==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 12-AUG-13 4M84 . COMPND 2 MOLECULE: CALMODULIN-DOMAIN PROTEIN KINASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: TOXOPLASMA GONDII; . AUTHOR E.A.MERRITT . 464 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23026.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 328 70.7 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 . 51 11.0 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 . 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 . 23 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 197 42.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 2 3 1 0 0 0 4 2 0 0 1 2 0 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 2 2 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 44 A T 0 0 178 0, 0.0 2,-0.4 0, 0.0 74,-0.0 0.000 360.0 360.0 360.0 139.4 6.3 13.0 84.1 2 45 A A - 0 0 63 74,-0.1 2,-0.6 4,-0.0 74,-0.4 -0.750 360.0-140.5 -87.0 136.7 9.4 11.4 82.6 3 46 A I >> - 0 0 96 -2,-0.4 3,-1.8 1,-0.1 4,-0.7 -0.883 2.7-145.1-105.6 117.8 12.6 13.4 82.8 4 47 A F H >> S+ 0 0 7 -2,-0.6 4,-2.2 1,-0.3 3,-1.4 0.861 96.8 49.0 -44.9 -53.8 14.9 13.4 79.8 5 48 A S H 34 S+ 0 0 30 1,-0.3 -1,-0.3 2,-0.2 5,-0.0 0.558 100.4 66.2 -73.7 -8.1 18.3 13.6 81.7 6 49 A D H <4 S+ 0 0 114 -3,-1.8 -1,-0.3 1,-0.1 -2,-0.2 0.718 115.9 28.7 -73.4 -25.1 17.3 10.8 84.0 7 50 A R H << S+ 0 0 104 -3,-1.4 21,-2.7 -4,-0.7 22,-0.4 0.739 122.7 43.0-106.3 -31.5 17.3 8.5 81.0 8 51 A Y E < -A 27 0A 12 -4,-2.2 2,-0.4 19,-0.3 19,-0.2 -0.931 56.5-156.6-124.6 142.4 19.9 10.0 78.6 9 52 A K E -A 26 0A 101 17,-2.3 17,-2.1 -2,-0.4 2,-0.3 -0.957 27.8-119.7-110.5 135.7 23.4 11.6 79.0 10 53 A G E +A 25 0A 39 -2,-0.4 15,-0.2 15,-0.2 3,-0.1 -0.568 29.4 177.8 -68.7 132.1 24.7 14.0 76.4 11 54 A Q E - 0 0 84 13,-3.3 2,-0.3 1,-0.4 14,-0.2 0.838 59.0 -34.6 -99.6 -53.6 27.9 12.8 74.7 12 55 A R E -A 24 0A 149 12,-1.4 12,-3.1 0, 0.0 -1,-0.4 -0.980 63.7 -86.2-167.4 162.2 28.6 15.5 72.2 13 56 A V E -A 23 0A 53 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.625 29.3-176.5 -81.5 132.8 27.0 18.1 69.8 14 57 A L E - 0 0 62 8,-2.3 2,-0.3 1,-0.4 9,-0.2 0.838 55.7 -69.2 -95.7 -46.0 26.2 16.8 66.3 15 58 A G E -A 22 0A 31 7,-1.9 7,-3.2 2,-0.0 2,-0.4 -0.984 43.9 -81.6 177.1-163.6 25.0 20.0 64.8 16 59 A K E +A 21 0A 99 -2,-0.3 5,-0.2 5,-0.3 2,-0.2 -0.987 46.5 162.1-128.8 127.2 22.4 22.7 64.7 17 60 A G E > -A 20 0A 22 3,-2.8 3,-0.9 -2,-0.4 2,-0.1 -0.548 48.1 -40.2-129.7-163.4 19.2 22.4 62.7 18 61 A S T 3 S+ 0 0 31 1,-0.2 -1,-0.2 -2,-0.2 143,-0.0 -0.457 126.1 8.0 -64.0 136.2 15.8 23.8 62.3 19 62 A F T 3 S- 0 0 17 -2,-0.1 21,-0.5 24,-0.1 2,-0.3 0.191 128.9 -43.3 73.7 -12.5 14.3 24.7 65.7 20 63 A G E < S-AB 17 39A 6 -3,-0.9 -3,-2.8 19,-0.2 19,-0.2 -0.972 81.2 -25.0 159.8-159.9 17.5 24.0 67.7 21 64 A E E -AB 16 38A 53 17,-0.8 17,-3.0 -2,-0.3 2,-0.5 -0.424 40.3-144.0 -84.2 149.9 20.6 21.9 68.5 22 65 A V E -AB 15 37A 29 -7,-3.2 -8,-2.3 15,-0.2 -7,-1.9 -0.983 20.3-169.8-115.4 127.6 21.0 18.2 67.9 23 66 A I E -AB 13 36A 2 13,-2.5 13,-3.0 -2,-0.5 2,-0.5 -0.928 24.5-125.0-119.6 134.3 23.0 16.4 70.5 24 67 A L E -AB 12 35A 8 -12,-3.1 -13,-3.3 -2,-0.4 -12,-1.4 -0.752 42.3-177.2 -80.2 126.5 24.3 12.8 70.4 25 68 A C E -AB 10 34A 0 9,-3.4 9,-2.7 -2,-0.5 2,-0.4 -0.802 19.2-147.0-129.5 158.4 22.9 11.2 73.5 26 69 A K E -AB 9 33A 65 -17,-2.1 -17,-2.3 -2,-0.3 7,-0.2 -0.996 22.9-117.6-133.8 132.0 23.2 7.8 75.2 27 70 A D E > -A 8 0A 8 5,-2.6 4,-1.5 -2,-0.4 -19,-0.3 -0.483 24.7-138.6 -62.6 125.7 20.7 5.8 77.3 28 71 A K T 4 S+ 0 0 100 -21,-2.7 -1,-0.1 -2,-0.2 -20,-0.1 0.547 96.7 27.9 -66.7 -8.5 22.2 5.4 80.8 29 72 A I T 4 S+ 0 0 158 -22,-0.4 -1,-0.2 3,-0.1 -21,-0.1 0.763 127.8 33.1-114.5 -53.2 21.1 1.8 81.0 30 73 A T T 4 S- 0 0 96 2,-0.1 -2,-0.1 1,-0.0 3,-0.1 0.548 91.2-130.1 -88.4 -11.0 20.9 0.2 77.6 31 74 A G < + 0 0 34 -4,-1.5 2,-0.1 1,-0.2 -3,-0.1 0.450 49.3 159.5 74.5 1.9 23.8 2.1 75.9 32 75 A Q - 0 0 119 -6,-0.1 -5,-2.6 1,-0.1 2,-0.3 -0.371 33.7-139.6 -63.4 127.3 21.5 3.0 73.0 33 76 A E E +B 26 0A 80 -7,-0.2 54,-0.3 -2,-0.1 2,-0.3 -0.657 27.9 173.8 -84.9 142.7 22.8 6.1 71.1 34 77 A C E -B 25 0A 3 -9,-2.7 -9,-3.4 -2,-0.3 2,-0.6 -0.986 33.8-123.0-148.7 157.0 20.3 8.6 69.8 35 78 A A E -BC 24 85A 15 50,-2.5 50,-3.1 -2,-0.3 2,-0.6 -0.910 30.5-162.8-102.2 120.0 20.2 12.0 68.2 36 79 A V E -BC 23 84A 0 -13,-3.0 -13,-2.5 -2,-0.6 2,-0.6 -0.921 10.2-153.2-112.3 118.2 18.2 14.5 70.3 37 80 A K E -BC 22 83A 18 46,-2.7 46,-2.7 -2,-0.6 2,-0.6 -0.821 14.8-155.6 -86.6 122.5 16.8 17.7 68.9 38 81 A V E -BC 21 82A 5 -17,-3.0 -17,-0.8 -2,-0.6 2,-0.7 -0.886 5.7-163.6-105.1 113.1 16.5 20.1 71.7 39 82 A I E -BC 20 81A 0 42,-3.0 42,-2.1 -2,-0.6 2,-0.6 -0.872 12.0-142.7-104.2 113.8 13.9 22.8 71.1 40 83 A S E >> - C 0 80A 9 -2,-0.7 4,-1.8 -21,-0.5 3,-1.0 -0.661 3.8-150.3 -76.0 115.1 14.2 25.9 73.4 41 84 A K T 34 S+ 0 0 59 38,-2.3 -1,-0.1 -2,-0.6 39,-0.1 0.770 96.0 55.0 -57.4 -30.1 10.7 27.1 74.3 42 85 A R T 34 S+ 0 0 160 37,-0.5 -1,-0.3 1,-0.2 3,-0.1 0.793 114.0 37.8 -74.0 -31.6 12.0 30.7 74.6 43 86 A Q T <4 S+ 0 0 93 -3,-1.0 2,-0.5 1,-0.2 -2,-0.2 0.669 119.0 49.7 -89.6 -21.9 13.5 30.8 71.1 44 87 A V S < S- 0 0 11 -4,-1.8 2,-0.3 118,-0.1 -1,-0.2 -0.966 72.8-151.4-130.4 111.4 10.8 28.8 69.3 45 88 A K - 0 0 156 -2,-0.5 115,-2.7 115,-0.2 2,-0.3 -0.605 20.3-121.5 -77.3 141.5 7.1 29.6 69.7 46 89 A Q B -E 159 0B 60 -2,-0.3 113,-0.3 113,-0.2 112,-0.1 -0.639 15.8-165.4 -77.2 138.5 4.5 26.8 69.3 47 90 A K S S+ 0 0 76 111,-2.3 2,-0.2 -2,-0.3 112,-0.2 0.711 74.3 43.3 -92.6 -27.2 1.8 27.2 66.6 48 91 A T S S- 0 0 38 110,-0.8 2,-0.2 1,-0.1 -2,-0.1 -0.474 91.3 -96.4-108.6 179.7 -0.5 24.5 68.0 49 92 A D > - 0 0 85 -2,-0.2 4,-2.1 1,-0.1 3,-0.2 -0.495 37.7-101.6 -96.2 170.5 -1.7 23.6 71.4 50 93 A K H > S+ 0 0 105 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.923 120.2 55.5 -57.1 -47.9 -0.3 20.9 73.7 51 94 A E H > S+ 0 0 104 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.875 110.0 46.4 -52.5 -44.1 -3.0 18.4 73.0 52 95 A S H > S+ 0 0 45 -3,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.869 111.8 50.2 -70.5 -39.5 -2.3 18.6 69.2 53 96 A L H X S+ 0 0 6 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.935 110.1 50.2 -63.8 -46.6 1.5 18.3 69.7 54 97 A L H X S+ 0 0 82 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.868 110.3 50.9 -62.2 -35.3 1.1 15.2 71.9 55 98 A R H X S+ 0 0 183 -4,-1.6 4,-1.7 -5,-0.2 -1,-0.2 0.915 111.2 46.9 -69.6 -41.7 -1.2 13.5 69.3 56 99 A E H X S+ 0 0 38 -4,-2.0 4,-3.6 2,-0.2 5,-0.2 0.942 112.7 50.6 -62.9 -46.0 1.2 14.2 66.4 57 100 A V H X S+ 0 0 14 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.928 108.4 51.9 -56.6 -47.7 4.1 12.9 68.5 58 101 A Q H < S+ 0 0 102 -4,-2.3 4,-0.4 1,-0.2 -1,-0.2 0.855 113.9 43.8 -59.4 -36.2 2.2 9.8 69.4 59 102 A L H >X S+ 0 0 60 -4,-1.7 3,-2.0 2,-0.2 4,-0.8 0.958 109.8 54.7 -73.0 -51.5 1.5 9.1 65.7 60 103 A L H >< S+ 0 0 22 -4,-3.6 3,-1.1 1,-0.3 11,-0.4 0.883 102.6 58.6 -50.6 -38.3 5.1 9.9 64.5 61 104 A K T 3< S+ 0 0 67 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.742 106.1 49.4 -64.2 -22.7 6.4 7.3 67.0 62 105 A Q T <4 S+ 0 0 127 -3,-2.0 -1,-0.2 -4,-0.4 2,-0.2 0.532 90.9 92.9 -96.1 -11.2 4.3 4.6 65.3 63 106 A L << - 0 0 17 -3,-1.1 2,-0.3 -4,-0.8 8,-0.3 -0.621 50.6-177.3 -84.5 144.5 5.4 5.3 61.7 64 107 A D + 0 0 106 -2,-0.2 5,-0.1 6,-0.1 6,-0.1 -0.939 13.1 151.9-144.7 120.1 8.3 3.5 60.2 65 108 A H > - 0 0 35 3,-0.4 3,-1.8 -2,-0.3 53,-0.1 -0.981 47.9-123.7-145.6 144.9 9.7 4.0 56.7 66 109 A P T 3 S+ 0 0 69 0, 0.0 4,-0.1 0, 0.0 52,-0.1 0.729 111.3 44.4 -63.0 -15.5 13.3 3.4 55.4 67 110 A N T 3 S+ 0 0 3 82,-0.1 83,-2.7 47,-0.1 2,-0.5 0.238 99.4 80.9-112.8 13.0 13.6 7.0 54.2 68 111 A I B < S-f 150 0C 14 -3,-1.8 -3,-0.4 81,-0.3 83,-0.2 -0.971 87.1-109.9-120.4 129.9 12.1 8.8 57.2 69 112 A M - 0 0 55 81,-2.4 2,-0.4 -2,-0.5 -2,-0.1 -0.353 37.7-122.0 -53.1 135.8 14.0 9.5 60.3 70 113 A K - 0 0 28 -4,-0.1 16,-2.0 -6,-0.1 2,-0.5 -0.712 19.1-152.2 -86.9 129.4 12.7 7.3 63.2 71 114 A L E +D 85 0A 17 -11,-0.4 14,-0.3 -2,-0.4 3,-0.1 -0.897 19.4 171.2 -99.3 130.0 11.4 9.1 66.3 72 115 A Y E + 0 0 84 12,-3.3 2,-0.3 -2,-0.5 13,-0.2 0.804 57.0 5.8-104.3 -44.6 11.7 7.1 69.5 73 116 A E E -D 84 0A 55 11,-2.0 11,-3.1 2,-0.0 2,-0.4 -0.978 48.9-155.1-149.3 158.8 10.8 9.4 72.3 74 117 A F E +D 83 0A 26 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.990 14.5 176.7-142.6 132.1 9.5 12.8 73.3 75 118 A F E -D 82 0A 14 7,-2.3 7,-2.8 -2,-0.4 2,-0.4 -0.929 7.6-167.7-135.2 156.2 10.0 14.8 76.5 76 119 A E E +D 81 0A 43 -74,-0.4 2,-0.2 -2,-0.3 5,-0.2 -0.997 10.7 166.3-144.6 130.1 9.1 18.2 77.7 77 120 A D - 0 0 65 3,-2.4 -74,-0.0 -2,-0.4 -2,-0.0 -0.628 57.3 -73.0-122.5-165.1 10.2 20.2 80.7 78 121 A K S S+ 0 0 198 -2,-0.2 3,-0.0 1,-0.2 -2,-0.0 0.835 128.0 24.4 -53.2 -43.7 9.8 23.8 81.7 79 122 A G S S+ 0 0 24 1,-0.1 -38,-2.3 -38,-0.1 -37,-0.5 0.612 120.3 25.1-104.8 -15.0 12.3 25.2 79.2 80 123 A Y E -C 40 0A 50 -40,-0.2 -3,-2.4 -39,-0.1 2,-0.4 -0.950 51.5-131.9-151.2 159.3 12.5 22.7 76.4 81 124 A F E -CD 39 76A 1 -42,-2.1 -42,-3.0 -2,-0.3 2,-0.5 -0.941 25.0-157.4-109.8 143.3 11.2 19.9 74.1 82 125 A Y E -CD 38 75A 15 -7,-2.8 -7,-2.3 -2,-0.4 2,-0.6 -0.974 4.5-167.4-126.7 113.3 13.4 17.0 73.5 83 126 A L E -CD 37 74A 16 -46,-2.7 -46,-2.7 -2,-0.5 2,-0.7 -0.907 10.1-157.0-105.3 117.4 12.8 14.9 70.4 84 127 A V E +CD 36 73A 0 -11,-3.1 -12,-3.3 -2,-0.6 -11,-2.0 -0.862 24.1 157.0-106.2 115.3 14.7 11.7 70.5 85 128 A G E -CD 35 71A 0 -50,-3.1 -50,-2.5 -2,-0.7 -14,-0.2 -0.632 45.9 -74.4-128.4 177.5 15.5 10.0 67.2 86 129 A E - 0 0 54 -16,-2.0 2,-0.4 -52,-0.2 -52,-0.2 -0.472 48.7-123.5 -72.0 146.3 17.8 7.6 65.5 87 130 A V - 0 0 31 -54,-0.3 2,-0.4 -2,-0.1 -54,-0.1 -0.796 23.3-166.2 -98.2 135.0 21.3 8.9 64.8 88 131 A Y - 0 0 24 -2,-0.4 53,-0.2 1,-0.1 3,-0.2 -0.965 8.3-169.0-121.6 143.4 22.6 8.8 61.2 89 132 A T + 0 0 102 51,-1.9 52,-0.2 -2,-0.4 51,-0.2 0.263 63.1 89.9-120.3 4.3 26.3 9.4 60.4 90 133 A G S S- 0 0 17 49,-2.2 50,-0.2 1,-0.2 -1,-0.1 0.597 80.2-142.1 -82.6 -12.5 26.5 9.8 56.6 91 134 A G E -G 139 0C 36 48,-0.5 48,-2.3 -3,-0.2 -1,-0.2 -0.239 44.9 -21.3 83.5-174.3 26.0 13.6 56.7 92 135 A E E >> -G 138 0C 46 46,-0.2 4,-1.5 1,-0.1 3,-0.7 -0.489 59.9-125.1 -71.9 138.5 24.1 15.8 54.4 93 136 A L H 3> S+ 0 0 1 44,-2.6 4,-3.0 41,-0.5 3,-0.5 0.881 107.9 51.2 -44.4 -53.2 23.4 14.5 50.9 94 137 A F H 3> S+ 0 0 1 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.813 105.8 55.8 -65.1 -29.1 24.9 17.4 48.9 95 138 A D H <4 S+ 0 0 61 -3,-0.7 4,-0.4 2,-0.2 -1,-0.2 0.833 112.0 44.7 -72.2 -29.4 28.2 17.2 51.0 96 139 A E H >X S+ 0 0 42 -4,-1.5 3,-1.0 -3,-0.5 4,-0.5 0.896 110.8 53.9 -73.9 -44.7 28.4 13.6 49.9 97 140 A I H >< S+ 0 0 0 -4,-3.0 3,-1.6 1,-0.2 -2,-0.2 0.903 103.7 54.6 -57.7 -42.7 27.5 14.4 46.3 98 141 A I T 3< S+ 0 0 34 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.681 99.7 62.1 -71.3 -16.9 30.2 17.0 45.9 99 142 A S T <4 S+ 0 0 81 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.2 0.611 88.7 93.4 -80.3 -12.9 32.9 14.5 47.0 100 143 A R << - 0 0 58 -3,-1.6 3,-0.1 -4,-0.5 -3,-0.0 -0.407 60.6-158.9 -74.6 154.8 32.0 12.3 44.0 101 144 A K S S+ 0 0 192 1,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.512 82.9 43.9-101.7 -12.5 33.9 12.6 40.6 102 145 A R + 0 0 173 182,-0.0 2,-0.3 2,-0.0 -1,-0.2 -0.992 59.8 164.6-135.1 138.7 31.0 11.0 38.7 103 146 A F + 0 0 0 -2,-0.3 177,-2.8 -3,-0.1 2,-0.2 -0.869 10.9 178.2-159.6 118.6 27.2 11.6 38.9 104 147 A S B >> -I 279 0D 6 -2,-0.3 4,-2.3 175,-0.2 3,-0.6 -0.687 48.6 -95.1-122.1 171.4 24.5 10.6 36.4 105 148 A E H 3> S+ 0 0 11 173,-0.5 4,-1.8 1,-0.3 5,-0.1 0.777 125.0 59.3 -54.5 -29.1 20.8 10.8 35.9 106 149 A V H 3> S+ 0 0 13 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.894 105.5 46.9 -65.3 -43.5 20.7 7.2 37.4 107 150 A D H <> S+ 0 0 25 -3,-0.6 4,-2.0 2,-0.2 -2,-0.2 0.918 113.1 49.4 -61.7 -43.9 22.3 8.6 40.6 108 151 A A H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.835 111.7 48.5 -65.6 -35.2 19.8 11.5 40.7 109 152 A A H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.844 108.2 52.9 -75.2 -37.9 16.8 9.1 40.1 110 153 A R H X S+ 0 0 92 -4,-2.1 4,-1.2 158,-0.2 -2,-0.2 0.916 114.2 45.3 -57.3 -47.7 18.0 6.8 42.8 111 154 A I H X S+ 0 0 8 -4,-2.0 4,-1.8 2,-0.2 3,-0.4 0.948 115.4 43.5 -58.1 -56.8 18.1 9.8 45.1 112 155 A I H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 5,-0.3 0.862 107.6 59.8 -69.0 -32.2 14.8 11.3 44.2 113 156 A R H X S+ 0 0 94 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.887 106.1 49.4 -59.8 -38.5 13.0 8.0 44.2 114 157 A Q H X S+ 0 0 23 -4,-1.2 4,-2.1 -3,-0.4 -2,-0.2 0.959 112.4 47.4 -62.7 -49.9 14.0 7.6 47.9 115 158 A V H X S+ 0 0 0 -4,-1.8 4,-2.8 1,-0.2 -2,-0.2 0.919 113.4 46.4 -57.6 -53.2 12.7 11.1 48.7 116 159 A L H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.866 111.1 54.5 -56.5 -36.7 9.4 10.6 46.9 117 160 A S H X S+ 0 0 16 -4,-1.9 4,-1.7 -5,-0.3 -2,-0.2 0.896 111.2 43.7 -68.8 -35.7 9.0 7.2 48.6 118 161 A G H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.920 115.7 48.2 -72.4 -47.2 9.4 8.8 52.0 119 162 A I H X S+ 0 0 0 -4,-2.8 4,-2.7 -5,-0.2 5,-0.2 0.901 108.4 54.3 -59.4 -42.7 7.1 11.7 51.1 120 163 A T H X S+ 0 0 10 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.945 109.9 48.0 -57.7 -48.8 4.4 9.4 49.7 121 164 A Y H X S+ 0 0 50 -4,-1.7 4,-0.8 1,-0.2 -1,-0.2 0.903 112.9 46.6 -58.1 -47.1 4.3 7.4 52.9 122 165 A M H ><>S+ 0 0 2 -4,-2.2 5,-2.4 1,-0.2 3,-0.5 0.885 110.3 52.3 -66.6 -38.0 4.1 10.5 55.1 123 166 A H H ><5S+ 0 0 30 -4,-2.7 3,-2.2 1,-0.3 -2,-0.2 0.898 102.9 59.0 -68.7 -34.8 1.3 12.1 53.0 124 167 A K H 3<5S+ 0 0 143 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.800 108.8 46.5 -58.6 -30.1 -0.7 8.8 53.2 125 168 A N T <<5S- 0 0 54 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.140 122.0-113.1 -97.0 16.5 -0.5 9.5 57.0 126 169 A K T < 5S+ 0 0 185 -3,-2.2 2,-0.4 1,-0.2 -3,-0.2 0.751 70.5 137.6 56.8 36.6 -1.5 13.2 56.5 127 170 A I < - 0 0 2 -5,-2.4 2,-0.3 -8,-0.1 -1,-0.2 -0.935 34.3-163.8-110.7 133.6 1.9 14.7 57.5 128 171 A V - 0 0 28 -2,-0.4 26,-0.8 1,-0.2 29,-0.3 -0.823 14.0-160.4-114.3 142.8 3.4 17.5 55.6 129 172 A H + 0 0 2 -2,-0.3 2,-0.4 24,-0.2 27,-0.4 0.919 15.3 179.0 -82.8 -58.0 7.0 18.6 55.8 130 173 A R S S+ 0 0 32 56,-0.1 46,-0.3 1,-0.1 -1,-0.1 -0.162 71.5 60.2 82.3 -32.2 6.6 22.1 54.3 131 174 A D + 0 0 35 -2,-0.4 2,-0.2 21,-0.2 -1,-0.1 -0.215 69.8 159.4-120.3 40.6 10.3 23.0 54.7 132 175 A L + 0 0 2 42,-0.1 20,-0.1 56,-0.1 3,-0.0 -0.471 12.1 140.1 -71.9 133.9 11.9 20.3 52.6 133 176 A K > - 0 0 11 -2,-0.2 3,-2.1 1,-0.1 4,-0.2 -0.967 66.0 -84.9-164.1 168.1 15.4 21.1 51.4 134 177 A P G > S+ 0 0 8 0, 0.0 3,-2.1 0, 0.0 -41,-0.5 0.854 122.0 60.9 -52.7 -39.2 18.9 19.4 50.8 135 178 A E G 3 S+ 0 0 54 1,-0.3 -3,-0.1 -43,-0.1 16,-0.0 0.704 98.3 59.3 -58.2 -24.1 19.8 19.9 54.5 136 179 A N G < S+ 0 0 4 -3,-2.1 15,-2.2 1,-0.1 2,-0.7 0.424 88.4 85.8 -87.6 -1.1 16.9 17.7 55.5 137 180 A L E < + H 0 150C 0 -3,-2.1 -44,-2.6 -4,-0.2 2,-0.3 -0.873 60.6 176.9-101.7 107.4 18.3 14.9 53.5 138 181 A L E -GH 92 149C 36 11,-2.5 11,-2.5 -2,-0.7 2,-0.4 -0.715 28.1-124.6-105.8 153.5 20.7 12.9 55.6 139 182 A L E -GH 91 148C 12 -48,-2.3 -49,-2.2 -2,-0.3 -48,-0.5 -0.860 16.8-133.7 -98.4 133.2 22.6 9.7 54.6 140 183 A E S S- 0 0 57 7,-2.9 -51,-1.9 -2,-0.4 2,-0.3 0.871 81.9 -9.0 -50.0 -47.6 22.1 6.8 57.0 141 184 A S S S- 0 0 40 2,-0.2 5,-0.2 -52,-0.2 -51,-0.2 -0.883 75.2 -96.9-143.8 173.6 25.8 6.0 57.1 142 185 A K S S+ 0 0 93 -2,-0.3 2,-0.1 -53,-0.1 -2,-0.0 0.428 83.8 118.6 -76.0 0.9 29.1 7.0 55.4 143 186 A S S > S- 0 0 66 1,-0.1 3,-1.4 2,-0.1 -2,-0.2 -0.391 74.2-122.8 -68.5 149.8 28.8 3.9 53.0 144 187 A K T 3 S+ 0 0 95 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.0 0.839 110.6 49.1 -61.2 -37.7 28.5 4.6 49.3 145 188 A D T 3 S+ 0 0 133 2,-0.0 -1,-0.3 0, 0.0 -3,-0.1 0.219 84.5 150.2 -85.1 10.0 25.2 2.8 48.9 146 189 A A < - 0 0 12 -3,-1.4 2,-0.1 -5,-0.2 -4,-0.0 -0.111 44.5-121.9 -61.7 139.0 23.5 4.6 51.9 147 190 A N - 0 0 68 -8,-0.1 -7,-2.9 1,-0.1 2,-0.3 -0.353 25.7-115.1 -68.1 155.5 19.8 5.2 52.1 148 191 A I E - H 0 139C 2 -9,-0.2 2,-0.4 -8,-0.1 -9,-0.2 -0.723 24.8-162.8 -88.8 141.4 18.4 8.8 52.5 149 192 A R E - H 0 138C 29 -11,-2.5 -11,-2.5 -2,-0.3 2,-0.4 -0.997 12.2-142.5-126.7 120.8 16.6 9.7 55.7 150 193 A I E -fH 68 137C 1 -83,-2.7 -81,-2.4 -2,-0.4 2,-0.3 -0.737 19.9-155.6 -82.9 130.9 14.4 12.8 55.7 151 194 A I + 0 0 28 -15,-2.2 -81,-0.0 -2,-0.4 -2,-0.0 -0.756 63.5 27.6-106.1 155.5 14.5 14.7 58.9 152 195 A D >> + 0 0 19 -2,-0.3 3,-1.4 1,-0.2 4,-0.6 0.547 67.1 166.8 78.5 19.1 12.0 17.2 60.5 153 196 A F T 34 S+ 0 0 14 -3,-0.3 -1,-0.2 1,-0.2 -24,-0.2 -0.388 72.5 6.2 -64.9 118.4 8.9 15.7 58.8 154 197 A G T >4 S+ 0 0 0 -26,-0.8 3,-0.6 -2,-0.2 4,-0.4 0.220 98.0 103.0 100.3 -17.4 5.9 17.3 60.7 155 198 A L G X> S+ 0 0 20 -3,-1.4 4,-1.9 1,-0.2 3,-1.6 0.869 70.4 65.9 -72.3 -33.0 7.7 19.8 63.0 156 199 A S G 3< S+ 0 0 2 -4,-0.6 -1,-0.2 -27,-0.4 5,-0.1 0.765 94.8 60.7 -60.0 -29.4 6.9 22.8 60.9 157 200 A T G <4 S+ 0 0 54 -3,-0.6 -1,-0.3 -29,-0.3 -2,-0.2 0.766 115.8 30.1 -66.5 -27.5 3.2 22.3 61.8 158 201 A H T <4 S+ 0 0 4 -3,-1.6 -111,-2.3 -4,-0.4 -110,-0.8 0.658 116.6 53.0-113.6 -16.8 3.8 22.7 65.5 159 202 A F B < S-E 46 0B 1 -4,-1.9 2,-0.4 -113,-0.3 -113,-0.2 -0.955 76.1-125.3-128.0 142.2 6.8 25.1 65.7 160 203 A E - 0 0 89 -115,-2.7 -115,-0.2 -2,-0.4 -3,-0.1 -0.703 32.4-116.9 -88.9 128.5 7.3 28.5 64.2 161 204 A A - 0 0 41 -2,-0.4 -1,-0.1 -5,-0.1 -116,-0.1 -0.324 32.6 -99.8 -66.6 143.9 10.4 28.9 62.1 162 205 A S - 0 0 46 1,-0.1 -1,-0.1 5,-0.1 -118,-0.1 -0.261 17.8-151.3 -56.3 143.1 13.1 31.4 63.2 163 206 A K + 0 0 186 3,-0.0 2,-0.3 4,-0.0 -1,-0.1 0.357 63.4 113.3 -96.4 3.3 13.2 34.8 61.4 164 207 A K S >> S- 0 0 118 1,-0.1 3,-2.1 2,-0.0 4,-0.7 -0.595 70.6-135.0 -74.4 132.4 17.0 35.1 61.9 165 208 A M H >> S+ 0 0 35 -2,-0.3 3,-1.4 1,-0.3 4,-0.9 0.886 103.5 65.0 -57.5 -39.8 19.0 34.9 58.7 166 209 A K H 34 S+ 0 0 66 1,-0.3 -1,-0.3 2,-0.2 136,-0.1 0.635 109.0 41.9 -54.2 -18.5 21.5 32.5 60.2 167 210 A D H <4 S+ 0 0 49 -3,-2.1 -1,-0.3 1,-0.1 -2,-0.2 0.509 115.0 47.3-105.8 -14.0 18.6 30.0 60.5 168 211 A K H X< S+ 0 0 50 -3,-1.4 3,-1.9 -4,-0.7 4,-0.5 0.311 71.3 138.4-116.9 12.4 16.9 30.6 57.1 169 212 A I T 3< S+ 0 0 8 -4,-0.9 258,-0.1 1,-0.3 257,-0.0 -0.338 81.3 8.4 -59.0 131.0 19.9 30.4 54.8 170 213 A G T 3 S+ 0 0 14 256,-0.2 -1,-0.3 -2,-0.0 4,-0.1 0.785 98.2 110.5 64.7 29.8 19.0 28.5 51.7 171 214 A T X> + 0 0 46 -3,-1.9 3,-1.1 2,-0.1 4,-0.9 0.775 65.8 63.2 -92.6 -37.1 15.3 28.3 52.7 172 215 A A T 34 S+ 0 0 7 -4,-0.5 3,-0.3 1,-0.2 -3,-0.1 0.785 92.1 64.7 -61.5 -32.2 13.9 30.6 49.9 173 216 A Y T 34 S+ 0 0 9 1,-0.2 -1,-0.2 33,-0.0 34,-0.2 0.802 110.4 33.6 -63.6 -29.3 15.0 28.4 47.0 174 217 A Y T <4 S+ 0 0 9 -3,-1.1 -1,-0.2 -4,-0.1 21,-0.2 0.533 83.7 112.2-109.7 -14.2 12.8 25.5 47.9 175 218 A I < - 0 0 32 -4,-0.9 -44,-0.1 -3,-0.3 14,-0.1 -0.458 67.9-118.1 -68.6 135.0 9.6 26.9 49.4 176 219 A A >> - 0 0 0 -46,-0.3 4,-1.0 -2,-0.2 3,-1.0 -0.467 19.3-121.7 -73.0 143.7 6.4 26.4 47.3 177 220 A P H 3> S+ 0 0 0 0, 0.0 4,-1.1 0, 0.0 3,-0.3 0.839 111.1 59.6 -55.9 -34.1 4.7 29.6 46.2 178 221 A E H 3>>S+ 0 0 17 1,-0.2 4,-1.4 70,-0.2 5,-0.6 0.842 99.1 58.7 -66.7 -27.5 1.4 28.6 47.9 179 222 A V H <45S+ 0 0 16 -3,-1.0 -1,-0.2 1,-0.2 3,-0.2 0.892 102.0 53.8 -67.9 -37.8 3.3 28.5 51.2 180 223 A L H <5S+ 0 0 63 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.848 112.3 44.2 -59.7 -34.6 4.2 32.2 50.8 181 224 A H H <5S- 0 0 115 -4,-1.1 -1,-0.2 -3,-0.2 -2,-0.2 0.597 113.6-114.4 -95.7 -13.4 0.5 33.1 50.3 182 225 A G T <5S+ 0 0 51 -4,-1.4 2,-0.8 -3,-0.2 -3,-0.1 0.107 84.8 96.7 111.3 -20.9 -0.9 31.0 53.1 183 226 A T < + 0 0 129 -5,-0.6 2,-0.3 2,-0.0 -2,-0.1 -0.832 52.3 144.7-103.5 101.8 -3.1 28.3 51.6 184 227 A Y + 0 0 82 -2,-0.8 2,-0.2 -5,-0.1 0, 0.0 -0.937 23.1 176.9-138.0 162.7 -1.1 25.1 51.3 185 228 A D > - 0 0 72 -2,-0.3 3,-2.2 -55,-0.0 4,-0.2 -0.673 59.0 -58.9-139.3-166.6 -1.4 21.4 51.5 186 229 A E T > S+ 0 0 77 1,-0.3 3,-1.8 -2,-0.2 4,-0.5 0.704 116.8 78.2 -60.1 -22.2 0.9 18.3 51.0 187 230 A K T >> S+ 0 0 31 1,-0.3 4,-1.5 2,-0.2 3,-0.8 0.741 76.2 76.2 -61.1 -19.6 1.6 19.2 47.3 188 231 A C H <> S+ 0 0 0 -3,-2.2 4,-2.1 1,-0.2 -1,-0.3 0.815 89.5 58.8 -58.1 -27.8 4.1 21.8 48.7 189 232 A D H <> S+ 0 0 0 -3,-1.8 4,-1.6 -4,-0.2 -1,-0.2 0.817 102.1 51.8 -74.0 -27.5 6.5 18.9 49.3 190 233 A V H <> S+ 0 0 1 -3,-0.8 4,-2.1 -4,-0.5 -1,-0.2 0.850 108.3 51.6 -72.0 -40.5 6.4 17.9 45.7 191 234 A W H X S+ 0 0 0 -4,-1.5 4,-2.1 2,-0.2 3,-0.4 0.972 109.4 49.0 -59.5 -52.6 7.4 21.4 44.6 192 235 A S H X S+ 0 0 1 -4,-2.1 4,-2.1 1,-0.3 -2,-0.2 0.871 111.9 50.2 -57.1 -36.5 10.3 21.4 47.0 193 236 A T H X S+ 0 0 0 -4,-1.6 4,-2.6 1,-0.2 -1,-0.3 0.834 107.0 54.6 -66.4 -38.7 11.3 18.0 45.6 194 237 A G H X S+ 0 0 0 -4,-2.1 4,-2.1 -3,-0.4 -2,-0.2 0.867 106.8 50.0 -60.8 -42.6 11.1 19.4 42.2 195 238 A V H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.935 110.1 51.9 -63.3 -44.4 13.4 22.2 43.0 196 239 A I H X S+ 0 0 1 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.908 109.4 49.2 -58.0 -47.7 15.9 19.7 44.5 197 240 A L H X S+ 0 0 0 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.887 106.8 55.0 -57.0 -44.5 15.8 17.6 41.3 198 241 A Y H X S+ 0 0 8 -4,-2.1 4,-1.6 1,-0.2 5,-0.4 0.944 110.4 47.3 -55.1 -44.9 16.4 20.7 39.2 199 242 A I H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.889 107.7 55.6 -64.3 -37.1 19.5 21.3 41.2 200 243 A L H < S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.882 114.7 38.2 -65.0 -38.0 20.7 17.7 41.0 201 244 A L H < S+ 0 0 1 -4,-1.9 -1,-0.2 -3,-0.1 82,-0.2 0.610 135.3 18.6 -88.5 -18.8 20.6 17.7 37.2 202 245 A S H < S- 0 0 0 -4,-1.6 -3,-0.2 -5,-0.2 -2,-0.2 0.534 88.0-131.3-123.9 -22.2 21.9 21.3 36.6 203 246 A G S < S+ 0 0 2 -4,-2.7 87,-0.2 -5,-0.4 -4,-0.2 0.584 77.1 96.0 73.1 11.1 23.6 22.3 39.8 204 247 A C S S- 0 0 37 -6,-0.4 -1,-0.2 86,-0.0 -2,-0.2 -0.985 80.2-110.1-131.9 143.1 21.7 25.7 39.8 205 248 A P - 0 0 10 0, 0.0 3,-0.1 0, 0.0 -9,-0.1 -0.438 19.6-137.8 -67.0 137.7 18.5 26.7 41.6 206 249 A P S S+ 0 0 16 0, 0.0 2,-0.6 0, 0.0 19,-0.2 0.834 98.0 45.3 -67.2 -30.8 15.6 27.2 39.3 207 250 A F S S+ 0 0 1 -34,-0.2 2,-0.3 17,-0.1 8,-0.1 -0.967 83.7 155.2-114.7 112.5 14.6 30.3 41.2 208 251 A N + 0 0 65 -2,-0.6 2,-0.3 6,-0.1 10,-0.1 -0.842 10.9 144.3-138.7 167.7 17.6 32.5 42.0 209 252 A G - 0 0 26 -2,-0.3 6,-0.1 8,-0.0 -2,-0.0 -0.951 56.6 -80.4 168.4 178.7 18.7 36.0 42.8 210 253 A A S S+ 0 0 68 -2,-0.3 2,-0.3 215,-0.0 218,-0.2 0.623 103.9 12.6 -84.2 -17.4 21.1 38.1 44.8 211 254 A N S > S- 0 0 49 216,-0.1 4,-1.8 1,-0.1 5,-0.2 -0.913 88.5 -89.4-152.2 169.2 19.3 38.1 48.1 212 255 A E H > S+ 0 0 45 213,-0.5 4,-2.2 -2,-0.3 5,-0.2 0.922 122.3 52.2 -53.7 -45.8 16.4 36.3 49.9 213 256 A Y H > S+ 0 0 148 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.885 107.4 49.9 -66.4 -39.2 13.8 38.7 48.7 214 257 A D H > S+ 0 0 54 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.836 110.2 51.9 -62.3 -37.3 14.7 38.5 45.0 215 258 A I H X S+ 0 0 7 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.934 109.5 49.2 -62.0 -49.2 14.6 34.7 45.2 216 259 A L H X S+ 0 0 30 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.838 106.9 56.2 -60.6 -33.7 11.1 34.9 46.7 217 260 A K H X S+ 0 0 88 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.901 110.3 46.0 -66.7 -36.9 10.0 37.2 43.9 218 261 A K H X S+ 0 0 101 -4,-1.7 4,-1.8 2,-0.2 5,-0.4 0.904 112.2 49.4 -70.7 -43.3 11.1 34.6 41.4 219 262 A V H < S+ 0 0 0 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.919 109.4 52.4 -60.1 -44.6 9.4 31.8 43.3 220 263 A E H < S+ 0 0 84 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.874 109.0 49.4 -65.9 -36.5 6.1 33.7 43.6 221 264 A K H < S- 0 0 152 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.852 96.6-150.1 -67.0 -37.2 6.1 34.4 39.8 222 265 A G < + 0 0 12 -4,-1.8 2,-0.4 1,-0.2 -3,-0.1 0.430 44.8 136.1 88.2 -1.6 6.7 30.7 39.2 223 266 A K + 0 0 94 -5,-0.4 2,-0.3 25,-0.0 -1,-0.2 -0.653 18.6 151.9 -89.7 134.1 8.7 31.0 36.0 224 267 A Y - 0 0 50 -2,-0.4 2,-0.3 -3,-0.1 -17,-0.1 -0.890 22.2-148.3-146.4 174.5 11.8 29.1 35.3 225 268 A T - 0 0 89 -2,-0.3 3,-0.1 -19,-0.2 -2,-0.0 -0.930 22.6-140.4-144.4 168.1 13.7 27.7 32.3 226 269 A F + 0 0 41 -2,-0.3 5,-0.1 1,-0.1 13,-0.0 -0.080 65.8 116.1-116.3 29.2 15.9 24.9 30.9 227 270 A E + 0 0 86 4,-0.1 -1,-0.1 3,-0.1 5,-0.0 0.444 38.1 115.6 -85.2 0.5 18.2 27.1 28.7 228 271 A L S > S- 0 0 61 -3,-0.1 3,-1.9 1,-0.1 4,-0.3 -0.462 76.9-121.1 -65.6 142.4 21.3 26.4 30.7 229 272 A P G > S+ 0 0 104 0, 0.0 3,-1.9 0, 0.0 4,-0.3 0.867 107.9 64.0 -54.9 -36.0 23.8 24.6 28.4 230 273 A Q G 3 S+ 0 0 12 1,-0.3 3,-0.4 2,-0.2 53,-0.1 0.556 85.9 72.2 -73.9 -6.5 24.0 21.6 30.8 231 274 A W G X S+ 0 0 2 -3,-1.9 3,-1.5 1,-0.2 -1,-0.3 0.671 81.3 73.0 -73.2 -18.5 20.3 20.7 30.2 232 275 A K T < S+ 0 0 89 -3,-1.9 -1,-0.2 -4,-0.3 -2,-0.2 0.830 94.4 53.6 -64.9 -30.6 21.2 19.5 26.7 233 276 A K T 3 S+ 0 0 112 -3,-0.4 2,-0.4 -4,-0.3 -1,-0.3 0.444 94.9 93.5 -78.1 -3.2 22.8 16.5 28.3 234 277 A V S < S- 0 0 8 -3,-1.5 5,-0.1 1,-0.1 -3,-0.0 -0.801 82.4-106.8-102.4 136.1 19.6 15.7 30.3 235 278 A S > - 0 0 20 -2,-0.4 4,-1.4 1,-0.1 3,-0.3 -0.137 19.7-128.5 -53.2 144.7 16.8 13.3 29.3 236 279 A E H > S+ 0 0 115 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.823 108.8 63.6 -59.4 -35.0 13.5 14.8 28.1 237 280 A S H > S+ 0 0 16 2,-0.2 4,-1.9 1,-0.2 27,-0.3 0.860 100.2 49.6 -57.5 -42.2 11.8 12.5 30.6 238 281 A A H > S+ 0 0 0 -3,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.939 109.3 51.5 -68.7 -46.3 13.5 14.1 33.6 239 282 A K H X S+ 0 0 29 -4,-1.4 4,-2.3 1,-0.2 -1,-0.2 0.773 108.1 54.3 -57.1 -29.7 12.5 17.6 32.4 240 283 A D H X S+ 0 0 38 -4,-1.3 4,-1.7 2,-0.2 -1,-0.2 0.903 107.7 47.4 -76.1 -42.2 9.0 16.4 32.1 241 284 A L H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 3,-0.3 0.953 111.1 53.5 -62.4 -44.3 8.9 15.2 35.6 242 285 A I H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 3,-0.2 0.936 106.7 50.9 -56.4 -49.7 10.3 18.5 36.7 243 286 A R H < S+ 0 0 101 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.830 111.2 49.3 -56.4 -37.2 7.6 20.5 34.9 244 287 A K H >< S+ 0 0 86 -4,-1.7 10,-1.6 -3,-0.3 3,-0.7 0.845 113.5 44.9 -70.9 -38.4 5.0 18.4 36.6 245 288 A M H 3< S+ 0 0 0 -4,-2.4 -2,-0.2 -3,-0.2 -51,-0.2 0.850 114.6 49.3 -70.4 -37.4 6.5 18.9 40.1 246 289 A L T 3< S+ 0 0 6 -4,-2.8 2,-0.3 -5,-0.2 -1,-0.2 0.018 77.7 138.6 -93.2 29.7 7.0 22.6 39.5 247 290 A T < - 0 0 42 -3,-0.7 6,-0.2 1,-0.1 -3,-0.1 -0.581 51.6-138.9 -76.7 132.8 3.4 23.2 38.3 248 291 A Y S S+ 0 0 91 -2,-0.3 -70,-0.2 4,-0.1 -1,-0.1 0.946 84.5 63.5 -63.4 -54.2 2.2 26.4 39.8 249 292 A V S >> S- 0 0 76 1,-0.1 3,-1.6 3,-0.1 4,-0.7 -0.596 78.1-145.0 -77.1 117.7 -1.4 25.5 40.8 250 293 A P G >4 S+ 0 0 30 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 0.827 95.8 59.2 -61.5 -35.9 -1.2 22.8 43.4 251 294 A S G 34 S+ 0 0 99 1,-0.2 -2,-0.0 -3,-0.0 -3,-0.0 0.758 111.0 44.9 -60.1 -21.2 -4.3 20.9 42.3 252 295 A M G <4 S+ 0 0 139 -3,-1.6 -1,-0.2 2,-0.1 2,-0.2 0.527 92.8 100.8 -98.1 -10.8 -2.6 20.5 38.9 253 296 A R S << S- 0 0 4 -3,-0.9 -8,-0.2 -4,-0.7 -9,-0.1 -0.550 84.4-100.4 -77.5 143.2 0.8 19.5 40.3 254 297 A I - 0 0 26 -10,-1.6 -1,-0.1 -2,-0.2 2,-0.1 -0.235 37.3-117.1 -57.5 145.0 1.7 15.8 40.3 255 298 A S > - 0 0 33 1,-0.1 4,-2.2 -3,-0.1 5,-0.1 -0.414 21.1-114.7 -79.3 158.1 1.3 13.9 43.5 256 299 A A H > S+ 0 0 3 2,-0.2 4,-1.9 1,-0.2 -136,-0.2 0.929 118.1 51.6 -52.0 -50.7 4.3 12.3 45.2 257 300 A R H > S+ 0 0 115 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.919 111.4 45.3 -60.3 -46.3 2.8 8.9 44.6 258 301 A D H >4 S+ 0 0 88 1,-0.2 3,-0.7 2,-0.2 4,-0.3 0.874 105.8 60.8 -64.2 -35.3 2.2 9.6 40.9 259 302 A A H >< S+ 0 0 0 -4,-2.2 3,-1.8 1,-0.3 6,-0.3 0.907 98.2 59.4 -60.4 -38.6 5.8 11.0 40.6 260 303 A L H 3< S+ 0 0 34 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.833 106.2 47.9 -53.9 -37.3 7.1 7.6 41.7 261 304 A D T << S+ 0 0 79 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.403 84.2 126.6 -82.2 -1.0 5.3 6.0 38.7 262 305 A H S X> S- 0 0 13 -3,-1.8 4,-2.4 -4,-0.3 3,-1.0 -0.352 72.7-117.3 -65.8 140.1 6.7 8.6 36.2 263 306 A E H 3> S+ 0 0 112 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.829 113.7 56.3 -38.6 -48.2 8.6 7.2 33.2 264 307 A W H 3> S+ 0 0 0 -27,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.866 110.6 42.3 -56.6 -43.2 11.8 8.9 34.3 265 308 A I H <> S+ 0 0 2 -3,-1.0 4,-0.8 -6,-0.3 -1,-0.2 0.894 116.2 49.4 -72.1 -39.5 11.8 7.2 37.7 266 309 A Q H < S+ 0 0 94 -4,-2.4 -2,-0.2 1,-0.2 4,-0.2 0.900 116.8 42.6 -66.9 -38.9 10.8 3.9 36.2 267 310 A T H < S+ 0 0 45 -4,-3.2 3,-0.5 -5,-0.2 -2,-0.2 0.875 117.3 39.5 -73.6 -46.3 13.6 4.1 33.5 268 311 A Y H < S+ 0 0 28 -4,-2.0 -158,-0.2 1,-0.2 -159,-0.2 0.370 107.6 61.1 -94.6 2.4 16.6 5.4 35.5 269 312 A T < + 0 0 33 -4,-0.8 2,-0.8 -3,-0.2 -1,-0.2 0.362 69.8 110.7-109.9 1.2 16.1 3.3 38.7 270 313 A K - 0 0 114 -3,-0.5 -4,-0.0 -4,-0.2 -3,-0.0 -0.723 69.8-141.9 -70.7 111.4 16.4 -0.0 36.9 271 314 A E S S+ 0 0 151 -2,-0.8 -1,-0.2 1,-0.2 -3,-0.0 0.682 89.4 38.7 -52.2 -26.2 19.8 -1.1 38.4 272 315 A Q S S+ 0 0 153 1,-0.1 2,-0.3 -3,-0.0 -1,-0.2 0.948 87.6 88.2 -91.4 -60.5 20.9 -2.7 35.2 273 316 A I + 0 0 91 1,-0.1 2,-0.4 -6,-0.0 3,-0.2 -0.203 35.1 168.3 -61.3 106.3 19.9 -0.7 32.1 274 317 A S + 0 0 86 -2,-0.3 3,-0.4 1,-0.2 -1,-0.1 -0.613 11.4 161.4-105.7 67.1 22.5 2.0 31.1 275 318 A V S S- 0 0 112 -2,-0.4 2,-0.2 1,-0.3 -1,-0.2 0.806 81.7 -15.7 -59.8 -34.8 20.8 2.7 27.7 276 319 A D S S+ 0 0 122 -3,-0.2 -1,-0.3 2,-0.1 -3,-0.0 -0.586 78.7 165.3-167.9 111.3 22.7 6.0 27.6 277 320 A V + 0 0 46 -3,-0.4 2,-0.1 -2,-0.2 -173,-0.0 -0.683 5.8 174.7-139.2 78.3 24.2 7.4 30.9 278 321 A P - 0 0 57 0, 0.0 -173,-0.5 0, 0.0 2,-0.4 -0.417 37.4-105.4 -77.4 163.8 26.7 10.2 30.7 279 322 A S B -I 104 0D 42 -175,-0.1 2,-1.6 -2,-0.1 -175,-0.2 -0.740 23.7-131.8 -90.9 136.1 28.2 11.9 33.7 280 323 A L > + 0 0 6 -177,-2.8 4,-1.8 -2,-0.4 -1,-0.0 -0.556 37.4 167.6 -93.1 74.4 26.8 15.4 34.4 281 324 A D H > S+ 0 0 101 -2,-1.6 4,-1.5 1,-0.2 -1,-0.2 0.828 71.2 48.3 -64.7 -43.4 30.1 17.1 34.9 282 325 A N H > S+ 0 0 57 -3,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.937 110.2 54.9 -62.2 -43.2 29.0 20.8 34.8 283 326 A A H > S+ 0 0 1 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.900 105.9 50.5 -54.3 -46.5 26.2 20.0 37.3 284 327 A I H X S+ 0 0 8 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.880 112.7 46.4 -68.2 -33.9 28.5 18.5 39.9 285 328 A L H X S+ 0 0 93 -4,-1.5 4,-1.6 2,-0.2 -1,-0.2 0.854 111.2 51.0 -77.1 -37.0 30.8 21.5 39.7 286 329 A N H X S+ 0 0 27 -4,-2.7 4,-3.1 2,-0.2 -2,-0.2 0.917 111.0 50.2 -60.2 -43.6 27.9 23.9 39.9 287 330 A I H X S+ 0 0 0 -4,-2.8 4,-3.4 1,-0.2 5,-0.2 0.911 108.2 52.2 -63.1 -42.2 26.6 22.0 43.0 288 331 A R H X S+ 0 0 99 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.867 113.5 44.7 -59.9 -36.7 30.1 22.2 44.6 289 332 A Q H X S+ 0 0 130 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.924 114.0 49.3 -73.3 -42.0 30.1 26.0 44.0 290 333 A F H X S+ 0 0 21 -4,-3.1 4,-2.5 -87,-0.2 -2,-0.2 0.959 113.5 45.5 -58.5 -51.1 26.6 26.3 45.3 291 334 A Q H X S+ 0 0 12 -4,-3.4 4,-2.4 2,-0.2 -1,-0.2 0.888 111.4 50.9 -64.4 -43.1 27.3 24.3 48.4 292 335 A G H X S+ 0 0 17 -4,-2.0 4,-2.3 -5,-0.2 5,-0.2 0.917 111.7 50.0 -63.2 -41.0 30.6 26.1 49.3 293 336 A T H X S+ 0 0 10 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.958 111.8 46.5 -60.8 -51.3 28.8 29.4 48.9 294 337 A Q H X S+ 0 0 17 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.880 113.9 48.4 -56.9 -44.5 25.9 28.4 51.2 295 338 A K H X S+ 0 0 53 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.879 111.0 49.5 -68.7 -36.5 28.3 27.0 53.8 296 339 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.940 111.8 48.5 -71.8 -40.5 30.5 30.1 53.8 297 340 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.944 113.9 47.2 -59.6 -46.9 27.5 32.4 54.2 298 341 A Q H X S+ 0 0 34 -4,-2.3 4,-2.1 -5,-0.2 5,-0.2 0.920 112.3 48.7 -58.7 -45.1 26.2 30.2 57.0 299 342 A A H X S+ 0 0 2 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.898 109.7 53.8 -67.1 -34.7 29.6 30.1 58.8 300 343 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.950 109.4 46.8 -66.0 -48.6 29.9 33.9 58.5 301 344 A L H X S+ 0 0 23 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.865 113.6 48.1 -58.0 -38.8 26.6 34.5 60.2 302 345 A L H X S+ 0 0 36 -4,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.821 108.4 55.3 -75.8 -30.6 27.3 32.0 63.0 303 346 A Y H X S+ 0 0 19 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.945 111.8 42.9 -57.5 -53.6 30.7 33.6 63.5 304 347 A M H X S+ 0 0 16 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.941 114.7 50.5 -60.3 -44.3 29.0 37.0 63.9 305 348 A G H X S+ 0 0 10 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.923 110.8 49.1 -60.1 -44.7 26.3 35.4 66.2 306 349 A S H X S+ 0 0 32 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.880 109.4 51.9 -63.4 -39.0 29.0 33.7 68.3 307 350 A K H X S+ 0 0 72 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.927 110.1 48.4 -65.6 -40.0 30.9 36.9 68.6 308 351 A L H X S+ 0 0 91 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.949 112.5 49.3 -64.3 -44.1 27.7 38.7 69.8 309 352 A T H X S+ 0 0 28 -4,-2.6 4,-3.2 1,-0.2 5,-0.3 0.905 107.8 53.5 -54.2 -45.7 26.9 35.9 72.4 310 353 A S H X S+ 0 0 19 -4,-2.3 4,-2.0 1,-0.2 5,-0.3 0.860 106.2 52.6 -70.1 -30.2 30.4 36.0 73.7 311 354 A Q H X S+ 0 0 63 -4,-1.7 4,-1.7 -5,-0.2 -1,-0.2 0.974 114.4 43.6 -60.7 -51.6 30.1 39.7 74.4 312 355 A D H X S+ 0 0 105 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.975 117.8 42.4 -53.9 -61.9 26.9 39.1 76.3 313 356 A E H X S+ 0 0 5 -4,-3.2 4,-2.9 1,-0.2 5,-0.3 0.836 110.0 56.4 -62.6 -38.5 28.1 36.0 78.3 314 357 A T H X S+ 0 0 46 -4,-2.0 4,-2.1 -5,-0.3 -1,-0.2 0.958 112.7 41.5 -56.1 -53.3 31.5 37.4 79.2 315 358 A K H X S+ 0 0 149 -4,-1.7 4,-2.1 -5,-0.3 -1,-0.2 0.863 116.1 49.6 -63.4 -37.1 30.0 40.5 80.8 316 359 A E H X S+ 0 0 79 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.901 112.2 47.3 -71.6 -38.7 27.2 38.5 82.5 317 360 A L H X S+ 0 0 0 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.868 110.9 51.7 -68.7 -40.2 29.6 36.0 83.9 318 361 A T H X S+ 0 0 55 -4,-2.1 4,-3.2 -5,-0.3 -2,-0.2 0.932 110.7 47.6 -62.2 -47.4 32.0 38.7 85.2 319 362 A A H X S+ 0 0 56 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.843 113.0 49.9 -64.2 -34.1 29.1 40.5 86.9 320 363 A I H X S+ 0 0 20 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.907 115.2 42.6 -69.0 -43.9 28.0 37.1 88.5 321 364 A F H X S+ 0 0 0 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.904 110.6 56.3 -69.5 -41.7 31.5 36.3 89.7 322 365 A H H < S+ 0 0 125 -4,-3.2 3,-0.4 1,-0.2 -2,-0.2 0.937 110.0 45.4 -52.8 -49.6 32.0 39.9 90.9 323 366 A K H < S+ 0 0 160 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.777 111.2 52.4 -67.4 -28.6 28.9 39.6 93.1 324 367 A M H < S+ 0 0 26 -4,-1.4 2,-1.5 1,-0.1 -1,-0.2 0.732 88.5 90.9 -75.7 -24.1 29.9 36.2 94.4 325 368 A D < + 0 0 17 -4,-1.6 -1,-0.1 -3,-0.4 7,-0.1 -0.579 47.1 165.5 -77.5 88.7 33.4 37.6 95.3 326 369 A K S S+ 0 0 164 -2,-1.5 -1,-0.2 1,-0.2 -2,-0.0 0.822 74.6 55.5 -78.2 -31.8 32.7 38.7 98.9 327 370 A N S S- 0 0 121 4,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.861 95.7-140.8 -60.2 -39.7 36.4 39.0 99.6 328 371 A G S S+ 0 0 62 3,-0.2 -2,-0.1 -6,-0.1 -1,-0.1 0.493 70.7 117.4 80.7 6.2 36.9 41.5 96.7 329 372 A D S S- 0 0 65 2,-0.2 3,-0.1 1,-0.0 -3,-0.0 0.502 85.0-117.5 -84.7 -4.4 40.2 39.7 96.1 330 373 A G S S+ 0 0 14 1,-0.3 51,-1.5 -8,-0.1 52,-0.5 0.521 76.5 115.9 81.1 7.8 39.1 38.5 92.6 331 374 A Q E +J 380 0E 55 49,-0.2 2,-0.3 50,-0.1 -1,-0.3 -0.790 37.5 178.3-110.2 152.3 39.4 34.8 93.5 332 375 A L E -J 379 0E 6 47,-2.4 47,-1.9 -2,-0.3 45,-0.2 -0.991 24.5-121.1-145.7 152.0 36.8 32.0 93.8 333 376 A D > - 0 0 66 -2,-0.3 4,-2.2 45,-0.2 3,-0.3 -0.394 39.9 -95.3 -82.9 171.4 36.8 28.3 94.6 334 377 A R H > S+ 0 0 103 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.875 120.5 51.7 -52.8 -51.8 35.5 25.5 92.3 335 378 A A H > S+ 0 0 61 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.829 110.9 49.4 -58.9 -35.6 31.9 25.2 93.6 336 379 A E H > S+ 0 0 58 -3,-0.3 4,-2.8 2,-0.2 5,-0.3 0.923 110.1 49.6 -70.9 -44.6 31.4 29.0 93.3 337 380 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.948 113.9 47.0 -55.7 -48.4 32.7 28.9 89.7 338 381 A I H X S+ 0 0 7 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.941 111.4 52.1 -58.0 -47.4 30.3 26.0 89.1 339 382 A E H X S+ 0 0 125 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.904 113.1 42.3 -56.5 -48.6 27.4 28.0 90.8 340 383 A G H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.885 112.8 52.5 -67.0 -40.9 27.8 31.2 88.7 341 384 A Y H X S+ 0 0 2 -4,-2.3 4,-2.6 -5,-0.3 -2,-0.2 0.880 112.4 46.3 -63.0 -40.1 28.3 29.3 85.5 342 385 A K H X S+ 0 0 81 -4,-2.5 4,-2.8 -5,-0.2 -2,-0.2 0.858 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104.2 42.9 -44.3 -49.9 39.0 36.8 85.4 383 426 A E H <> S+ 0 0 108 -3,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.879 108.7 57.7 -73.6 -37.8 41.1 34.2 83.6 384 427 A F H X S+ 0 0 0 -4,-1.3 4,-2.7 1,-0.2 -1,-0.2 0.872 105.2 53.5 -56.4 -40.1 38.5 31.4 83.9 385 428 A V H X S+ 0 0 4 -4,-1.8 4,-1.9 2,-0.2 5,-0.2 0.929 107.8 49.2 -61.7 -49.0 36.0 33.7 82.0 386 429 A T H X S+ 0 0 70 -4,-1.4 4,-2.3 1,-0.2 -2,-0.2 0.916 116.5 41.8 -54.8 -47.5 38.4 34.3 79.1 387 430 A V H X S+ 0 0 40 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.874 111.1 53.9 -74.4 -40.2 39.1 30.6 78.7 388 431 A A H X S+ 0 0 0 -4,-2.7 4,-1.3 -5,-0.2 -1,-0.2 0.890 115.7 41.9 -58.1 -38.2 35.4 29.4 79.2 389 432 A M H X S+ 0 0 5 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.862 108.8 54.5 -83.1 -44.1 34.3 31.8 76.4 390 433 A D H X S+ 0 0 99 -4,-2.3 4,-1.7 -5,-0.2 -1,-0.2 0.894 108.0 55.2 -50.7 -42.5 37.2 31.2 73.9 391 434 A R H X S+ 0 0 100 -4,-1.9 4,-0.6 1,-0.2 3,-0.3 0.943 104.9 51.7 -55.2 -51.2 36.1 27.6 74.3 392 435 A K H < S+ 0 0 70 -4,-1.3 4,-0.4 1,-0.2 -1,-0.2 0.815 113.8 42.8 -57.6 -35.7 32.5 28.4 73.3 393 436 A T H X S+ 0 0 32 -4,-1.7 4,-2.3 -3,-0.1 3,-0.4 0.710 90.0 88.8 -85.5 -25.4 33.6 30.3 70.1 394 437 A L H X S+ 0 0 81 -4,-1.7 4,-3.4 -3,-0.3 5,-0.4 0.878 86.2 50.4 -33.3 -64.2 36.3 27.8 68.9 395 438 A L H X S+ 0 0 103 -4,-0.6 4,-2.3 1,-0.3 -1,-0.2 0.859 115.2 44.8 -51.8 -45.2 33.9 25.6 66.9 396 439 A S H > S+ 0 0 4 -3,-0.4 4,-0.8 -4,-0.4 -1,-0.3 0.808 116.4 41.6 -73.2 -37.0 32.5 28.7 65.1 397 440 A R H X S+ 0 0 108 -4,-2.3 4,-2.2 -3,-0.4 -2,-0.2 0.873 118.3 47.7 -74.5 -38.4 35.9 30.5 64.3 398 441 A E H X S+ 0 0 90 -4,-3.4 4,-2.4 -5,-0.3 -2,-0.2 0.943 112.0 49.9 -66.3 -45.0 37.5 27.3 63.3 399 442 A R H X S+ 0 0 71 -4,-2.3 4,-2.2 -5,-0.4 -1,-0.3 0.772 106.7 57.2 -61.1 -29.9 34.5 26.4 61.2 400 443 A L H X S+ 0 0 0 -4,-0.8 4,-2.2 2,-0.2 -2,-0.2 0.957 108.8 43.9 -70.4 -46.9 34.8 29.9 59.6 401 444 A E H X S+ 0 0 64 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.941 113.1 52.4 -60.2 -45.3 38.3 29.4 58.4 402 445 A R H X S+ 0 0 118 -4,-2.4 4,-2.3 1,-0.3 -1,-0.2 0.916 110.7 47.1 -59.4 -45.6 37.5 25.9 57.2 403 446 A A H X S+ 0 0 13 -4,-2.2 4,-2.2 2,-0.2 -1,-0.3 0.854 110.4 52.3 -68.0 -34.2 34.6 27.2 55.2 404 447 A F H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.973 111.7 46.5 -62.0 -50.8 36.7 30.0 53.7 405 448 A R H < S+ 0 0 107 -4,-2.8 6,-0.2 1,-0.2 -2,-0.2 0.866 112.4 50.8 -58.1 -38.1 39.4 27.4 52.6 406 449 A M H < S+ 0 0 146 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.916 110.2 48.8 -70.9 -37.4 36.7 25.2 51.2 407 450 A F H < S+ 0 0 24 -4,-2.2 2,-2.1 1,-0.2 -2,-0.2 0.887 98.5 71.1 -65.7 -34.6 35.1 28.1 49.2 408 451 A D >< + 0 0 10 -4,-2.3 3,-2.0 1,-0.2 -1,-0.2 -0.461 64.7 166.3 -81.5 66.4 38.6 29.0 47.9 409 452 A S T 3 S+ 0 0 98 -2,-2.1 -1,-0.2 1,-0.3 -2,-0.1 0.739 70.5 53.7 -61.7 -27.9 38.7 25.9 45.7 410 453 A D T 3 S- 0 0 119 -3,-0.2 -1,-0.3 0, 0.0 -2,-0.1 0.351 107.8-124.2 -86.0 6.8 41.7 27.1 43.6 411 454 A N < + 0 0 140 -3,-2.0 -2,-0.1 -6,-0.2 -6,-0.0 0.868 63.2 144.6 51.1 43.8 43.8 27.7 46.8 412 455 A S - 0 0 65 2,-0.2 -1,-0.1 1,-0.0 3,-0.1 0.725 59.6-129.3 -84.2 -18.8 44.3 31.3 45.8 413 456 A G S S+ 0 0 23 1,-0.2 38,-0.5 -5,-0.2 2,-0.3 0.416 76.8 76.9 86.7 0.2 44.2 32.5 49.4 414 457 A K E -K 450 0F 73 36,-0.2 2,-0.4 37,-0.1 -2,-0.2 -0.950 64.3-142.1-143.2 157.1 41.6 35.1 48.4 415 458 A I E -K 449 0F 0 34,-2.1 34,-2.2 -2,-0.3 -7,-0.0 -0.977 28.6-126.3-122.5 135.7 38.0 35.8 47.5 416 459 A S E > -K 448 0F 40 -2,-0.4 4,-2.9 32,-0.2 32,-0.3 -0.251 22.2-113.4 -76.1 161.5 37.1 38.4 44.9 417 460 A S H > S+ 0 0 44 30,-2.0 4,-2.4 2,-0.2 5,-0.1 0.831 120.7 56.7 -66.1 -29.0 34.7 41.3 45.4 418 461 A T H > S+ 0 0 107 29,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.944 109.5 45.6 -62.5 -47.3 32.3 39.5 42.9 419 462 A E H > S+ 0 0 69 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.909 109.8 54.6 -58.3 -45.9 32.5 36.5 45.2 420 463 A L H X S+ 0 0 0 -4,-2.9 4,-3.2 1,-0.2 5,-0.3 0.929 105.5 53.5 -53.5 -43.8 32.0 38.8 48.3 421 464 A A H X S+ 0 0 45 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.928 110.6 46.4 -57.8 -42.5 28.8 40.1 46.6 422 465 A T H X S+ 0 0 75 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.928 115.4 45.6 -67.9 -45.0 27.5 36.6 46.2 423 466 A I H X S+ 0 0 0 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.919 116.1 44.9 -63.5 -46.0 28.3 35.5 49.8 424 467 A F H <>S+ 0 0 1 -4,-3.2 5,-2.5 -5,-0.2 4,-0.4 0.834 111.0 54.0 -72.9 -28.7 26.9 38.7 51.3 425 468 A G H ><5S+ 0 0 13 -4,-2.5 3,-0.9 -5,-0.3 -213,-0.5 0.943 111.0 45.6 -63.6 -48.9 23.8 38.5 49.1 426 469 A V H 3<5S+ 0 0 24 -4,-2.3 -256,-0.2 1,-0.2 -2,-0.2 0.857 115.9 47.2 -58.8 -38.6 23.1 35.0 50.3 427 470 A S T 3<5S- 0 0 3 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.431 111.9-125.0 -80.1 -8.0 23.9 36.2 54.0 428 471 A D T < 5 + 0 0 77 -3,-0.9 2,-0.6 -4,-0.4 -3,-0.2 0.846 55.6 150.9 61.5 44.8 21.6 39.2 53.5 429 472 A V < - 0 0 28 -5,-2.5 -1,-0.2 -6,-0.1 -2,-0.1 -0.939 53.4-108.7-102.0 121.1 24.1 41.9 54.4 430 473 A D > - 0 0 84 -2,-0.6 4,-2.0 1,-0.1 3,-0.0 -0.021 21.5-125.8 -54.5 145.9 23.3 45.1 52.5 431 474 A S H > S+ 0 0 58 1,-0.2 4,-1.6 2,-0.2 5,-0.2 0.915 107.5 48.0 -66.1 -46.6 25.7 46.0 49.7 432 475 A E H > S+ 0 0 154 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.808 109.7 57.4 -60.0 -33.7 26.6 49.5 50.8 433 476 A T H > S+ 0 0 62 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.965 106.5 44.4 -70.2 -48.9 27.1 48.2 54.3 434 477 A W H X S+ 0 0 7 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.866 112.9 50.3 -69.5 -29.4 29.8 45.6 53.5 435 478 A K H X S+ 0 0 98 -4,-1.6 4,-2.7 2,-0.2 -1,-0.2 0.877 106.6 54.5 -75.1 -36.9 31.9 47.9 51.2 436 479 A S H X S+ 0 0 80 -4,-1.5 4,-1.4 -5,-0.2 -1,-0.2 0.937 110.4 49.3 -58.3 -40.4 31.9 50.7 53.7 437 480 A V H X S+ 0 0 14 -4,-1.7 4,-1.4 2,-0.2 3,-0.4 0.931 110.4 47.7 -66.8 -47.5 33.4 48.0 56.1 438 481 A L H >X S+ 0 0 12 -4,-2.3 4,-2.5 1,-0.2 3,-0.6 0.921 105.5 59.5 -53.6 -49.3 36.0 46.8 53.6 439 482 A S H 3< S+ 0 0 72 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.854 108.8 46.1 -53.2 -35.9 37.1 50.4 52.9 440 483 A E H 3< S+ 0 0 142 -4,-1.4 3,-0.3 -3,-0.4 -1,-0.3 0.784 111.6 49.3 -80.9 -28.8 37.8 50.7 56.6 441 484 A V H << S+ 0 0 28 -4,-1.4 2,-0.4 -3,-0.6 -2,-0.2 0.936 132.3 10.4 -70.4 -52.3 39.8 47.4 57.0 442 485 A D >< - 0 0 50 -4,-2.5 3,-1.6 -5,-0.1 -1,-0.3 -0.864 64.2-169.5-134.9 96.9 42.0 47.9 54.0 443 486 A K T 3 S+ 0 0 182 -2,-0.4 -1,-0.1 -3,-0.3 -4,-0.1 0.672 88.9 44.6 -62.0 -16.1 41.9 51.4 52.5 444 487 A N T 3 S+ 0 0 144 2,-0.0 -1,-0.3 0, 0.0 -5,-0.1 0.251 78.9 147.4-110.9 12.8 43.9 50.3 49.4 445 488 A N < - 0 0 46 -3,-1.6 2,-0.2 -7,-0.2 4,-0.1 -0.051 39.7-148.2 -65.1 157.3 42.3 46.9 48.5 446 489 A D - 0 0 127 2,-0.4 -1,-0.1 0, 0.0 -29,-0.1 -0.534 64.1 -68.9-124.0 58.0 42.1 45.8 44.9 447 490 A G S S+ 0 0 27 -2,-0.2 -30,-2.0 -31,-0.1 2,-0.3 0.681 109.5 79.3 67.8 23.6 38.9 43.8 44.8 448 491 A E E -K 416 0F 75 -32,-0.3 -2,-0.4 -31,-0.1 2,-0.3 -0.982 54.5-157.0-155.1 151.1 39.9 40.9 46.9 449 492 A V E -K 415 0F 0 -34,-2.2 -34,-2.1 -2,-0.3 2,-0.1 -0.963 12.2-139.0-124.4 147.6 40.3 39.9 50.5 450 493 A D E > -K 414 0F 54 -2,-0.3 4,-2.4 -36,-0.2 5,-0.2 -0.288 44.4 -88.5 -87.0-178.4 42.4 37.2 52.3 451 494 A F H > S+ 0 0 11 -38,-0.5 4,-2.7 1,-0.2 5,-0.2 0.920 127.0 51.2 -62.6 -43.3 41.0 35.2 55.2 452 495 A D H > S+ 0 0 84 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.904 111.0 47.7 -60.9 -45.9 42.2 37.7 57.8 453 496 A E H > S+ 0 0 37 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.901 111.5 50.6 -57.8 -46.1 40.6 40.7 56.0 454 497 A F H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.956 111.3 48.7 -58.2 -51.0 37.3 38.8 55.6 455 498 A Q H X S+ 0 0 12 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.909 109.8 50.9 -53.9 -47.3 37.2 38.0 59.2 456 499 A Q H X S+ 0 0 70 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.885 108.0 54.5 -60.1 -40.0 38.0 41.6 60.1 457 500 A M H X S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.947 107.2 50.0 -56.7 -48.0 35.0 42.6 57.9 458 501 A L H < S+ 0 0 0 -4,-2.4 4,-0.4 1,-0.2 -2,-0.2 0.889 107.6 53.5 -58.9 -39.4 32.7 40.2 59.8 459 502 A L H ><>S+ 0 0 40 -4,-2.1 5,-2.4 1,-0.2 3,-1.4 0.938 109.6 47.8 -62.5 -45.0 33.8 41.7 63.2 460 503 A K H ><5S+ 0 0 63 -4,-2.1 3,-1.3 1,-0.3 -1,-0.2 0.845 106.2 58.9 -64.0 -31.7 33.0 45.2 62.0 461 504 A L T 3<5S+ 0 0 39 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.506 105.6 49.2 -76.8 -6.2 29.6 43.9 60.7 462 505 A C T < 5S- 0 0 12 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 -0.112 129.6 -91.3-121.8 34.3 28.7 42.8 64.2 463 506 A G T < 5 0 0 66 -3,-1.3 -3,-0.2 1,-0.1 -2,-0.1 0.668 360.0 360.0 75.2 21.8 29.6 46.1 65.9 464 507 A N < 0 0 88 -5,-2.4 -4,-0.2 -6,-0.2 -3,-0.1 -0.291 360.0 360.0-122.6 360.0 33.3 45.3 66.7