874 101.9 57.9 -68.9 -38.7 -3.0 11.3 53.5 125 167 A K H 3<5S+ 0 0 147 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.805 108.4 47.4 -52.1 -34.9 -4.9 8.1 54.0 126 168 A N T 3<5S- 0 0 49 -4,-0.7 -1,-0.3 -3,-0.4 -2,-0.2 0.160 119.9-115.5 -94.7 16.9 -4.6 8.9 57.7 127 169 A K T < 5 + 0 0 131 -3,-2.1 2,-0.5 1,-0.2 -3,-0.2 0.796 69.4 138.4 51.5 39.0 -5.7 12.5 57.1 128 170 A I < - 0 0 1 -5,-2.4 2,-0.4 -8,-0.1 -1,-0.2 -0.964 34.2-164.6-112.7 120.1 -2.3 14.0 58.2 129 171 A V - 0 0 27 -2,-0.5 26,-0.6 1,-0.1 29,-0.3 -0.821 12.5-159.0-102.0 139.8 -1.0 16.8 56.0 130 172 A H - 0 0 2 -2,-0.4 2,-0.8 57,-0.2 27,-0.4 0.957 12.4-179.7 -78.9 -55.9 2.7 18.1 56.1 131 173 A R S S+ 0 0 16 56,-0.1 46,-0.3 1,-0.1 -1,-0.1 -0.191 74.0 58.5 81.5 -41.4 2.3 21.6 54.7 132 174 A D + 0 0 34 -2,-0.8 -1,-0.1 21,-0.1 44,-0.1 -0.095 68.5 159.6-112.8 30.5 6.1 22.3 55.0 133 175 A L + 0 0 0 42,-0.1 20,-0.1 3,-0.1 18,-0.0 -0.368 15.4 144.1 -62.0 126.1 7.6 19.5 52.9 134 176 A K > - 0 0 10 -2,-0.1 3,-2.6 62,-0.0 4,-0.2 -0.975 62.5 -89.8-157.3 166.4 11.1 20.4 51.8 135 177 A P G > S+ 0 0 11 0, 0.0 3,-1.4 0, 0.0 -41,-0.5 0.762 121.0 57.7 -55.5 -31.2 14.5 18.7 51.2 136 178 A E G 3 S+ 0 0 48 1,-0.3 -3,-0.1 -43,-0.1 0, 0.0 0.614 99.3 61.9 -77.4 -9.8 15.8 19.1 54.7 137 179 A N G < S+ 0 0 2 -3,-2.6 15,-3.1 1,-0.1 2,-0.7 0.362 88.8 82.8 -88.4 1.6 12.7 17.1 55.8 138 180 A L E < + H 0 151C 0 -3,-1.4 -44,-3.2 -4,-0.2 2,-0.3 -0.906 62.8 178.8-107.1 102.0 14.0 14.2 53.8 139 181 A L E -GH 93 150C 34 11,-2.4 11,-3.2 -2,-0.7 2,-0.4 -0.691 28.0-124.1 -97.0 152.0 16.6 12.2 55.8 140 182 A L E - H 0 149C 16 -48,-2.9 -49,-2.0 -2,-0.3 -48,-0.4 -0.824 18.7-132.7 -95.5 138.8 18.4 9.0 54.7 141 183 A E S S- 0 0 56 7,-3.2 -51,-1.5 -2,-0.4 2,-0.3 0.824 79.0 -9.5 -62.6 -35.3 17.9 6.1 57.1 142 184 A S S S- 0 0 36 2,-0.3 5,-0.2 6,-0.2 -51,-0.1 -0.904 74.8 -93.7-149.8 177.2 21.6 5.2 57.2 143 185 A K S S+ 0 0 193 -2,-0.3 -52,-0.0 3,-0.1 -2,-0.0 0.504 86.0 116.9 -75.1 -3.7 24.9 5.9 55.6 144 186 A S S > S- 0 0 69 1,-0.1 3,-1.2 2,-0.1 -2,-0.3 -0.347 72.6-127.8 -66.3 148.1 24.3 2.9 53.2 145 187 A K T 3 S+ 0 0 90 1,-0.3 -1,-0.1 -2,-0.0 -2,-0.0 0.657 107.4 49.2 -76.2 -18.3 24.0 3.7 49.5 146 188 A D T 3 S+ 0 0 138 2,-0.0 -1,-0.3 0, 0.0 -2,-0.1 0.117 87.4 151.2-100.4 18.9 20.7 2.0 49.0 147 189 A A < - 0 0 12 -3,-1.2 2,-0.1 -5,-0.2 -4,-0.0 -0.181 45.6-117.0 -73.7 141.0 19.1 3.7 52.0 148 190 A N - 0 0 60 -8,-0.1 -7,-3.2 1,-0.1 2,-0.4 -0.370 25.5-119.5 -67.3 148.3 15.5 4.5 52.5 149 191 A I E - H 0 140C 0 -9,-0.2 2,-0.5 -8,-0.1 -9,-0.2 -0.758 22.6-158.5 -85.3 132.5 14.3 8.2 52.8 150 192 A R E - H 0 139C 31 -11,-3.2 -11,-2.4 -2,-0.4 2,-0.4 -0.977 10.9-141.6-112.8 120.3 12.5 9.0 56.0 151 193 A I E -fH 69 138C 2 -83,-2.9 -81,-2.1 -2,-0.5 2,-0.3 -0.668 20.3-155.7 -80.5 130.1 10.2 12.1 55.9 152 194 A I + 0 0 29 -15,-3.1 -15,-0.0 -2,-0.4 -16,-0.0 -0.735 58.9 31.9-105.2 152.2 10.4 14.1 59.1 153 195 A D >> + 0 0 26 1,-0.3 3,-1.3 -2,-0.3 4,-0.6 0.341 60.6 153.6 91.6 6.9 7.9 16.6 60.6 154 196 A F T 34 S+ 0 0 18 1,-0.2 -1,-0.3 -3,-0.2 -24,-0.1 -0.419 71.6 26.3 -55.5 129.9 4.5 15.2 59.7 155 197 A G T 3> S+ 0 0 3 -26,-0.6 4,-0.7 -2,-0.1 3,-0.3 -0.151 98.2 88.5 110.4 -35.6 2.0 16.4 62.3 156 198 A L H X> S+ 0 0 15 -3,-1.3 4,-2.0 1,-0.2 3,-1.4 0.907 79.5 55.1 -65.9 -50.5 3.7 19.5 63.5 157 199 A S H 3< S+ 0 0 2 -4,-0.6 -1,-0.2 -27,-0.4 5,-0.1 0.776 102.5 59.8 -57.0 -33.4 2.4 22.2 61.2 158 200 A T H 34 S+ 0 0 45 -3,-0.3 -1,-0.3 -29,-0.3 -2,-0.2 0.812 118.2 28.9 -61.5 -33.3 -1.2 21.3 62.1 159 201 A H H << S+ 0 0 6 -3,-1.4 -111,-3.1 -4,-0.7 -110,-0.7 0.615 116.7 54.5-108.7 -16.2 -0.6 22.1 65.8 160 202 A F B < S-E 47 0B 5 -4,-2.0 2,-0.3 -113,-0.3 -113,-0.2 -0.943 77.4-117.3-129.9 143.6 2.1 24.7 65.8 161 203 A E - 0 0 41 -115,-2.6 -115,-0.2 -2,-0.4 -3,-0.1 -0.633 35.7-114.2 -80.3 131.5 2.4 28.1 64.2 162 204 A A - 0 0 50 -2,-0.3 2,-0.1 -5,-0.1 -116,-0.1 -0.282 36.3-106.1 -58.0 143.3 5.3 28.6 61.7 163 205 A S - 0 0 40 1,-0.1 -1,-0.1 5,-0.1 -118,-0.0 -0.465 18.4-160.3 -74.0 148.0 8.0 31.0 62.8 164 206 A K + 0 0 189 -2,-0.1 2,-0.3 4,-0.0 -1,-0.1 0.190 62.6 108.5-108.2 8.5 8.3 34.4 61.2 165 207 A K S > S- 0 0 117 1,-0.1 4,-1.6 5,-0.0 3,-0.2 -0.704 73.7-132.7 -81.8 141.9 11.9 34.7 62.3 166 208 A M H > S+ 0 0 37 -2,-0.3 4,-2.6 1,-0.2 -1,-0.1 0.849 101.2 64.0 -73.4 -37.5 14.3 34.4 59.4 167 209 A K H 4 S+ 0 0 63 1,-0.2 -1,-0.2 2,-0.2 132,-0.1 0.937 115.2 34.7 -44.8 -49.4 16.7 31.9 61.0 168 210 A D H 4 S+ 0 0 55 -3,-0.2 -2,-0.2 1,-0.2 -1,-0.2 0.777 117.8 54.4 -76.9 -29.0 13.7 29.5 61.1 169 211 A K H >< S+ 0 0 28 -4,-1.6 3,-1.8 2,-0.1 4,-0.3 0.782 74.9 118.0 -82.1 -29.2 12.2 30.7 57.8 170 212 A I T 3< S+ 0 0 9 -4,-2.6 254,-0.1 1,-0.2 253,-0.1 -0.068 80.5 14.7 -45.6 130.5 15.1 30.3 55.4 171 213 A G T 3 S+ 0 0 15 252,-0.2 -1,-0.2 -37,-0.0 4,-0.2 0.365 99.8 98.4 92.1 -2.0 14.6 27.8 52.5 172 214 A T X> + 0 0 40 -3,-1.8 3,-1.5 1,-0.2 4,-1.1 0.845 63.7 68.4 -90.2 -36.5 10.8 27.5 52.9 173 215 A A T 34 S+ 0 0 5 -4,-0.3 -1,-0.2 1,-0.3 3,-0.1 0.765 91.8 62.1 -58.6 -31.1 9.4 29.9 50.3 174 216 A Y T 34 S+ 0 0 8 1,-0.2 -1,-0.3 -3,-0.1 34,-0.2 0.815 112.5 36.2 -61.3 -30.3 10.5 27.7 47.3 175 217 A Y T <4 S+ 0 0 12 -3,-1.5 -2,-0.2 -4,-0.2 -1,-0.2 0.599 84.5 108.2-106.6 -20.0 8.4 24.8 48.4 176 218 A I < - 0 0 37 -4,-1.1 -44,-0.1 -3,-0.1 14,-0.1 -0.467 68.4-120.6 -69.8 132.2 5.1 26.2 49.9 177 219 A A >> - 0 0 0 -46,-0.3 4,-1.3 -2,-0.2 3,-1.1 -0.377 20.7-117.9 -68.9 148.4 2.0 25.7 47.7 178 220 A P H 3> S+ 0 0 0 0, 0.0 4,-1.2 0, 0.0 3,-0.3 0.896 112.6 57.4 -55.1 -44.1 0.1 28.8 46.6 179 221 A E H 34 S+ 0 0 14 70,-0.2 5,-0.5 1,-0.2 4,-0.5 0.713 98.9 60.1 -65.3 -21.8 -3.1 27.9 48.5 180 222 A V H X4 S+ 0 0 18 -3,-1.1 3,-1.5 2,-0.2 -1,-0.2 0.954 101.4 54.8 -66.8 -44.6 -1.1 27.7 51.8 181 223 A L H 3< S+ 0 0 65 -4,-1.3 -2,-0.2 -3,-0.3 -1,-0.2 0.863 111.9 43.9 -51.5 -41.3 -0.2 31.4 51.4 182 224 A H T 3< S- 0 0 109 -4,-1.2 -1,-0.3 2,-0.1 -2,-0.2 0.429 113.7-116.5 -90.1 -3.7 -3.9 32.3 51.0 183 225 A G S < S+ 0 0 53 -3,-1.5 2,-0.9 -4,-0.5 -3,-0.1 0.124 84.4 100.9 96.2 -21.8 -5.1 30.1 53.9 184 226 A T + 0 0 127 -5,-0.5 2,-0.3 2,-0.0 -2,-0.1 -0.778 51.5 143.8 -99.6 93.4 -7.4 27.4 52.2 185 227 A Y + 0 0 71 -2,-0.9 2,-0.2 -5,-0.1 -5,-0.0 -0.891 21.0 168.8-129.2 159.3 -5.3 24.3 51.9 186 228 A D > - 0 0 70 -2,-0.3 3,-2.1 -55,-0.0 4,-0.3 -0.746 61.5 -53.4-147.7-167.1 -5.6 20.5 52.2 187 229 A E T >> S+ 0 0 78 1,-0.3 3,-1.3 -2,-0.2 4,-0.6 0.687 118.3 75.0 -56.5 -24.7 -3.5 17.4 51.4 188 230 A K H >> S+ 0 0 26 1,-0.2 4,-1.8 2,-0.2 3,-0.6 0.763 78.9 74.1 -59.9 -22.9 -2.8 18.5 47.8 189 231 A C H <> S+ 0 0 0 -3,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.852 91.2 57.8 -59.5 -33.0 -0.3 21.1 49.0 190 232 A D H <> S+ 0 0 0 -3,-1.3 4,-1.8 -4,-0.3 -1,-0.2 0.826 102.1 52.9 -66.7 -34.4 2.1 18.2 49.8 191 233 A V H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 3,-0.6 0.899 108.4 53.5 -68.7 -40.5 14.9 20.8 41.6 201 243 A L H 3< S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.847 114.2 42.4 -63.2 -31.6 16.3 17.2 41.3 202 244 A L H 3< S+ 0 0 1 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.487 133.0 16.7 -96.7 -6.7 16.1 17.2 37.5 203 245 A S H << S- 0 0 0 -4,-0.8 -3,-0.2 -3,-0.6 -2,-0.2 0.508 90.0-126.1-135.0 -21.0 17.4 20.7 36.8 204 246 A G S < S+ 0 0 3 -4,-2.7 83,-0.2 -5,-0.3 -4,-0.2 0.395 78.2 94.7 80.5 0.1 19.2 21.9 39.9 205 247 A C S S- 0 0 28 -6,-0.4 -1,-0.2 82,-0.0 -2,-0.1 -0.950 80.0-109.6-125.1 143.5 17.1 25.1 40.2 206 248 A P - 0 0 10 0, 0.0 3,-0.1 0, 0.0 -9,-0.1 -0.457 23.6-137.1 -61.3 137.5 14.0 26.1 42.1 207 249 A P S S+ 0 0 15 0, 0.0 2,-0.6 0, 0.0 19,-0.2 0.817 98.1 44.5 -67.0 -28.1 11.0 26.6 39.6 208 250 A F S S+ 0 0 2 -34,-0.2 2,-0.3 17,-0.1 8,-0.1 -0.974 82.8 160.9-120.2 116.6 10.0 29.7 41.5 209 251 A N + 0 0 68 -2,-0.6 2,-0.3 6,-0.1 10,-0.1 -0.836 9.2 155.0-135.7 164.1 13.0 31.9 42.3 210 252 A G - 0 0 30 -2,-0.3 6,-0.1 8,-0.0 3,-0.1 -0.967 52.5 -88.9-178.4-179.4 13.8 35.5 43.3 211 253 A A S S+ 0 0 70 -2,-0.3 2,-0.3 1,-0.0 214,-0.2 0.582 104.4 2.6 -89.1 -13.6 16.2 37.8 45.0 212 254 A N S > S- 0 0 51 211,-0.1 4,-1.7 213,-0.1 3,-0.5 -0.936 90.7 -81.9-160.0 175.0 14.6 37.5 48.5 213 255 A E H > S+ 0 0 49 209,-0.4 4,-2.6 -2,-0.3 3,-0.2 0.889 122.8 50.2 -55.7 -46.5 11.8 35.7 50.2 214 256 A Y H > S+ 0 0 153 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.813 108.3 52.8 -69.6 -29.6 9.0 38.0 49.2 215 257 A D H > S+ 0 0 52 -3,-0.5 4,-1.4 2,-0.2 -1,-0.2 0.836 110.2 48.6 -72.3 -31.2 10.0 37.8 45.5 216 258 A I H X S+ 0 0 8 -4,-1.7 4,-2.7 -3,-0.2 3,-0.4 0.952 109.9 52.0 -67.4 -48.9 9.9 34.0 45.7 217 259 A L H X S+ 0 0 32 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.874 107.4 53.3 -55.2 -40.6 6.5 34.2 47.3 218 260 A K H X S+ 0 0 86 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.852 109.7 47.2 -62.5 -39.5 5.3 36.4 44.5 219 261 A K H X>S+ 0 0 97 -4,-1.4 4,-1.6 -3,-0.4 5,-0.6 0.926 112.6 49.5 -65.4 -48.0 6.4 33.9 41.8 220 262 A V H <5S+ 0 0 0 -4,-2.7 -2,-0.2 1,-0.2 3,-0.2 0.914 109.3 52.6 -53.9 -48.4 4.8 31.0 43.7 221 263 A E H <5S+ 0 0 81 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.858 110.2 45.9 -65.4 -35.8 1.6 33.0 44.0 222 264 A K H <5S- 0 0 121 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.735 98.8-149.3 -77.8 -22.4 1.3 33.7 40.3 223 265 A G T <5 + 0 0 11 -4,-1.6 2,-0.3 1,-0.2 -3,-0.2 0.565 42.7 141.0 75.4 12.1 2.2 30.0 39.8 224 266 A K < + 0 0 166 -5,-0.6 2,-0.3 25,-0.0 -1,-0.2 -0.679 15.7 153.7 -93.6 141.5 4.1 30.4 36.4 225 267 A Y - 0 0 50 -2,-0.3 2,-0.3 -17,-0.1 -17,-0.1 -0.961 23.0-146.6-156.2 162.7 7.2 28.4 35.7 226 268 A T - 0 0 83 -2,-0.3 3,-0.2 -19,-0.2 -2,-0.0 -0.931 21.7-150.0-135.8 160.5 9.0 27.1 32.6 227 269 A F + 0 0 44 -2,-0.3 5,-0.1 1,-0.1 13,-0.0 -0.054 67.2 115.0-108.1 26.9 11.0 24.2 31.4 228 270 A E + 0 0 170 3,-0.1 -1,-0.1 4,-0.0 5,-0.0 0.543 43.0 109.1 -82.4 -6.5 12.9 26.4 28.9 229 271 A L S S- 0 0 74 -3,-0.2 3,-0.5 1,-0.1 4,-0.2 -0.142 82.2-107.8 -64.0 164.0 16.3 26.1 30.6 230 272 A P S > S+ 0 0 98 0, 0.0 3,-1.8 0, 0.0 4,-0.3 0.886 113.8 58.3 -61.2 -42.8 19.2 24.1 28.8 231 273 A Q G > S+ 0 0 17 1,-0.3 3,-1.6 2,-0.2 49,-0.1 0.770 90.0 72.3 -65.3 -24.6 19.1 21.1 31.2 232 274 A W G > S+ 0 0 3 -3,-0.5 3,-0.8 1,-0.3 -1,-0.3 0.626 84.7 69.4 -64.8 -12.0 15.4 20.4 30.4 233 275 A K G < S+ 0 0 94 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.795 94.3 55.8 -72.1 -28.4 16.6 19.2 27.0 234 276 A K G < S+ 0 0 57 -3,-1.6 2,-0.4 -4,-0.3 -1,-0.2 0.155 96.2 89.4 -85.2 18.4 18.2 16.2 28.8 235 277 A V S < S- 0 0 11 -3,-0.8 5,-0.0 -129,-0.0 -33,-0.0 -0.937 79.4-107.8-127.8 139.8 14.9 15.1 30.5 236 278 A S > - 0 0 21 -2,-0.4 4,-1.2 1,-0.1 3,-0.2 -0.212 22.9-125.4 -62.3 150.6 12.1 12.8 29.4 237 279 A E H > S+ 0 0 145 1,-0.2 4,-2.0 2,-0.2 3,-0.3 0.900 109.7 60.2 -58.9 -43.2 8.7 14.3 28.4 238 280 A S H > S+ 0 0 14 1,-0.2 4,-1.9 2,-0.2 27,-0.3 0.879 100.7 54.3 -57.8 -40.3 7.0 12.1 31.0 239 281 A A H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.901 109.5 47.1 -57.5 -42.7 8.9 13.7 33.8 240 282 A K H X S+ 0 0 35 -4,-1.2 4,-2.7 -3,-0.3 -1,-0.2 0.855 108.9 55.7 -71.5 -31.6 7.8 17.2 32.8 241 283 A D H X S+ 0 0 52 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.876 108.2 47.4 -66.3 -42.8 4.2 16.0 32.4 242 284 A L H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 5,-0.3 0.976 111.8 50.2 -60.5 -53.9 4.2 14.7 36.0 243 285 A I H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.3 -2,-0.2 0.927 108.9 52.4 -52.5 -47.2 5.7 18.0 37.2 244 286 A R H < S+ 0 0 115 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.917 111.9 46.7 -53.8 -44.1 3.0 19.9 35.3 245 287 A K H >< S+ 0 0 66 -4,-2.0 10,-1.5 1,-0.2 3,-0.8 0.862 114.0 46.6 -69.4 -35.0 0.4 17.8 37.0 246 288 A M H 3< S+ 0 0 0 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.780 113.4 49.1 -76.5 -30.0 1.9 18.3 40.5 247 289 A L T 3< S+ 0 0 4 -4,-2.8 2,-0.3 -5,-0.3 -1,-0.2 -0.028 77.6 138.6-101.1 28.7 2.4 22.0 40.0 248 290 A T < - 0 0 34 -3,-0.8 6,-0.1 1,-0.1 -3,-0.1 -0.609 51.3-139.5 -67.5 132.1 -1.2 22.5 38.8 249 291 A Y S S+ 0 0 88 -2,-0.3 -70,-0.2 -26,-0.1 -1,-0.1 0.935 83.6 64.6 -66.5 -54.2 -2.5 25.7 40.4 250 292 A V S >> S- 0 0 78 1,-0.1 3,-2.0 -72,-0.1 4,-0.8 -0.638 80.0-142.9 -80.0 115.6 -6.0 24.9 41.5 251 293 A P G >4 S+ 0 0 31 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 0.799 94.9 58.9 -55.2 -38.5 -5.7 22.1 44.1 252 294 A S G 34 S+ 0 0 98 1,-0.3 -2,-0.0 -3,-0.0 -3,-0.0 0.713 109.5 46.4 -65.1 -19.4 -8.8 20.0 43.0 253 295 A M G <4 S+ 0 0 147 -3,-2.0 -1,-0.3 2,-0.1 -4,-0.1 0.568 93.0 104.4 -93.8 -9.1 -7.2 19.7 39.5 254 296 A R S << S- 0 0 7 -3,-0.9 -8,-0.2 -4,-0.8 -9,-0.1 -0.389 82.5-102.4 -71.8 148.2 -3.8 18.8 41.0 255 297 A I - 0 0 25 -10,-1.5 -1,-0.1 -13,-0.2 2,-0.1 -0.362 37.0-121.9 -66.1 144.9 -2.7 15.1 40.9 256 298 A S > - 0 0 35 1,-0.1 4,-1.4 -3,-0.1 5,-0.1 -0.372 21.6-110.4 -78.6 167.6 -3.0 13.2 44.1 257 299 A A H > S+ 0 0 3 2,-0.2 4,-1.4 1,-0.2 -136,-0.2 0.914 118.7 48.4 -62.5 -40.1 -0.0 11.5 45.9 258 300 A R H > S+ 0 0 119 1,-0.2 4,-0.7 2,-0.2 3,-0.2 0.918 110.5 48.0 -72.5 -45.5 -1.5 8.1 45.0 259 301 A D H 4 S+ 0 0 98 1,-0.2 -1,-0.2 2,-0.2 3,-0.2 0.747 105.6 60.7 -67.3 -23.4 -2.2 8.8 41.4 260 302 A A H >< S+ 0 0 0 -4,-1.4 3,-1.9 1,-0.2 6,-0.3 0.899 96.8 59.7 -69.2 -41.3 1.3 10.2 41.0 261 303 A L H 3< S+ 0 0 27 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.775 105.2 49.9 -53.2 -31.6 2.7 6.8 42.0 262 304 A D T 3< S+ 0 0 94 -4,-0.7 -1,-0.3 -3,-0.2 -2,-0.2 0.349 85.7 126.8 -90.1 8.4 0.9 5.3 39.0 263 305 A H S <> S- 0 0 17 -3,-1.9 4,-2.8 1,-0.1 3,-0.5 -0.375 71.8-118.7 -68.9 142.2 2.3 7.9 36.6 264 306 A E H > S+ 0 0 130 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.846 113.2 54.1 -41.9 -47.1 4.1 6.8 33.4 265 307 A W H > S+ 0 0 0 -27,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.908 112.2 41.2 -61.7 -46.9 7.3 8.4 34.6 266 308 A I H > S+ 0 0 0 -3,-0.5 4,-1.3 -6,-0.3 -2,-0.2 0.904 117.3 49.2 -67.9 -42.7 7.4 6.7 38.0 267 309 A Q H >< S+ 0 0 78 -4,-2.8 3,-0.5 1,-0.2 -2,-0.2 0.979 116.5 41.1 -58.4 -57.4 6.3 3.3 36.5 268 310 A T H 3< S+ 0 0 78 -4,-3.0 3,-0.5 1,-0.2 -2,-0.2 0.900 119.3 41.7 -55.3 -50.5 8.9 3.4 33.7 269 311 A Y H 3< S+ 0 0 48 -4,-2.1 -1,-0.2 -5,-0.3 -158,-0.2 0.483 104.0 61.9 -93.0 -3.1 11.9 4.8 35.6 270 312 A T << 0 0 9 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.1 -0.298 360.0 360.0-110.2 49.6 11.7 2.8 38.9 271 313 A K 0 0 177 -3,-0.5 -3,-0.0 0, 0.0 -4,-0.0 -0.817 360.0 360.0-127.4 360.0 12.1 -0.6 37.2 272 ! 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 0.0 273 319 A D 0 0 154 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 40.7 20.6 3.1 29.2 274 320 A V - 0 0 60 -169,-0.0 -167,-0.0 -168,-0.0 -169,-0.0 -0.966 360.0-128.7-118.4 121.7 19.8 6.4 31.0 275 321 A P - 0 0 96 0, 0.0 -169,-0.4 0, 0.0 2,-0.1 -0.269 26.4-108.0 -67.8 150.9 22.3 9.3 30.7 276 322 A S - 0 0 42 -171,-0.1 2,-0.8 1,-0.1 -171,-0.2 -0.355 20.4-128.0 -71.9 156.9 23.6 11.0 33.8 277 323 A L > + 0 0 9 -173,-3.1 4,-1.7 1,-0.2 3,-0.1 -0.731 41.3 160.1-108.2 78.0 22.4 14.5 34.6 278 324 A D H > S+ 0 0 103 -2,-0.8 4,-1.6 1,-0.2 -1,-0.2 0.872 72.7 56.2 -67.2 -38.2 25.8 16.2 35.1 279 325 A N H > S+ 0 0 88 1,-0.2 4,-1.3 -3,-0.2 -1,-0.2 0.807 108.4 47.9 -67.3 -29.5 24.3 19.7 34.6 280 326 A A H > S+ 0 0 1 2,-0.2 4,-2.3 -176,-0.2 5,-0.3 0.854 106.3 56.2 -79.1 -36.2 21.8 19.1 37.4 281 327 A I H X S+ 0 0 8 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.866 108.3 49.6 -60.7 -37.0 24.4 17.8 39.9 282 328 A L H X S+ 0 0 108 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.918 113.1 44.7 -68.2 -46.3 26.4 21.0 39.5 283 329 A N H X S+ 0 0 36 -4,-1.3 4,-2.7 2,-0.2 -2,-0.2 0.839 113.9 48.9 -68.7 -35.3 23.5 23.3 40.0 284 330 A I H X S+ 0 0 0 -4,-2.3 4,-3.3 2,-0.2 5,-0.3 0.893 110.5 52.2 -70.5 -39.6 22.2 21.3 43.1 285 331 A R H X S+ 0 0 90 -4,-1.9 4,-1.8 -5,-0.3 -2,-0.2 0.920 114.3 43.0 -58.8 -44.1 25.7 21.4 44.5 286 332 A Q H X S+ 0 0 129 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.910 115.2 49.6 -65.0 -45.1 25.7 25.2 44.0 287 333 A F H X S+ 0 0 22 -4,-2.7 4,-2.4 -83,-0.2 -2,-0.2 0.943 113.0 45.6 -61.8 -49.5 22.1 25.5 45.3 288 334 A Q H X S+ 0 0 12 -4,-3.3 4,-2.9 1,-0.2 -1,-0.2 0.888 111.4 52.7 -60.4 -43.7 22.8 23.5 48.5 289 335 A G H X S+ 0 0 16 -4,-1.8 4,-1.8 -5,-0.3 -1,-0.2 0.910 111.5 45.9 -61.0 -44.6 26.1 25.3 49.2 290 336 A T H X S+ 0 0 14 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.884 114.4 47.7 -64.6 -44.2 24.4 28.7 49.0 291 337 A Q H X S+ 0 0 17 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.908 111.7 50.6 -63.7 -44.2 21.5 27.6 51.2 292 338 A K H X S+ 0 0 49 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.843 109.7 48.9 -68.1 -33.3 23.7 26.0 53.7 293 339 A L H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.869 108.2 53.5 -75.5 -36.7 26.0 29.1 54.1 294 340 A A H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.907 110.5 49.0 -61.3 -40.9 23.0 31.5 54.5 295 341 A Q H X S+ 0 0 43 -4,-1.7 4,-2.8 2,-0.2 5,-0.3 0.963 112.4 46.5 -59.3 -54.4 21.7 29.3 57.4 296 342 A A H X S+ 0 0 17 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.851 110.2 54.8 -59.0 -36.1 25.1 29.2 59.0 297 343 A A H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.936 112.8 42.6 -60.1 -46.6 25.3 33.0 58.6 298 344 A L H X S+ 0 0 22 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.865 114.2 49.4 -68.4 -38.4 22.0 33.4 60.4 299 345 A L H X S+ 0 0 62 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.829 110.4 51.7 -72.2 -33.4 22.8 30.9 63.1 300 346 A Y H X S+ 0 0 13 -4,-1.9 4,-1.4 -5,-0.3 -1,-0.2 0.889 110.6 47.3 -67.9 -43.4 26.1 32.5 63.8 301 347 A M H X S+ 0 0 16 -4,-1.8 4,-1.8 -5,-0.2 -2,-0.2 0.914 113.8 50.2 -62.5 -42.2 24.5 35.9 64.1 302 348 A G H X S+ 0 0 14 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.899 109.2 48.1 -62.4 -47.1 21.9 34.4 66.4 303 349 A S H X S+ 0 0 30 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.769 109.4 54.6 -71.3 -25.2 24.4 32.6 68.8 304 350 A K H X S+ 0 0 47 -4,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.899 110.3 46.4 -68.8 -42.0 26.3 35.8 69.0 305 351 A L H X S+ 0 0 90 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.938 113.0 49.4 -63.2 -45.4 23.1 37.6 70.1 306 352 A T H X S+ 0 0 49 -4,-2.9 4,-3.2 1,-0.2 5,-0.2 0.917 109.5 53.0 -58.1 -44.4 22.4 34.7 72.6 307 353 A S H X S+ 0 0 15 -4,-2.3 4,-2.8 2,-0.2 5,-0.3 0.896 106.9 50.6 -58.3 -45.2 26.0 35.0 73.9 308 354 A Q H X S+ 0 0 53 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.920 115.5 44.2 -57.2 -44.2 25.6 38.7 74.6 309 355 A D H X S+ 0 0 85 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.949 118.3 41.7 -64.6 -53.0 22.4 38.0 76.5 310 356 A E H X S+ 0 0 2 -4,-3.2 4,-2.5 1,-0.2 5,-0.2 0.798 109.8 57.3 -71.0 -31.6 23.7 35.0 78.4 311 357 A T H X S+ 0 0 42 -4,-2.8 4,-1.7 -5,-0.2 -1,-0.2 0.934 112.2 40.6 -64.8 -48.0 27.1 36.4 79.3 312 358 A K H X S+ 0 0 138 -4,-1.4 4,-1.8 -5,-0.3 -2,-0.2 0.927 116.6 50.0 -67.7 -43.6 25.6 39.5 81.0 313 359 A E H X S+ 0 0 60 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.897 109.8 49.9 -63.4 -42.4 22.8 37.4 82.7 314 360 A L H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.891 109.6 51.3 -64.4 -42.2 25.2 34.8 84.1 315 361 A T H X S+ 0 0 61 -4,-1.7 4,-2.0 -5,-0.2 -1,-0.2 0.896 111.8 47.7 -56.5 -44.9 27.5 37.4 85.5 316 362 A A H X S+ 0 0 53 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.932 108.7 53.2 -67.3 -49.2 24.5 39.1 87.3 317 363 A I H X S+ 0 0 7 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.899 112.2 46.0 -48.8 -45.6 23.2 35.8 88.7 318 364 A F H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.833 107.1 56.5 -71.8 -37.7 26.7 35.1 90.2 319 365 A H H < S+ 0 0 128 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.936 107.7 49.5 -58.4 -47.4 27.1 38.6 91.7 320 366 A K H < S+ 0 0 109 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.936 111.9 49.0 -53.7 -48.6 23.9 38.1 93.6 321 367 A M H < S+ 0 0 28 -4,-1.6 2,-2.1 -5,-0.2 -2,-0.2 0.846 91.4 82.2 -60.4 -38.4 25.2 34.7 94.8 322 368 A D < + 0 0 15 -4,-2.4 3,-0.5 1,-0.2 -1,-0.2 -0.487 57.0 169.0 -73.1 81.0 28.5 36.2 95.9 323 369 A K S S+ 0 0 194 -2,-2.1 -1,-0.2 1,-0.2 -2,-0.1 0.896 74.9 49.1 -62.8 -45.9 27.2 37.5 99.3 324 370 A N S S- 0 0 141 -3,-0.2 -1,-0.2 4,-0.2 -2,-0.1 0.618 103.5-135.9 -71.7 -14.8 30.6 38.3 100.7 325 371 A G S S+ 0 0 54 -3,-0.5 -2,-0.1 -6,-0.2 -3,-0.1 0.617 70.5 116.3 74.1 15.7 31.5 40.1 97.5 326 372 A D S S- 0 0 60 2,-0.2 -1,-0.1 0, 0.0 3,-0.1 0.405 85.7-110.9 -96.4 -0.3 35.0 38.7 97.0 327 373 A G S S+ 0 0 7 1,-0.2 51,-1.0 -8,-0.1 2,-0.7 0.549 72.9 135.0 85.2 10.5 34.3 36.8 93.7 328 374 A Q E +I 377 0D 83 49,-0.2 2,-0.3 50,-0.1 -1,-0.2 -0.833 20.1 158.3-106.2 110.6 34.6 33.4 95.3 329 375 A L E -I 376 0D 1 47,-2.7 47,-4.3 -2,-0.7 2,-0.2 -0.908 31.4-129.4-122.4 153.2 32.0 30.7 94.5 330 376 A D E >> -I 375 0D 37 -2,-0.3 4,-3.0 45,-0.3 3,-1.2 -0.612 33.5-100.4 -99.2 163.4 32.3 26.9 94.7 331 377 A R H 3> S+ 0 0 63 43,-0.7 4,-2.5 41,-0.3 5,-0.2 0.844 124.8 55.7 -48.6 -41.0 31.4 24.4 92.0 332 378 A A H 3> S+ 0 0 62 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.836 110.9 43.6 -64.1 -34.7 28.1 23.7 93.7 333 379 A E H <> S+ 0 0 61 -3,-1.2 4,-3.6 2,-0.2 5,-0.3 0.943 111.6 53.3 -73.6 -49.2 27.3 27.5 93.5 334 380 A L H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.875 111.0 48.1 -48.8 -41.4 28.5 27.7 89.9 335 381 A I H X S+ 0 0 8 -4,-2.5 4,-2.3 -5,-0.3 -1,-0.2 0.897 111.9 48.7 -67.3 -41.6 26.2 24.8 89.2 336 382 A E H X S+ 0 0 90 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.897 113.6 46.8 -64.6 -41.8 23.3 26.6 91.0 337 383 A G H X S+ 0 0 0 -4,-3.6 4,-1.8 2,-0.2 -2,-0.2 0.894 113.2 48.0 -65.3 -42.7 24.0 29.8 89.1 338 384 A Y H X S+ 0 0 0 -4,-2.4 4,-1.4 -5,-0.3 -2,-0.2 0.869 110.6 53.0 -65.9 -38.0 24.2 28.0 85.7 339 385 A K H X S+ 0 0 50 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.909 106.5 52.3 -61.1 -43.3 21.0 26.2 86.6 340 386 A E H X S+ 0 0 50 -4,-2.0 4,-0.7 1,-0.2 -2,-0.2 0.881 104.1 56.4 -64.0 -37.3 19.3 29.5 87.3 341 387 A L H >< S+ 0 0 0 -4,-1.8 3,-0.6 1,-0.2 -1,-0.2 0.881 110.3 45.7 -58.6 -38.8 20.4 30.8 83.9 342 388 A M H >< S+ 0 0 31 -4,-1.4 3,-1.4 1,-0.2 -2,-0.2 0.819 99.9 69.3 -72.6 -31.1 18.6 27.7 82.4 343 389 A R H 3< S+ 0 0 157 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.713 114.4 27.9 -56.1 -21.1 15.6 28.5 84.7 344 390 A M T << S+ 0 0 90 -4,-0.7 2,-0.3 -3,-0.6 -1,-0.3 0.005 117.3 60.4-132.9 27.2 14.9 31.6 82.5 345 391 A K < - 0 0 50 -3,-1.4 3,-0.1 3,-0.1 -1,-0.1 -0.981 49.8-164.4-158.1 145.1 16.4 30.7 79.1 346 392 A G + 0 0 25 -2,-0.3 3,-0.2 1,-0.1 -4,-0.1 0.351 63.9 98.5-115.9 4.2 15.7 28.0 76.5 347 393 A Q S S+ 0 0 52 1,-0.2 2,-0.7 2,-0.1 3,-0.2 0.661 76.9 63.7 -74.3 -18.0 18.8 28.0 74.2 348 394 A D > + 0 0 13 1,-0.2 3,-1.4 -3,-0.1 -1,-0.2 -0.673 49.9 153.9-106.0 72.4 20.4 25.1 75.9 349 395 A A T 3 S+ 0 0 10 -2,-0.7 3,-0.2 1,-0.2 -1,-0.2 0.590 74.5 70.1 -65.7 -13.8 17.9 22.3 75.2 350 396 A S T 3 S+ 0 0 43 1,-0.2 2,-1.1 -3,-0.2 -1,-0.2 0.675 83.7 70.1 -72.8 -21.6 21.2 20.3 75.6 351 397 A M < + 0 0 31 -3,-1.4 -1,-0.2 1,-0.2 -3,-0.1 -0.488 62.8 156.8 -95.2 63.9 21.0 21.1 79.3 352 398 A L - 0 0 33 -2,-1.1 2,-0.3 -3,-0.2 -1,-0.2 0.792 59.8 -3.0 -64.5 -33.2 18.0 18.9 80.0 353 399 A D S >> S- 0 0 46 -3,-0.2 3,-1.2 -347,-0.1 4,-1.1 -0.900 85.3 -77.5-151.2 178.7 18.5 18.4 83.7 354 400 A A H 3> S+ 0 0 41 -2,-0.3 4,-1.8 1,-0.3 3,-0.1 0.791 123.9 52.6 -49.9 -35.5 20.7 19.0 86.7 355 401 A S H 3> S+ 0 0 76 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.705 102.0 57.0 -82.7 -22.0 23.2 16.4 85.7 356 402 A A H <> S+ 0 0 29 -3,-1.2 4,-1.2 2,-0.2 -1,-0.2 0.763 111.5 46.1 -70.4 -27.5 23.7 17.8 82.2 357 403 A V H X S+ 0 0 4 -4,-1.1 4,-2.0 2,-0.2 -2,-0.2 0.843 106.6 55.1 -86.9 -38.1 24.7 21.0 83.9 358 404 A E H X S+ 0 0 61 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.921 112.6 45.3 -58.2 -44.5 27.1 19.4 86.5 359 405 A H H X S+ 0 0 117 -4,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.871 111.3 51.5 -64.0 -41.6 29.0 17.8 83.6 360 406 A E H X S+ 0 0 24 -4,-1.2 4,-1.8 2,-0.2 -1,-0.2 0.808 109.7 49.8 -71.2 -28.4 29.0 21.0 81.5 361 407 A V H X S+ 0 0 0 -4,-2.0 4,-3.5 2,-0.2 5,-0.2 0.920 109.8 52.4 -71.0 -44.4 30.4 23.0 84.5 362 408 A D H X S+ 0 0 31 -4,-2.1 4,-3.1 2,-0.2 -2,-0.2 0.887 108.1 50.8 -57.0 -42.1 33.1 20.3 84.9 363 409 A Q H < S+ 0 0 78 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.948 113.5 43.7 -62.0 -49.9 34.0 20.6 81.2 364 410 A V H >X S+ 0 0 0 -4,-1.8 4,-2.1 1,-0.2 3,-1.4 0.965 117.2 47.5 -56.9 -51.9 34.4 24.4 81.5 365 411 A L H 3X S+ 0 0 8 -4,-3.5 4,-0.8 1,-0.3 -2,-0.2 0.868 104.6 59.4 -56.4 -41.7 36.3 23.9 84.9 366 412 A D H 3< S+ 0 0 110 -4,-3.1 -1,-0.3 -5,-0.2 -2,-0.1 0.081 111.3 43.2 -81.0 25.1 38.5 21.2 83.3 367 413 A A H <4 S+ 0 0 63 -3,-1.4 -2,-0.2 3,-0.1 -1,-0.2 0.487 104.2 57.7-125.6 -53.2 39.7 23.8 80.8 368 414 A V H < S- 0 0 39 -4,-2.1 2,-0.6 1,-0.1 -2,-0.2 0.573 102.6-137.7 -53.3 -13.9 40.2 26.9 83.0 369 415 A D < + 0 0 90 -4,-0.8 -1,-0.1 -5,-0.2 3,-0.1 -0.052 58.3 126.9 86.7 -32.5 42.6 24.5 84.9 370 416 A F - 0 0 54 -2,-0.6 -1,-0.2 1,-0.1 2,-0.1 -0.166 68.9 -89.8 -64.5 154.8 41.6 25.5 88.4 371 417 A D > - 0 0 111 1,-0.1 3,-0.6 4,-0.1 -1,-0.1 -0.385 23.0-151.7 -71.8 136.5 40.5 22.8 91.0 372 418 A K T 3 S+ 0 0 63 1,-0.2 -41,-0.3 -2,-0.1 -1,-0.1 0.434 90.8 62.5 -88.8 -2.3 36.8 21.9 91.2 373 419 A N T 3 S+ 0 0 137 2,-0.1 -1,-0.2 -43,-0.1 2,-0.2 0.339 103.8 53.9-101.7 3.9 36.9 20.9 95.0 374 420 A G S < S- 0 0 32 -3,-0.6 -43,-0.7 1,-0.1 2,-0.2 -0.475 101.7 -68.2-115.7-168.6 37.9 24.4 96.1 375 421 A Y E -I 330 0D 149 -2,-0.2 2,-0.3 -45,-0.2 -45,-0.3 -0.572 50.9-149.8 -86.3 152.5 36.4 27.9 95.6 376 422 A I E -I 329 0D 17 -47,-4.3 -47,-2.7 -2,-0.2 2,-1.2 -0.907 22.0-117.7-133.4 150.8 36.5 29.6 92.1 377 423 A E E >> -I 328 0D 83 -2,-0.3 3,-2.2 -49,-0.2 4,-1.2 -0.701 27.4-163.8 -86.1 90.6 36.7 33.0 90.5 378 424 A Y H 3> S+ 0 0 26 -2,-1.2 4,-2.7 -51,-1.0 5,-0.2 0.712 82.5 70.2 -53.8 -28.1 33.4 33.0 88.6 379 425 A S H 3> S+ 0 0 55 -52,-0.3 4,-1.4 2,-0.2 -1,-0.3 0.909 103.8 43.4 -51.5 -44.0 34.5 35.9 86.4 380 426 A E H <> S+ 0 0 103 -3,-2.2 4,-1.0 1,-0.2 -2,-0.2 0.940 111.4 52.8 -69.7 -49.8 36.9 33.4 84.7 381 427 A F H X S+ 0 0 5 -4,-1.2 4,-2.3 1,-0.2 3,-0.5 0.859 107.1 53.5 -52.5 -42.0 34.3 30.6 84.5 382 428 A V H X S+ 0 0 4 -4,-2.7 4,-1.5 1,-0.2 5,-0.2 0.914 104.7 54.1 -62.4 -42.9 31.8 33.0 82.7 383 429 A T H X S+ 0 0 88 -4,-1.4 4,-0.5 -5,-0.2 -1,-0.2 0.706 116.1 37.7 -69.6 -20.4 34.3 34.0 80.0 384 430 A V H X S+ 0 0 45 -4,-1.0 4,-1.4 -3,-0.5 -1,-0.2 0.825 107.3 62.4 -96.8 -40.2 35.0 30.3 79.0 385 431 A A H < S+ 0 0 0 -4,-2.3 3,-0.3 1,-0.2 -2,-0.2 0.894 108.2 43.0 -50.4 -47.2 31.6 28.8 79.4 386 432 A M H >X S+ 0 0 1 -4,-1.5 4,-1.3 1,-0.2 3,-1.3 0.909 104.9 61.0 -74.0 -44.0 30.0 31.0 76.7 387 433 A D H 3X>S+ 0 0 72 -4,-0.5 4,-3.1 1,-0.3 5,-1.0 0.778 85.5 77.5 -52.8 -30.4 32.9 30.8 74.2 388 434 A R H 3<5S+ 0 0 95 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.1 0.252 108.6 32.6 -66.2 14.2 32.2 27.0 74.1 389 435 A K H <>5S+ 0 0 53 -3,-1.3 4,-2.9 3,-0.1 -2,-0.3 0.383 118.5 52.9-129.9 -35.8 29.4 28.3 71.9 390 436 A T H X5S+ 0 0 49 -4,-1.3 4,-3.0 2,-0.2 -2,-0.2 0.958 120.4 32.8 -59.4 -58.1 31.3 31.3 70.4 391 437 A L H X5S+ 0 0 61 -4,-3.1 4,-2.5 2,-0.2 5,-0.2 0.925 119.8 54.4 -64.5 -45.4 34.2 29.2 69.2 392 438 A L H >< S+ 0 0 111 -4,-2.4 3,-0.6 1,-0.2 6,-0.2 0.940 112.5 51.7 -59.5 -50.6 34.9 26.5 53.0 403 449 A M H 3< S+ 0 0 134 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.917 110.8 49.0 -52.7 -45.6 32.2 24.2 51.6 404 450 A F H 3< S+ 0 0 24 -4,-2.2 2,-1.6 1,-0.2 -1,-0.2 0.796 97.8 71.3 -64.3 -31.0 30.7 27.1 49.6 405 451 A D X< + 0 0 13 -4,-1.6 3,-2.0 -3,-0.6 -1,-0.2 -0.560 61.8 169.2 -89.0 72.3 34.2 28.0 48.2 406 452 A S T 3 S+ 0 0 93 -2,-1.6 -1,-0.2 1,-0.3 -2,-0.1 0.716 72.7 54.2 -65.2 -22.6 34.5 25.0 45.9 407 453 A D T 3 S- 0 0 142 -3,-0.2 -1,-0.3 0, 0.0 -2,-0.1 0.391 104.4-127.7 -87.5 2.9 37.5 26.4 44.0 408 454 A N < + 0 0 140 -3,-2.0 -2,-0.1 -6,-0.2 -6,-0.0 0.864 62.6 142.2 49.9 42.5 39.5 26.9 47.3 409 455 A S - 0 0 72 2,-0.2 -1,-0.1 -4,-0.0 3,-0.1 0.691 61.1-129.3 -82.6 -20.9 40.1 30.5 46.2 410 456 A G S S+ 0 0 21 1,-0.2 38,-0.5 -5,-0.2 2,-0.3 0.366 75.6 87.8 87.4 -2.8 39.7 31.8 49.8 411 457 A K - 0 0 71 36,-0.2 2,-0.4 37,-0.1 -1,-0.2 -0.872 61.4-148.3-133.7 157.3 37.2 34.4 48.7 412 458 A I E -J 446 0E 0 34,-1.9 34,-1.8 -2,-0.3 -7,-0.0 -0.997 30.5-128.8-123.8 128.0 33.5 35.1 48.0 413 459 A S E > -J 445 0E 38 -2,-0.4 4,-2.4 32,-0.2 32,-0.3 -0.187 21.7-110.3 -73.9 166.0 32.7 37.6 45.2 414 460 A S H > S+ 0 0 34 30,-2.0 4,-1.9 2,-0.2 31,-0.1 0.804 121.7 54.4 -61.0 -31.3 30.3 40.5 45.5 415 461 A T H > S+ 0 0 108 29,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.919 109.0 47.3 -68.3 -44.7 27.9 38.6 43.2 416 462 A E H > S+ 0 0 69 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.876 109.3 53.3 -66.3 -40.2 28.0 35.6 45.5 417 463 A L H X S+ 0 0 0 -4,-2.4 4,-3.1 2,-0.2 5,-0.3 0.919 105.4 55.0 -58.3 -44.3 27.4 37.8 48.6 418 464 A A H X S+ 0 0 44 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.913 111.2 45.6 -55.3 -41.9 24.3 39.3 46.9 419 465 A T H X S+ 0 0 71 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.898 114.0 47.1 -67.4 -45.6 23.0 35.7 46.5 420 466 A I H X S+ 0 0 0 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.899 116.0 45.2 -64.0 -41.6 23.9 34.7 50.1 421 467 A F H <>S+ 0 0 0 -4,-3.1 5,-2.3 2,-0.2 4,-0.3 0.790 108.4 56.6 -76.3 -27.9 22.3 37.8 51.5 422 468 A G H ><5S+ 0 0 13 -4,-1.9 3,-1.4 -5,-0.3 -209,-0.4 0.965 111.2 43.5 -61.1 -50.6 19.2 37.5 49.3 423 469 A V H 3<5S+ 0 0 26 -4,-2.0 -252,-0.2 1,-0.3 -2,-0.2 0.818 114.8 51.0 -64.3 -28.0 18.6 34.0 50.7 424 470 A S T 3<5S- 0 0 2 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.455 109.0-125.8 -88.1 -3.0 19.3 35.3 54.2 425 471 A D T < 5 + 0 0 77 -3,-1.4 2,-0.6 -4,-0.3 -3,-0.2 0.829 56.1 150.6 56.3 36.4 16.9 38.3 53.8 426 472 A V < - 0 0 26 -5,-2.3 -1,-0.2 -6,-0.1 -2,-0.1 -0.894 55.4-105.3 -94.9 126.5 19.5 40.9 54.6 427 473 A D > - 0 0 93 -2,-0.6 4,-2.2 1,-0.1 3,-0.5 -0.208 20.7-130.6 -56.9 134.0 18.6 44.1 52.8 428 474 A S H > S+ 0 0 59 1,-0.3 4,-1.9 2,-0.2 5,-0.2 0.874 108.9 46.7 -56.8 -43.6 20.9 44.9 49.8 429 475 A E H > S+ 0 0 66 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.848 110.9 55.5 -65.5 -32.4 21.6 48.4 50.9 430 476 A T H > S+ 0 0 65 -3,-0.5 4,-1.7 2,-0.2 -2,-0.2 0.899 111.9 39.2 -71.3 -41.9 22.3 47.2 54.5 431 477 A W H X S+ 0 0 4 -4,-2.2 4,-3.1 2,-0.2 -1,-0.2 0.843 114.4 52.9 -80.6 -32.4 25.0 44.6 53.6 432 478 A K H X S+ 0 0 96 -4,-1.9 4,-2.6 -5,-0.3 -2,-0.2 0.962 109.1 51.4 -60.3 -48.8 26.6 46.8 50.9 433 479 A S H X S+ 0 0 73 -4,-2.1 4,-1.2 -5,-0.2 -2,-0.2 0.917 113.3 44.5 -50.0 -48.7 26.8 49.5 53.6 434 480 A V H X S+ 0 0 12 -4,-1.7 4,-0.6 1,-0.2 -1,-0.2 0.890 108.4 57.1 -66.5 -42.4 28.5 46.9 55.9 435 481 A L H >X S+ 0 0 19 -4,-3.1 4,-3.6 1,-0.2 3,-1.6 0.925 104.2 54.3 -51.1 -47.2 30.8 45.7 53.1 436 482 A S H 3< S+ 0 0 81 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.870 101.9 57.3 -57.5 -39.5 32.1 49.3 52.7 437 483 A E H 3< S+ 0 0 107 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.610 123.3 23.4 -69.7 -12.3 33.0 49.5 56.4 438 484 A V H << S+ 0 0 28 -3,-1.6 2,-1.0 -4,-0.6 -2,-0.2 0.705 116.8 58.1-121.0 -43.1 35.3 46.4 56.0 439 485 A D < + 0 0 17 -4,-3.6 3,-0.3 -5,-0.2 -1,-0.2 -0.780 54.8 158.4 -93.5 93.4 36.3 46.1 52.3 440 486 A K + 0 0 164 -2,-1.0 -1,-0.1 1,-0.2 -4,-0.1 0.209 63.0 67.6 -97.5 12.1 38.0 49.5 51.6 441 487 A N S S- 0 0 112 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.498 98.4-124.5-110.5 -8.2 40.0 48.3 48.6 442 488 A N + 0 0 150 -3,-0.3 -2,-0.1 -6,-0.1 -6,-0.0 0.838 59.1 147.2 61.9 36.4 37.2 47.7 46.1 443 489 A D - 0 0 71 2,-0.2 -29,-0.1 1,-0.1 3,-0.1 0.839 52.0-139.5 -64.6 -31.9 38.3 44.1 45.6 444 490 A G S S+ 0 0 30 1,-0.3 -30,-2.0 -31,-0.1 2,-0.3 0.802 75.3 78.7 67.6 30.8 34.7 43.1 45.2 445 491 A E E -J 413 0E 75 -32,-0.3 2,-0.3 -31,-0.1 -1,-0.3 -0.959 62.9-153.6-161.6 152.8 35.5 40.0 47.2 446 492 A V E -J 412 0E 2 -34,-1.8 -34,-1.9 -2,-0.3 2,-0.1 -0.966 10.0-139.8-132.4 147.6 35.9 39.1 50.9 447 493 A D > - 0 0 56 -2,-0.3 4,-2.7 -36,-0.2 5,-0.2 -0.320 44.5 -84.6 -93.0-176.4 37.9 36.4 52.7 448 494 A F H > S+ 0 0 24 -38,-0.5 4,-2.9 1,-0.2 5,-0.2 0.922 126.5 46.3 -60.0 -51.4 36.6 34.4 55.7 449 495 A D H > S+ 0 0 80 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.868 114.8 49.1 -62.0 -38.4 37.6 36.9 58.5 450 496 A E H > S+ 0 0 49 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.934 111.5 48.0 -60.8 -51.7 36.1 39.8 56.4 451 497 A F H X S+ 0 0 0 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.890 112.1 51.1 -56.5 -42.8 32.9 37.9 55.8 452 498 A Q H X S+ 0 0 35 -4,-2.9 4,-1.9 -5,-0.2 -1,-0.2 0.903 107.6 52.4 -60.3 -44.2 32.8 37.1 59.5 453 499 A Q H X S+ 0 0 70 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.885 105.5 55.4 -60.4 -40.5 33.3 40.8 60.4 454 500 A M H X S+ 0 0 1 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.934 107.7 49.1 -57.0 -44.1 30.3 41.7 58.1 455 501 A L H < S+ 0 0 0 -4,-1.6 4,-0.5 1,-0.2 -2,-0.2 0.862 107.8 52.8 -67.5 -36.8 28.1 39.4 60.1 456 502 A L H ><>S+ 0 0 41 -4,-1.9 5,-2.0 1,-0.2 3,-0.5 0.847 111.0 48.6 -64.4 -33.4 29.2 40.8 63.4 457 503 A K H ><5S+ 0 0 64 -4,-1.8 3,-0.8 4,-0.2 -2,-0.2 0.733 106.6 56.6 -77.6 -23.3 28.3 44.2 62.1 458 504 A L T 3<5S+ 0 0 36 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.494 108.0 47.7 -84.2 -7.2 24.9 42.9 60.9 459 505 A C T < 5S- 0 0 13 -3,-0.5 -1,-0.2 -4,-0.5 -2,-0.1 -0.167 130.5 -87.4-124.9 39.7 24.0 41.8 64.4 460 506 A G T < 5 0 0 64 -3,-0.8 -3,-0.2 1,-0.1 -2,-0.1 0.822 360.0 360.0 67.5 40.7 25.0 45.0 66.1 461 507 A N < 0 0 86 -5,-2.0 -4,-0.2 -8,-0.1 -3,-0.1 -0.177 360.0 360.0-137.0 360.0 28.7 44.4 66.8