==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 24-MAY-10 3N51 . COMPND 2 MOLECULE: CALMODULIN-DOMAIN PROTEIN KINASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: TOXOPLASMA GONDII; . AUTHOR E.T.LARSON,E.A.MERRITT,MEDICAL STRUCTURAL GENOMICS OF PATHOG . 448 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22855.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 314 70.1 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 10.3 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 . 19 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 187 41.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 2 3 1 0 0 0 5 2 1 1 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 0 128 0, 0.0 2,-0.4 0, 0.0 74,-0.4 0.000 360.0 360.0 360.0 124.2 9.4 11.0 83.4 2 46 A I >> - 0 0 92 1,-0.1 3,-1.0 72,-0.1 4,-0.8 -0.915 360.0-131.9-118.7 140.4 12.4 13.4 83.0 3 47 A F H >> S+ 0 0 28 -2,-0.4 4,-2.4 1,-0.3 3,-1.1 0.875 103.5 53.7 -52.8 -48.1 15.1 13.4 80.3 4 48 A S H 34 S+ 0 0 72 1,-0.3 -1,-0.3 2,-0.2 5,-0.0 0.704 99.0 63.4 -68.8 -23.2 18.1 13.6 82.5 5 49 A D H <4 S+ 0 0 116 -3,-1.0 -1,-0.3 1,-0.1 -2,-0.2 0.844 118.0 27.6 -63.6 -32.7 17.0 10.5 84.5 6 50 A R H << S+ 0 0 114 -3,-1.1 21,-3.0 -4,-0.8 22,-0.4 0.765 120.9 41.9-100.2 -33.5 17.3 8.4 81.3 7 51 A Y E < -A 26 0A 13 -4,-2.4 2,-0.4 19,-0.2 19,-0.2 -0.932 56.0-156.5-125.2 140.7 19.9 10.0 79.1 8 52 A K E -A 25 0A 104 17,-2.2 17,-2.1 -2,-0.4 2,-0.1 -0.973 27.3-120.6-111.9 134.4 23.4 11.6 79.6 9 53 A G E +A 24 0A 52 -2,-0.4 15,-0.2 15,-0.2 3,-0.1 -0.488 33.0 173.3 -62.7 139.0 24.7 14.1 77.1 10 54 A Q E - 0 0 74 13,-3.0 2,-0.3 1,-0.4 14,-0.2 0.704 58.9 -17.4-116.8 -52.2 28.0 13.0 75.6 11 55 A R E -A 23 0A 152 12,-1.4 12,-3.2 0, 0.0 -1,-0.4 -0.988 67.3 -98.9-156.8 155.2 28.9 15.4 72.8 12 56 A V E -A 22 0A 94 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.503 23.6-171.6 -76.1 140.8 27.4 18.2 70.7 13 57 A L E - 0 0 79 8,-2.9 2,-0.2 1,-0.4 9,-0.2 0.517 52.1 -89.2-107.6 -13.6 26.3 17.2 67.2 14 58 A G E -A 21 0A 33 7,-1.1 7,-3.0 2,-0.0 2,-0.5 -0.736 45.6 -63.4 135.5 177.0 25.5 20.7 65.9 15 59 A K E +A 20 0A 86 5,-0.2 5,-0.2 -2,-0.2 2,-0.2 -0.896 52.8 173.4 -96.4 133.7 22.6 23.1 65.7 16 60 A G E > -A 19 0A 21 3,-2.1 3,-1.1 -2,-0.5 2,-0.1 -0.532 47.3 -45.1-117.8-165.6 19.7 22.0 63.6 17 61 A S T 3 S+ 0 0 24 1,-0.2 -1,-0.1 -2,-0.2 134,-0.0 -0.423 123.9 4.0 -67.8 133.3 16.3 23.5 62.9 18 62 A F T 3 S- 0 0 20 -2,-0.1 21,-0.4 148,-0.1 2,-0.3 0.313 128.4 -23.2 77.0 -4.2 14.5 24.7 66.1 19 63 A G E < S-A 16 0A 4 -3,-1.1 -3,-2.1 19,-0.2 2,-0.2 -0.946 85.7 -34.8 156.9-173.4 17.4 24.0 68.5 20 64 A E E -AB 15 37A 100 17,-0.9 17,-2.7 -2,-0.3 2,-0.5 -0.490 40.6-146.5 -85.2 139.2 20.6 22.2 69.6 21 65 A V E -AB 14 36A 26 -7,-3.0 -8,-2.9 15,-0.2 -7,-1.1 -0.911 18.3-175.6-110.8 126.3 21.3 18.6 68.8 22 66 A I E -AB 12 35A 27 13,-2.7 13,-2.8 -2,-0.5 2,-0.5 -0.938 27.4-127.0-124.5 134.2 23.3 16.5 71.3 23 67 A L E +AB 11 34A 4 -12,-3.2 -13,-3.0 -2,-0.4 -12,-1.4 -0.751 42.1 179.5 -75.6 122.4 24.6 12.9 71.1 24 68 A C E -AB 9 33A 2 9,-3.0 9,-2.6 -2,-0.5 2,-0.4 -0.798 20.7-140.8-124.5 168.1 23.3 11.2 74.2 25 69 A K E -AB 8 32A 59 -17,-2.1 -17,-2.2 -2,-0.3 7,-0.2 -0.997 24.9-112.7-134.3 132.6 23.5 7.8 75.8 26 70 A D E > -A 7 0A 10 5,-2.6 4,-1.5 -2,-0.4 -19,-0.2 -0.460 26.6-138.4 -58.4 126.6 20.9 5.7 77.6 27 71 A K T 4 S+ 0 0 110 -21,-3.0 -1,-0.2 -2,-0.2 -20,-0.1 0.667 96.6 32.0 -67.2 -16.5 22.1 5.5 81.3 28 72 A I T 4 S+ 0 0 155 -22,-0.4 -1,-0.1 3,-0.1 -21,-0.0 0.863 128.0 28.9-102.5 -61.2 21.2 1.9 81.5 29 73 A T T 4 S- 0 0 99 2,-0.1 -2,-0.1 1,-0.1 3,-0.1 0.561 91.8-127.8 -84.4 -12.6 21.5 0.2 78.1 30 74 A G < + 0 0 29 -4,-1.5 2,-0.2 1,-0.2 -3,-0.1 0.445 50.7 159.2 75.4 1.2 24.3 2.3 76.7 31 75 A Q - 0 0 112 -6,-0.1 -5,-2.6 1,-0.1 -1,-0.2 -0.374 35.5-136.2 -60.3 124.0 22.3 3.0 73.5 32 76 A E E +B 25 0A 69 -7,-0.2 54,-0.3 -2,-0.2 2,-0.3 -0.582 33.3 163.0 -74.3 141.8 23.5 6.1 71.7 33 77 A C E -B 24 0A 2 -9,-2.6 -9,-3.0 -2,-0.2 2,-0.4 -0.958 35.8-114.5-150.2 166.9 20.9 8.5 70.3 34 78 A A E -BC 23 84A 8 50,-2.9 50,-2.9 -2,-0.3 2,-0.4 -0.893 26.7-161.7-104.7 141.5 20.5 12.1 69.1 35 79 A V E -BC 22 83A 0 -13,-2.8 -13,-2.7 -2,-0.4 2,-0.6 -0.990 7.7-155.0-125.7 129.7 18.4 14.6 71.1 36 80 A K E -BC 21 82A 22 46,-2.2 46,-2.6 -2,-0.4 2,-0.6 -0.903 12.4-155.3 -99.8 123.5 17.1 17.9 69.7 37 81 A V E -BC 20 81A 30 -17,-2.7 -17,-0.9 -2,-0.6 2,-0.6 -0.911 6.9-166.1-104.8 117.3 16.5 20.4 72.5 38 82 A I E - C 0 80A 0 42,-2.6 42,-2.1 -2,-0.6 2,-0.6 -0.924 15.1-139.5-109.9 112.2 13.8 23.0 71.7 39 83 A S E > - C 0 79A 11 -2,-0.6 4,-3.1 -21,-0.4 40,-0.2 -0.621 3.0-154.8 -74.6 115.9 13.7 26.0 74.0 40 84 A K T 4 S+ 0 0 51 38,-1.9 -1,-0.2 -2,-0.6 39,-0.1 0.790 96.7 50.3 -58.9 -31.6 10.1 27.0 74.7 41 85 A R T 4 S+ 0 0 210 37,-0.6 -1,-0.2 1,-0.1 38,-0.1 0.962 117.5 35.6 -69.2 -57.7 11.3 30.5 75.4 42 86 A Q T 4 S+ 0 0 106 1,-0.2 2,-0.5 -24,-0.0 -2,-0.2 0.771 120.4 53.7 -69.8 -28.8 13.4 30.9 72.2 43 87 A V S < S- 0 0 10 -4,-3.1 -1,-0.2 -25,-0.1 2,-0.1 -0.932 74.9-147.3-118.5 113.8 10.9 28.9 70.1 44 88 A K - 0 0 143 -2,-0.5 115,-2.3 115,-0.2 2,-0.3 -0.431 17.9-129.8 -67.3 144.1 7.2 29.7 69.9 45 89 A Q B -E 158 0B 49 113,-0.2 113,-0.3 -5,-0.1 112,-0.1 -0.742 8.4-155.7 -91.3 149.2 4.8 26.8 69.4 46 90 A K S S+ 0 0 81 111,-2.7 2,-0.2 -2,-0.3 112,-0.2 0.787 70.7 33.1 -89.2 -34.1 2.2 27.0 66.6 47 91 A T S S- 0 0 46 110,-0.6 2,-0.1 1,-0.1 -2,-0.1 -0.548 91.2 -77.7-121.5 175.4 -0.4 24.6 68.0 48 92 A D >> - 0 0 88 -2,-0.2 4,-1.8 1,-0.1 3,-0.6 -0.391 44.2-113.1 -70.9 156.2 -1.9 23.3 71.3 49 93 A K H 3> S+ 0 0 82 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.808 114.7 61.8 -62.6 -31.2 -0.0 20.7 73.3 50 94 A E H 3> S+ 0 0 130 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.855 104.9 46.6 -65.0 -36.4 -2.6 18.0 72.5 51 95 A S H <> S+ 0 0 31 -3,-0.6 4,-2.5 2,-0.2 -2,-0.2 0.907 114.4 48.0 -70.8 -43.5 -1.9 18.3 68.8 52 96 A L H X S+ 0 0 4 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.940 112.1 48.6 -59.6 -50.5 1.8 18.1 69.4 53 97 A L H X S+ 0 0 82 -4,-3.2 4,-2.2 1,-0.2 -1,-0.2 0.895 113.1 48.5 -59.7 -40.0 1.5 15.2 71.8 54 98 A R H X S+ 0 0 174 -4,-1.8 4,-2.2 -5,-0.2 -1,-0.2 0.927 111.7 47.6 -66.7 -46.7 -0.7 13.3 69.3 55 99 A E H X S+ 0 0 37 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.895 111.6 51.3 -62.8 -40.5 1.6 14.0 66.3 56 100 A V H X S+ 0 0 11 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.934 108.7 50.8 -59.2 -46.3 4.6 12.8 68.4 57 101 A Q H X S+ 0 0 95 -4,-2.2 4,-0.8 1,-0.2 -2,-0.2 0.883 111.6 48.8 -61.5 -37.7 2.8 9.6 69.4 58 102 A L H >X S+ 0 0 54 -4,-2.2 3,-1.3 1,-0.2 4,-0.6 0.955 108.2 53.1 -63.6 -49.6 2.1 9.1 65.7 59 103 A L H >< S+ 0 0 29 -4,-2.7 3,-1.1 1,-0.3 11,-0.4 0.862 103.7 57.5 -55.6 -40.9 5.7 9.7 64.7 60 104 A K H 3< S+ 0 0 74 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.764 105.9 50.5 -59.1 -29.0 6.9 7.1 67.2 61 105 A Q H << S+ 0 0 113 -3,-1.3 -1,-0.2 -4,-0.8 -2,-0.2 0.575 94.6 92.5 -87.4 -10.8 4.8 4.4 65.5 62 106 A L << - 0 0 19 -3,-1.1 2,-0.3 -4,-0.6 8,-0.2 -0.547 51.1-176.5 -92.0 152.7 6.1 5.1 62.0 63 107 A D + 0 0 103 -2,-0.2 5,-0.1 6,-0.1 6,-0.0 -0.949 15.3 146.0-153.4 124.7 9.0 3.4 60.3 64 108 A H > - 0 0 34 3,-0.4 3,-1.6 -2,-0.3 53,-0.0 -0.958 46.6-127.1-158.7 138.1 10.7 3.9 57.0 65 109 A P T 3 S+ 0 0 69 0, 0.0 4,-0.1 0, 0.0 52,-0.1 0.644 110.7 48.1 -69.3 -11.1 14.4 3.5 56.0 66 110 A N T 3 S+ 0 0 12 82,-0.1 83,-3.0 2,-0.1 2,-0.4 0.308 101.2 77.3-106.7 11.7 14.6 7.0 54.5 67 111 A I B < S-f 149 0C 16 -3,-1.6 -3,-0.4 81,-0.3 83,-0.2 -0.971 88.6-110.2-121.2 130.0 12.9 8.7 57.5 68 112 A M - 0 0 52 81,-2.4 2,-0.5 -2,-0.4 -2,-0.1 -0.333 36.5-121.4 -53.3 132.5 14.7 9.5 60.8 69 113 A K - 0 0 30 -4,-0.1 16,-2.4 -6,-0.0 2,-0.4 -0.702 19.7-152.8 -83.1 124.3 13.4 7.3 63.6 70 114 A L E +D 84 0A 26 -2,-0.5 14,-0.3 -11,-0.4 3,-0.1 -0.823 17.3 174.2 -93.8 131.3 11.9 9.1 66.6 71 115 A Y E - 0 0 82 12,-3.2 2,-0.3 -2,-0.4 13,-0.2 0.804 55.0 -4.9-101.9 -43.9 12.1 7.2 69.9 72 116 A E E -D 83 0A 35 11,-2.0 11,-2.8 2,-0.0 2,-0.4 -0.977 46.5-143.5-157.0 162.9 10.8 9.5 72.6 73 117 A F E +D 82 0A 33 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -1.000 17.8 177.4-137.7 131.0 9.6 12.9 73.8 74 118 A F E -D 81 0A 13 7,-2.4 7,-3.2 -2,-0.4 2,-0.3 -0.949 5.1-169.1-129.3 159.4 10.2 14.8 77.0 75 119 A E E +D 80 0A 60 -74,-0.4 2,-0.2 -2,-0.3 5,-0.2 -0.998 8.3 172.2-144.9 138.3 9.2 18.2 78.3 76 120 A D - 0 0 71 3,-2.2 3,-0.2 -2,-0.3 -2,-0.0 -0.708 57.2 -77.9-126.5-171.0 10.1 20.4 81.3 77 121 A K S S+ 0 0 206 -2,-0.2 3,-0.0 1,-0.2 -2,-0.0 0.811 129.0 26.3 -56.0 -32.5 9.2 24.0 82.1 78 122 A G S S+ 0 0 28 1,-0.1 -38,-1.9 -38,-0.1 -37,-0.6 0.570 119.7 33.3-110.1 -12.9 11.8 25.4 79.6 79 123 A Y E -C 39 0A 86 -40,-0.2 -3,-2.2 -3,-0.2 2,-0.4 -0.957 50.9-139.9-146.9 156.0 12.4 22.7 76.9 80 124 A F E -CD 38 75A 0 -42,-2.1 -42,-2.6 -2,-0.3 2,-0.5 -0.947 23.2-157.9-107.7 141.5 11.1 19.9 74.7 81 125 A Y E -CD 37 74A 35 -7,-3.2 -7,-2.4 -2,-0.4 2,-0.6 -0.977 4.6-167.2-122.0 116.9 13.5 17.0 74.2 82 126 A L E -CD 36 73A 17 -46,-2.6 -46,-2.2 -2,-0.5 2,-0.5 -0.917 9.2-157.9-107.9 114.6 13.0 15.0 71.1 83 127 A V E +CD 35 72A 0 -11,-2.8 -12,-3.2 -2,-0.6 -11,-2.0 -0.812 25.6 142.1-101.4 125.7 14.9 11.7 71.1 84 128 A G E -CD 34 70A 0 -50,-2.9 -50,-2.9 -2,-0.5 -14,-0.2 -0.816 50.5 -57.2-145.0-174.3 15.8 9.8 67.9 85 129 A E - 0 0 60 -16,-2.4 2,-0.4 -2,-0.2 -52,-0.1 -0.465 48.7-132.2 -70.2 136.4 18.3 7.7 66.0 86 130 A V - 0 0 29 -54,-0.3 2,-0.4 -2,-0.2 -1,-0.1 -0.776 15.8-160.0 -94.4 133.6 21.7 9.3 65.4 87 131 A Y - 0 0 25 -2,-0.4 3,-0.2 1,-0.1 52,-0.2 -0.946 7.1-171.2-115.2 136.1 23.1 9.2 61.9 88 132 A T + 0 0 115 51,-0.6 53,-0.2 -2,-0.4 51,-0.2 0.373 63.2 87.5-113.8 1.3 26.9 9.6 61.4 89 133 A G S S- 0 0 2 49,-2.2 50,-0.2 51,-0.2 51,-0.2 0.417 83.6-136.2 -84.7 0.5 27.4 10.0 57.6 90 134 A G - 0 0 37 48,-0.4 48,-2.6 -3,-0.2 -1,-0.2 -0.129 45.7 -25.4 74.7-174.8 26.8 13.8 57.6 91 135 A E B > -G 137 0C 40 46,-0.2 4,-0.9 1,-0.1 3,-0.4 -0.490 60.0-122.5 -75.2 141.4 24.8 15.9 55.1 92 136 A L H >> S+ 0 0 1 44,-2.9 4,-2.3 41,-0.5 3,-1.1 0.895 109.0 51.0 -48.7 -50.1 24.3 14.4 51.6 93 137 A F H 3> S+ 0 0 1 1,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.856 101.5 60.0 -64.5 -36.9 25.9 17.4 49.8 94 138 A D H 34 S+ 0 0 48 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.2 0.722 111.0 44.5 -62.6 -22.0 29.1 17.4 51.9 95 139 A E H X< S+ 0 0 9 -3,-1.1 3,-1.9 -4,-0.9 4,-0.4 0.884 109.6 53.8 -82.0 -47.6 29.6 13.8 50.6 96 140 A I H >< S+ 0 0 1 -4,-2.3 3,-1.7 1,-0.3 -2,-0.2 0.850 99.5 61.8 -58.5 -38.5 28.7 14.6 47.0 97 141 A I T 3< S+ 0 0 28 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.1 0.587 99.5 56.9 -65.3 -13.3 31.3 17.4 46.8 98 142 A S T < S+ 0 0 78 -3,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.503 86.2 103.7 -92.4 -9.0 34.1 14.9 47.5 99 143 A R < - 0 0 22 -3,-1.7 3,-0.1 -4,-0.4 -3,-0.0 -0.460 57.0-157.7 -77.0 149.4 33.1 12.7 44.5 100 144 A K S S+ 0 0 187 1,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.753 82.7 33.8 -91.8 -33.3 35.1 12.6 41.3 101 145 A R + 0 0 144 182,-0.0 2,-0.3 177,-0.0 -1,-0.2 -0.953 60.6 170.4-123.5 148.0 32.3 11.3 39.2 102 146 A F + 0 0 4 -2,-0.3 177,-3.5 -3,-0.1 2,-0.2 -0.900 10.4 177.3-156.1 120.6 28.5 11.9 39.4 103 147 A S > - 0 0 7 -2,-0.3 4,-2.2 175,-0.2 5,-0.1 -0.569 48.1 -92.9-116.8-178.2 25.9 10.8 36.8 104 148 A E H > S+ 0 0 18 173,-0.3 4,-3.2 1,-0.2 5,-0.2 0.829 124.3 59.5 -63.8 -33.8 22.1 10.9 36.4 105 149 A V H > S+ 0 0 2 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.898 105.4 47.1 -61.4 -41.3 22.0 7.4 37.9 106 150 A D H > S+ 0 0 15 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.939 114.5 47.7 -67.1 -45.8 23.6 8.7 41.1 107 151 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.909 111.7 50.6 -55.7 -45.9 21.1 11.6 41.1 108 152 A A H X S+ 0 0 0 -4,-3.2 4,-2.8 1,-0.2 -2,-0.2 0.917 108.8 50.4 -62.5 -43.9 18.2 9.3 40.4 109 153 A R H X S+ 0 0 83 -4,-2.3 4,-1.1 158,-0.3 -1,-0.2 0.896 112.0 48.0 -63.0 -42.9 19.1 6.9 43.3 110 154 A I H >X S+ 0 0 9 -4,-2.0 4,-1.5 1,-0.2 3,-0.5 0.951 115.2 44.9 -56.8 -52.8 19.4 9.9 45.7 111 155 A I H 3X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.807 106.1 58.7 -70.0 -31.7 16.0 11.3 44.6 112 156 A R H 3X S+ 0 0 119 -4,-2.8 4,-1.8 2,-0.2 -1,-0.2 0.833 107.0 50.2 -62.2 -32.4 14.2 7.9 44.6 113 157 A Q H S+ 0 0 2 -4,-2.1 5,-2.5 2,-0.2 3,-0.4 0.875 109.1 53.7 -70.7 -35.4 5.0 10.4 55.3 122 166 A H H ><5S+ 0 0 29 -4,-2.8 3,-1.8 1,-0.2 -2,-0.2 0.862 101.2 59.9 -67.6 -33.8 2.3 11.9 53.0 123 167 A K H 3<5S+ 0 0 144 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.846 107.9 46.1 -55.7 -35.3 0.4 8.7 53.4 124 168 A N T 3<5S- 0 0 51 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.245 120.3-113.5 -94.1 12.1 0.4 9.5 57.1 125 169 A K T < 5S+ 0 0 189 -3,-1.8 2,-0.5 1,-0.2 -3,-0.2 0.786 70.1 140.3 62.2 32.3 -0.6 13.1 56.4 126 170 A I < - 0 0 2 -5,-2.5 2,-0.3 -8,-0.1 -1,-0.2 -0.936 33.1-164.6-107.9 129.1 2.7 14.5 57.7 127 171 A V - 0 0 25 -2,-0.5 26,-1.4 1,-0.1 29,-0.3 -0.821 14.2-162.9-111.6 145.6 4.2 17.4 55.7 128 172 A H + 0 0 2 -2,-0.3 27,-0.5 24,-0.2 2,-0.5 0.911 12.2 177.9 -90.1 -58.2 7.8 18.6 56.0 129 173 A R S S+ 0 0 28 56,-0.1 46,-0.3 1,-0.1 -1,-0.1 -0.145 72.8 61.8 81.6 -35.3 7.6 22.1 54.4 130 174 A D + 0 0 35 -2,-0.5 2,-0.2 21,-0.1 -1,-0.1 -0.150 67.4 155.9-114.6 34.8 11.3 22.8 55.0 131 175 A L + 0 0 2 42,-0.1 20,-0.1 3,-0.1 3,-0.0 -0.459 16.0 140.4 -66.4 127.0 12.9 20.0 52.9 132 176 A K > - 0 0 11 -2,-0.2 3,-2.2 1,-0.1 4,-0.1 -0.957 66.6 -88.6-160.0 165.9 16.4 21.1 51.9 133 177 A P G > S+ 0 0 9 0, 0.0 3,-2.2 0, 0.0 -41,-0.5 0.852 121.0 63.4 -52.7 -38.2 19.8 19.4 51.5 134 178 A E G 3 S+ 0 0 43 1,-0.3 -3,-0.1 -43,-0.1 35,-0.0 0.683 99.1 57.0 -60.7 -21.1 20.7 20.1 55.2 135 179 A N G < S+ 0 0 4 -3,-2.2 15,-2.5 -5,-0.1 2,-0.7 0.227 87.4 87.0 -95.1 9.1 17.8 17.8 56.1 136 180 A L E < - H 0 149C 0 -3,-2.2 -44,-2.9 13,-0.2 2,-0.3 -0.912 60.7-179.8-111.6 100.9 19.2 14.9 54.2 137 181 A L E -GH 91 148C 37 11,-2.5 11,-3.1 -2,-0.7 2,-0.3 -0.682 19.7-134.2 -96.9 153.2 21.6 12.9 56.4 138 182 A L E - H 0 147C 4 -48,-2.6 -49,-2.2 -2,-0.3 -48,-0.4 -0.801 11.0-138.4-102.8 145.9 23.6 9.8 55.5 139 183 A E S S+ 0 0 67 7,-1.9 -51,-0.6 -2,-0.3 2,-0.3 0.731 96.9 7.3 -73.0 -23.5 23.9 6.7 57.7 140 184 A S S S- 0 0 54 6,-0.3 2,-2.3 2,-0.2 5,-0.3 -0.966 86.8-102.7-152.0 152.9 27.5 6.7 56.6 141 185 A K S S+ 0 0 150 -2,-0.3 2,-0.3 -53,-0.2 -51,-0.1 -0.433 84.7 106.6 -73.5 77.8 29.8 9.2 54.6 142 186 A S S > S- 0 0 38 -2,-2.3 3,-0.9 -53,-0.1 -2,-0.2 -0.984 79.3-123.1-155.4 147.7 29.6 7.0 51.5 143 187 A K T 3 S+ 0 0 86 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.1 0.727 115.0 53.7 -69.3 -19.0 27.9 7.2 48.1 144 188 A D T 3 S+ 0 0 123 2,-0.1 -1,-0.2 -3,-0.0 -3,-0.1 0.537 86.4 109.6 -88.8 -9.9 26.3 3.8 48.9 145 189 A A S < S- 0 0 12 -3,-0.9 2,-0.1 -5,-0.3 -4,-0.0 -0.281 74.0-102.3 -73.9 153.2 24.8 4.8 52.3 146 190 A N - 0 0 64 1,-0.1 -7,-1.9 -8,-0.0 2,-0.4 -0.459 30.7-127.3 -71.5 143.4 21.1 5.3 53.0 147 191 A I E - H 0 138C 2 -9,-0.2 2,-0.5 -2,-0.1 -9,-0.2 -0.767 19.4-163.6 -90.5 134.1 19.6 8.8 53.2 148 192 A R E - H 0 137C 30 -11,-3.1 -11,-2.5 -2,-0.4 2,-0.5 -0.989 12.7-141.0-118.9 124.2 17.5 9.7 56.2 149 193 A I E -fH 67 136C 1 -83,-3.0 -81,-2.4 -2,-0.5 2,-0.3 -0.720 21.3-159.6 -81.3 126.7 15.2 12.7 56.0 150 194 A I + 0 0 24 -15,-2.5 -15,-0.0 -2,-0.5 -81,-0.0 -0.740 60.5 30.1-106.0 155.0 15.2 14.7 59.3 151 195 A D > + 0 0 19 -2,-0.3 3,-1.7 1,-0.2 4,-0.5 0.389 65.8 162.4 80.0 9.1 12.7 17.3 60.6 152 196 A F T 3 S+ 0 0 13 1,-0.2 -1,-0.2 -3,-0.2 -24,-0.2 -0.244 71.8 9.6 -52.1 134.6 9.4 15.9 59.1 153 197 A G T > S+ 0 0 1 -26,-1.4 3,-0.5 1,-0.1 4,-0.5 0.248 96.3 106.1 81.3 -14.9 6.4 17.3 60.9 154 198 A L G X> S+ 0 0 22 -3,-1.7 4,-1.6 1,-0.2 3,-1.5 0.891 72.3 59.1 -65.9 -38.1 8.3 19.9 63.0 155 199 A S G 34 S+ 0 0 2 -27,-0.5 -1,-0.2 -4,-0.5 5,-0.1 0.734 95.7 64.2 -66.7 -23.2 7.1 23.0 61.0 156 200 A T G <4 S+ 0 0 49 -3,-0.5 -1,-0.3 -29,-0.3 -2,-0.2 0.797 117.1 26.0 -65.3 -28.9 3.5 22.2 61.7 157 201 A H T <4 S+ 0 0 5 -3,-1.5 -111,-2.7 -4,-0.5 -110,-0.6 0.558 116.7 55.1-115.2 -13.1 4.1 22.7 65.5 158 202 A F B < S-E 45 0B 1 -4,-1.6 2,-0.3 -113,-0.3 -113,-0.2 -0.986 73.9-125.0-133.1 135.3 7.0 25.2 65.9 159 203 A E - 0 0 98 -115,-2.3 -115,-0.2 -2,-0.4 2,-0.1 -0.599 31.4-118.4 -82.8 135.0 7.6 28.7 64.4 160 204 A A - 0 0 55 -2,-0.3 2,-0.1 -5,-0.1 -1,-0.1 -0.415 27.9-113.4 -71.8 143.7 10.7 29.2 62.4 161 205 A S - 0 0 53 -2,-0.1 -1,-0.1 1,-0.1 -118,-0.0 -0.436 9.1-144.5 -75.6 152.3 13.3 31.7 63.6 162 206 A K + 0 0 195 -2,-0.1 2,-0.3 4,-0.0 -1,-0.1 0.230 62.4 119.4-100.9 9.4 14.0 34.9 61.6 163 207 A K >> - 0 0 114 1,-0.1 3,-1.4 2,-0.0 4,-0.6 -0.632 66.4-135.7 -74.3 133.2 17.7 34.9 62.5 164 208 A M G >4 S+ 0 0 32 -2,-0.3 3,-1.1 1,-0.3 4,-0.3 0.846 101.4 64.2 -64.3 -36.2 19.8 34.6 59.3 165 209 A K G 34 S+ 0 0 71 1,-0.2 3,-0.3 2,-0.2 -1,-0.3 0.777 105.7 47.5 -51.3 -30.4 22.1 32.0 60.8 166 210 A D G <4 S+ 0 0 42 -3,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.642 114.2 43.7 -87.8 -17.7 19.1 29.7 61.1 167 211 A K X< + 0 0 48 -3,-1.1 3,-1.3 -4,-0.6 4,-0.5 0.042 69.7 146.2-124.8 27.0 17.7 30.1 57.6 168 212 A I T 3 S+ 0 0 12 -3,-0.3 244,-0.1 -4,-0.3 243,-0.0 -0.479 81.1 4.4 -70.2 129.2 20.7 30.0 55.2 169 213 A G T >> S+ 0 0 12 -2,-0.2 3,-1.1 242,-0.2 4,-0.6 0.266 95.5 116.9 82.1 -11.3 19.8 28.4 51.9 170 214 A T H X> + 0 0 38 -3,-1.3 3,-1.0 1,-0.2 4,-0.9 0.870 66.0 62.9 -58.7 -35.3 16.1 28.1 53.0 171 215 A A H 34 S+ 0 0 6 -4,-0.5 -1,-0.2 1,-0.2 3,-0.2 0.771 93.7 61.7 -62.5 -30.1 14.9 30.4 50.2 172 216 A Y H <4 S+ 0 0 7 -3,-1.1 34,-0.3 1,-0.2 -1,-0.2 0.840 112.4 33.8 -65.4 -32.3 16.1 28.2 47.3 173 217 A Y H << S+ 0 0 11 -3,-1.0 -1,-0.2 -4,-0.6 2,-0.2 0.504 85.5 112.8-107.1 -11.9 13.8 25.2 48.3 174 218 A I < - 0 0 34 -4,-0.9 -44,-0.1 -3,-0.2 14,-0.1 -0.484 68.0-117.8 -75.7 135.7 10.6 26.7 49.6 175 219 A A >> - 0 0 0 -46,-0.3 4,-1.3 -2,-0.2 3,-1.2 -0.404 17.8-125.5 -72.1 143.4 7.4 26.3 47.6 176 220 A P H 3> S+ 0 0 1 0, 0.0 4,-1.3 0, 0.0 3,-0.1 0.858 110.3 57.8 -59.2 -35.2 5.8 29.5 46.3 177 221 A E H 3> S+ 0 0 17 1,-0.2 4,-0.8 2,-0.2 5,-0.4 0.725 100.2 58.5 -70.7 -21.4 2.5 28.5 47.9 178 222 A V H <4 S+ 0 0 17 -3,-1.2 3,-0.5 2,-0.2 -1,-0.2 0.885 101.8 54.4 -70.0 -40.8 4.2 28.4 51.3 179 223 A L H < S+ 0 0 61 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.893 112.4 44.4 -56.1 -38.0 5.3 32.0 50.8 180 224 A H H < S- 0 0 113 -4,-1.3 -1,-0.2 2,-0.2 -2,-0.2 0.568 114.9-114.4 -91.6 -11.8 1.6 32.9 50.3 181 225 A G S < S+ 0 0 49 -4,-0.8 2,-0.8 -3,-0.5 -3,-0.1 -0.043 84.2 97.1 112.7 -31.1 0.1 30.8 53.2 182 226 A T + 0 0 129 -5,-0.4 2,-0.3 2,-0.0 -2,-0.2 -0.831 51.4 144.5 -97.1 108.9 -2.0 28.1 51.6 183 227 A Y + 0 0 79 -2,-0.8 2,-0.2 -5,-0.1 -5,-0.0 -0.977 21.8 173.4-144.0 157.9 0.0 24.9 51.4 184 228 A D > - 0 0 71 -2,-0.3 3,-2.0 -55,-0.0 4,-0.2 -0.705 61.9 -56.3-142.8-166.0 -0.3 21.1 51.7 185 229 A E T >> S+ 0 0 76 1,-0.3 3,-1.9 -2,-0.2 4,-0.6 0.722 118.0 78.1 -58.5 -23.0 1.9 18.1 51.1 186 230 A K H >> S+ 0 0 28 1,-0.3 4,-1.7 2,-0.2 3,-0.8 0.774 77.8 73.7 -58.7 -23.8 2.6 19.1 47.5 187 231 A C H <> S+ 0 0 0 -3,-2.0 4,-2.1 1,-0.2 -1,-0.3 0.814 91.1 57.3 -59.5 -29.0 5.1 21.7 48.8 188 232 A D H <> S+ 0 0 0 -3,-1.9 4,-1.8 -4,-0.2 -1,-0.2 0.764 101.8 54.2 -74.3 -26.9 7.5 18.8 49.5 189 233 A V H S- 0 0 51 1,-0.1 4,-1.9 201,-0.1 201,-0.2 -0.940 91.0 -77.7-169.2 174.6 20.2 37.8 48.6 211 255 A E H > S+ 0 0 57 199,-0.5 4,-2.5 -2,-0.3 5,-0.2 0.922 124.7 49.6 -56.7 -49.9 17.1 36.3 50.3 212 256 A Y H > S+ 0 0 158 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.909 109.9 50.9 -58.1 -44.4 14.6 38.7 48.8 213 257 A D H > S+ 0 0 63 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.870 112.0 46.6 -61.3 -40.5 15.9 38.2 45.2 214 258 A I H >X S+ 0 0 6 -4,-1.9 4,-2.2 2,-0.2 3,-0.5 0.958 113.0 48.7 -66.0 -51.2 15.7 34.5 45.5 215 259 A L H 3X S+ 0 0 36 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.815 107.0 56.5 -57.7 -35.6 12.2 34.5 47.0 216 260 A K H 3X S+ 0 0 129 -4,-2.2 4,-1.7 -5,-0.2 -1,-0.2 0.869 109.0 46.9 -65.7 -35.9 11.0 36.9 44.3 217 261 A K H S+ 0 0 114 -4,-1.3 4,-1.6 -3,-0.5 5,-0.6 0.885 111.8 50.0 -73.4 -38.3 12.1 34.4 41.7 218 262 A V H <5S+ 0 0 0 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.944 110.1 50.9 -62.9 -46.9 10.4 31.5 43.5 219 263 A E H <5S+ 0 0 87 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.886 110.0 48.3 -60.5 -40.5 7.2 33.4 43.7 220 264 A K H <5S- 0 0 152 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.784 98.2-152.5 -68.3 -29.8 7.3 34.2 40.0 221 265 A G T <5 + 0 0 13 -4,-1.6 2,-0.4 1,-0.2 -3,-0.1 0.562 42.5 138.4 75.8 9.0 7.9 30.5 39.6 222 266 A K < + 0 0 161 -5,-0.6 2,-0.3 25,-0.0 -1,-0.2 -0.766 17.4 151.7 -95.6 132.8 9.8 30.8 36.3 223 267 A Y - 0 0 47 -2,-0.4 2,-0.3 -17,-0.1 -17,-0.1 -0.960 20.6-156.4-151.4 162.0 13.0 28.8 35.6 224 268 A T - 0 0 72 -2,-0.3 3,-0.2 -19,-0.2 -2,-0.0 -0.860 30.8-130.3-136.7 167.8 14.8 27.3 32.6 225 269 A F + 0 0 35 -2,-0.3 5,-0.2 1,-0.1 13,-0.0 -0.110 67.6 127.2-103.4 30.2 17.2 24.6 31.4 226 270 A E + 0 0 164 3,-0.1 -1,-0.1 4,-0.1 5,-0.1 0.735 38.2 103.3 -56.6 -31.7 19.2 27.4 29.6 227 271 A L S > S- 0 0 61 -3,-0.2 3,-1.5 1,-0.1 4,-0.2 -0.183 80.2-120.1 -64.1 151.8 22.5 26.5 31.2 228 272 A P G > S+ 0 0 97 0, 0.0 3,-2.2 0, 0.0 4,-0.3 0.891 108.0 63.6 -58.8 -41.4 25.1 24.6 29.1 229 273 A Q G > S+ 0 0 12 1,-0.3 3,-0.5 2,-0.2 53,-0.1 0.570 85.1 75.1 -67.0 -9.0 25.3 21.6 31.4 230 274 A W G X S+ 0 0 1 -3,-1.5 3,-1.0 1,-0.2 -1,-0.3 0.607 81.0 71.9 -74.6 -13.1 21.6 20.8 30.7 231 275 A K G < S+ 0 0 175 -3,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.833 92.3 56.1 -67.1 -32.3 22.6 19.5 27.3 232 276 A K G < S+ 0 0 86 -3,-0.5 2,-0.4 -4,-0.3 -1,-0.2 0.383 95.6 89.1 -80.1 6.5 24.3 16.5 29.1 233 277 A V S < S- 0 0 10 -3,-1.0 -3,-0.0 1,-0.0 -33,-0.0 -0.873 82.2-110.1-112.7 139.8 20.9 15.6 30.8 234 278 A S > - 0 0 24 -2,-0.4 4,-1.7 1,-0.1 3,-0.2 -0.239 19.1-126.6 -62.9 147.5 18.1 13.4 29.5 235 279 A E H > S+ 0 0 111 1,-0.2 4,-2.4 2,-0.2 -1,-0.1 0.818 111.5 63.0 -59.4 -32.1 14.8 14.9 28.4 236 280 A S H > S+ 0 0 23 2,-0.2 4,-1.8 1,-0.2 27,-0.3 0.909 100.5 48.1 -61.0 -50.2 13.3 12.4 30.8 237 281 A A H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.941 113.7 49.6 -51.7 -48.4 15.0 13.9 33.9 238 282 A K H X S+ 0 0 20 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.865 105.5 56.2 -62.3 -40.1 13.8 17.4 32.7 239 283 A D H X S+ 0 0 53 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.901 108.4 47.3 -57.6 -45.3 10.3 16.1 32.2 240 284 A L H X S+ 0 0 0 -4,-1.8 4,-2.7 1,-0.2 5,-0.2 0.886 109.7 53.7 -64.4 -40.5 10.1 15.0 35.9 241 285 A I H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.886 106.7 52.2 -60.3 -37.7 11.5 18.3 37.0 242 286 A R H < S+ 0 0 99 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.889 112.0 45.8 -66.3 -39.7 8.8 20.1 35.1 243 287 A K H >< S+ 0 0 79 -4,-1.7 10,-1.3 1,-0.2 3,-0.8 0.870 114.6 46.2 -70.5 -38.6 6.2 18.1 36.8 244 288 A M H 3< S+ 0 0 0 -4,-2.7 -51,-0.2 1,-0.2 -2,-0.2 0.811 115.6 47.1 -73.8 -28.8 7.7 18.5 40.3 245 289 A L T 3< S+ 0 0 6 -4,-2.1 -1,-0.2 -5,-0.2 2,-0.2 0.103 78.5 138.6-100.2 22.3 8.2 22.3 39.7 246 290 A T < - 0 0 44 -3,-0.8 6,-0.2 1,-0.1 -3,-0.1 -0.510 52.0-137.2 -68.0 133.7 4.6 22.8 38.4 247 291 A Y S S+ 0 0 87 -2,-0.2 -70,-0.2 -26,-0.1 -1,-0.1 0.919 84.2 62.3 -68.8 -52.9 3.3 26.0 39.9 248 292 A V S >> S- 0 0 75 1,-0.1 3,-1.2 2,-0.0 4,-1.1 -0.649 79.6-142.0 -78.7 122.7 -0.2 25.3 40.9 249 293 A P T 34 S+ 0 0 29 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.821 97.5 57.2 -61.4 -34.0 -0.0 22.5 43.5 250 294 A S T 34 S+ 0 0 101 1,-0.3 4,-0.1 -3,-0.0 -3,-0.0 0.767 111.5 45.2 -67.5 -24.3 -3.1 20.6 42.4 251 295 A M T <4 S+ 0 0 137 -3,-1.2 -1,-0.3 2,-0.1 2,-0.2 0.633 95.0 100.3 -87.8 -18.1 -1.5 20.4 38.9 252 296 A R S < S- 0 0 3 -4,-1.1 -8,-0.2 -3,-0.2 -9,-0.1 -0.476 83.6-106.3 -71.4 138.4 1.8 19.4 40.5 253 297 A I - 0 0 28 -10,-1.3 2,-0.1 -2,-0.2 -1,-0.1 -0.205 34.8-114.9 -58.9 149.4 2.7 15.7 40.5 254 298 A S > - 0 0 33 1,-0.1 4,-1.6 -4,-0.1 5,-0.1 -0.429 20.1-114.7 -79.3 161.1 2.4 13.7 43.7 255 299 A A H > S+ 0 0 3 2,-0.2 4,-1.9 1,-0.2 -136,-0.2 0.871 118.4 54.2 -58.7 -39.0 5.4 12.1 45.5 256 300 A R H > S+ 0 0 116 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.960 111.4 43.2 -61.6 -50.7 3.8 8.7 44.7 257 301 A D H 4 S+ 0 0 89 1,-0.2 4,-0.2 2,-0.2 -1,-0.2 0.739 107.8 59.4 -70.0 -23.8 3.5 9.4 41.0 258 302 A A H >< S+ 0 0 0 -4,-1.6 3,-1.5 1,-0.2 6,-0.3 0.917 102.3 54.0 -71.8 -38.5 7.0 10.9 40.9 259 303 A L H 3< S+ 0 0 34 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.819 107.8 51.7 -54.0 -35.7 8.4 7.5 42.2 260 304 A D T 3< S+ 0 0 77 -4,-1.0 -1,-0.3 -5,-0.1 -2,-0.2 0.489 84.9 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82 -4,-1.7 4,-4.1 2,-0.2 5,-0.3 0.954 115.1 42.8 -50.7 -59.5 41.3 34.9 78.7 372 430 A V H X S+ 0 0 31 -4,-1.8 4,-1.2 1,-0.2 5,-0.4 0.926 113.1 53.1 -58.6 -49.1 42.4 31.3 78.1 373 431 A A H X S+ 0 0 0 -4,-3.0 4,-2.1 2,-0.2 -1,-0.2 0.921 125.0 24.5 -47.5 -54.2 38.9 29.9 78.9 374 432 A M H X S+ 0 0 7 -4,-2.4 4,-1.5 -5,-0.2 -2,-0.2 0.861 117.8 59.5 -85.3 -41.4 37.1 32.2 76.4 375 433 A D H < S+ 0 0 112 -4,-4.1 -3,-0.2 -5,-0.4 -1,-0.2 0.532 118.2 35.0 -70.4 -8.7 40.1 32.8 74.0 376 434 A R H >< S+ 0 0 86 -4,-1.2 3,-3.4 -5,-0.3 -2,-0.2 0.747 106.8 64.7 -98.5 -53.9 40.2 29.0 73.5 377 435 A K H 3< S+ 0 0 104 -4,-2.1 3,-0.4 -5,-0.4 4,-0.2 0.678 95.3 61.8 -47.7 -26.1 36.4 28.1 73.7 378 436 A T T 3X S+ 0 0 20 -4,-1.5 4,-2.2 1,-0.2 -1,-0.3 0.400 77.7 99.6 -76.4 2.5 35.8 30.2 70.5 379 437 A L H X>>S+ 0 0 72 -3,-3.4 4,-3.1 1,-0.2 5,-0.5 0.962 72.2 56.8 -55.3 -59.2 38.1 27.8 68.7 380 438 A L H 3>5S+ 0 0 111 -3,-0.4 4,-1.4 1,-0.3 -1,-0.2 0.791 113.9 40.0 -46.7 -42.5 35.4 25.6 67.1 381 439 A S H 3>5S+ 0 0 8 -3,-0.3 4,-1.5 -4,-0.2 -1,-0.3 0.856 117.8 48.2 -72.8 -38.0 33.8 28.6 65.4 382 440 A R H < + 0 0 8 -4,-2.0 3,-2.0 1,-0.2 -1,-0.2 -0.455 63.1 167.5 -80.2 69.6 39.1 28.6 48.1 394 452 A S T 3 S+ 0 0 106 -2,-2.1 -1,-0.2 1,-0.3 -2,-0.1 0.774 71.8 48.5 -61.9 -31.5 39.2 25.7 45.6 395 453 A D T 3 S- 0 0 118 -3,-0.2 -1,-0.3 1,-0.0 -2,-0.1 0.394 107.6-122.4 -90.2 5.0 42.3 26.9 43.7 396 454 A N < + 0 0 137 -3,-2.0 -2,-0.1 -6,-0.2 -6,-0.0 0.875 64.2 143.7 55.0 40.9 44.3 27.6 46.9 397 455 A S - 0 0 62 2,-0.2 3,-0.1 1,-0.0 -1,-0.1 0.728 58.0-132.9 -78.0 -23.7 44.8 31.2 45.9 398 456 A G S S+ 0 0 22 1,-0.2 38,-0.5 -5,-0.1 2,-0.3 0.464 74.2 88.4 82.1 4.6 44.5 32.3 49.5 399 457 A K - 0 0 75 36,-0.2 2,-0.5 37,-0.1 -1,-0.2 -0.935 63.1-146.5-137.3 153.0 42.1 35.0 48.5 400 458 A I E -J 434 0E 0 34,-2.2 34,-2.0 -2,-0.3 -7,-0.0 -0.990 28.4-130.3-116.7 125.6 38.4 35.7 47.9 401 459 A S E > -J 433 0E 42 -2,-0.5 4,-2.4 32,-0.2 32,-0.3 -0.241 23.1-109.5 -69.9 162.7 37.5 38.2 45.1 402 460 A S H > S+ 0 0 43 30,-1.9 4,-2.2 1,-0.2 5,-0.1 0.854 121.0 55.6 -62.2 -38.1 35.1 41.1 45.6 403 461 A T H > S+ 0 0 107 29,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.884 108.9 47.0 -56.6 -44.9 32.6 39.3 43.4 404 462 A E H > S+ 0 0 68 1,-0.2 4,-3.0 2,-0.2 -2,-0.2 0.874 109.6 53.3 -69.7 -37.8 32.7 36.3 45.7 405 463 A L H X S+ 0 0 0 -4,-2.4 4,-3.2 2,-0.2 5,-0.3 0.909 105.2 55.1 -60.4 -42.0 32.4 38.5 48.7 406 464 A A H X S+ 0 0 48 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.910 113.2 42.5 -58.8 -41.9 29.2 40.0 47.1 407 465 A T H X S+ 0 0 69 -4,-1.6 4,-2.6 2,-0.2 5,-0.3 0.955 114.7 48.4 -66.3 -52.9 27.8 36.5 46.9 408 466 A I H X S+ 0 0 0 -4,-3.0 4,-1.2 1,-0.2 -2,-0.2 0.921 117.5 41.6 -58.2 -46.7 28.9 35.3 50.3 409 467 A F H <>S+ 0 0 1 -4,-3.2 5,-2.7 2,-0.2 4,-0.3 0.834 111.1 56.2 -73.3 -33.2 27.5 38.4 52.0 410 468 A G H ><5S+ 0 0 10 -4,-1.9 3,-2.2 -5,-0.3 -199,-0.5 0.981 108.9 46.3 -57.3 -58.1 24.3 38.4 49.9 411 469 A V H 3<5S+ 0 0 17 -4,-2.6 -242,-0.2 1,-0.3 -1,-0.2 0.814 115.0 50.3 -48.2 -35.4 23.6 34.9 51.0 412 470 A S T 3<5S- 0 0 3 -4,-1.2 -1,-0.3 -5,-0.3 -2,-0.2 0.395 110.5-122.1 -87.1 0.4 24.4 36.1 54.6 413 471 A D T < 5 + 0 0 106 -3,-2.2 2,-0.8 -4,-0.3 -3,-0.2 0.805 59.2 150.1 56.4 31.7 22.1 39.3 54.4 414 472 A V < - 0 0 22 -5,-2.7 -1,-0.2 -6,-0.1 -2,-0.1 -0.872 55.5-110.1 -92.0 116.4 25.0 41.6 55.1 415 473 A D > - 0 0 90 -2,-0.8 4,-2.4 -3,-0.1 5,-0.2 -0.144 18.9-130.1 -47.6 132.0 24.2 44.8 53.3 416 474 A S H > S+ 0 0 66 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.901 107.5 43.1 -52.1 -53.8 26.4 45.5 50.2 417 475 A E H > S+ 0 0 143 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.818 112.1 58.2 -66.9 -30.1 27.3 49.1 51.2 418 476 A T H > S+ 0 0 65 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.961 107.1 42.8 -64.3 -51.9 27.9 47.9 54.8 419 477 A W H X S+ 0 0 6 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.863 112.8 53.7 -71.3 -28.9 30.6 45.3 54.0 420 478 A K H X S+ 0 0 98 -4,-1.7 4,-2.3 -5,-0.2 -1,-0.2 0.873 107.2 51.5 -67.8 -38.9 32.4 47.5 51.5 421 479 A S H X S+ 0 0 64 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.940 111.6 46.9 -61.2 -46.8 32.6 50.3 54.1 422 480 A V H X S+ 0 0 9 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.892 110.1 53.6 -63.2 -39.3 34.1 47.8 56.6 423 481 A L H X S+ 0 0 5 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.906 106.6 52.3 -58.7 -44.9 36.5 46.5 53.9 424 482 A S H < S+ 0 0 46 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.877 109.9 48.7 -60.3 -39.7 37.7 50.1 53.3 425 483 A E H < S+ 0 0 107 -4,-1.8 3,-0.3 1,-0.2 -1,-0.2 0.858 112.9 47.9 -68.3 -38.4 38.4 50.4 57.1 426 484 A V H < S+ 0 0 26 -4,-2.1 2,-0.3 1,-0.2 -2,-0.2 0.906 133.0 6.8 -69.4 -42.7 40.3 47.1 57.2 427 485 A D >< - 0 0 43 -4,-2.7 3,-1.9 -5,-0.1 -1,-0.2 -0.767 55.7-171.2-147.9 95.3 42.5 47.9 54.1 428 486 A K T 3 S+ 0 0 154 -3,-0.3 -1,-0.1 1,-0.3 -2,-0.1 0.906 93.8 47.9 -52.2 -41.8 42.4 51.3 52.4 429 487 A N T 3 S+ 0 0 147 2,-0.1 -1,-0.3 -5,-0.0 2,-0.1 -0.070 78.2 144.7 -94.3 32.0 44.5 49.8 49.5 430 488 A N < - 0 0 44 -3,-1.9 4,-0.1 -7,-0.1 -3,-0.0 -0.419 40.7-151.3 -69.5 150.6 42.5 46.6 48.9 431 489 A D - 0 0 105 2,-0.5 -29,-0.1 -2,-0.1 -1,-0.1 -0.279 61.3 -72.9-120.2 40.6 42.4 45.6 45.3 432 490 A G S S+ 0 0 27 1,-0.2 -30,-1.9 -31,-0.1 2,-0.3 0.839 111.2 80.8 66.9 35.4 39.1 43.8 45.3 433 491 A E E -J 401 0E 60 -32,-0.3 -2,-0.5 -31,-0.1 2,-0.4 -0.944 56.0-158.1-164.7 150.3 40.2 40.7 47.2 434 492 A V E -J 400 0E 0 -34,-2.0 -34,-2.2 -2,-0.3 2,-0.1 -0.967 11.7-138.4-131.2 143.3 40.9 39.7 50.8 435 493 A D > - 0 0 57 -2,-0.4 4,-2.3 -36,-0.2 -36,-0.2 -0.302 46.6 -87.8 -82.1-178.9 42.9 37.0 52.5 436 494 A F H > S+ 0 0 20 -38,-0.5 4,-2.9 1,-0.2 5,-0.2 0.910 126.4 49.6 -60.0 -47.2 41.6 35.0 55.4 437 495 A D H > S+ 0 0 87 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.871 111.3 49.6 -64.0 -38.2 42.7 37.4 58.1 438 496 A E H > S+ 0 0 36 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.917 111.0 50.0 -65.7 -42.6 41.2 40.4 56.3 439 497 A F H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.947 111.3 48.2 -57.9 -51.2 37.9 38.5 55.9 440 498 A Q H X S+ 0 0 32 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.854 109.6 54.0 -57.1 -36.8 38.0 37.7 59.6 441 499 A Q H X S+ 0 0 67 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.921 107.1 51.0 -65.6 -42.6 38.7 41.4 60.3 442 500 A M H X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.963 109.2 50.2 -57.1 -53.2 35.6 42.3 58.2 443 501 A L H < S+ 0 0 0 -4,-2.5 4,-0.4 1,-0.2 -1,-0.2 0.861 108.3 53.0 -54.2 -39.2 33.4 39.9 60.2 444 502 A L H ><>S+ 0 0 42 -4,-2.0 5,-2.3 1,-0.2 3,-1.2 0.933 110.9 46.7 -63.3 -42.6 34.7 41.4 63.5 445 503 A K H ><5S+ 0 0 71 -4,-2.1 3,-0.9 1,-0.2 -1,-0.2 0.763 105.5 60.6 -70.5 -23.9 33.8 44.8 62.3 446 504 A L T 3<5S+ 0 0 38 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.495 106.6 46.9 -81.8 -3.7 30.4 43.6 61.1 447 505 A C T < 5S- 0 0 15 -3,-1.2 -1,-0.2 -4,-0.4 -2,-0.1 -0.209 129.7 -87.1-129.3 40.5 29.5 42.5 64.7 448 506 A G T < 5 0 0 71 -3,-0.9 -3,-0.2 1,-0.1 -2,-0.1 0.711 360.0 360.0 68.2 26.6 30.6 45.7 66.5 449 507 A N < 0 0 82 -5,-2.3 -4,-0.2 -6,-0.2 -3,-0.1 -0.306 360.0 360.0-123.5 360.0 34.2 44.8 67.0