==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR 13-AUG-12 4GL5 . COMPND 2 MOLECULE: CYTOCHROME P450 19A1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.GHOSH . 452 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20135.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 319 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 29 6.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 24 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 190 42.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.3 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 1 1 0 3 0 2 0 1 1 1 1 0 1 1 2 0 0 0 0 0 0 0 1 0 0 0 1 RESIDUES PER ALPHA HELIX . 0 0 0 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 PARALLEL BRIDGES PER LADDER . 1 2 1 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 2 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 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 S 0 0 124 0, 0.0 341,-0.1 0, 0.0 340,-0.0 0.000 360.0 360.0 360.0 -21.6 75.5 80.3 31.6 2 46 A S - 0 0 94 339,-0.3 340,-0.0 1,-0.0 0, 0.0 0.312 360.0 -72.3 65.9 158.3 77.7 81.1 34.7 3 47 A I - 0 0 41 1,-0.0 38,-0.1 38,-0.0 -1,-0.0 -0.684 35.4-139.0-101.2 118.5 77.9 78.8 37.7 4 48 A P + 0 0 43 0, 0.0 38,-2.5 0, 0.0 33,-0.1 -0.278 51.2 100.6 -63.1 155.7 75.2 78.4 40.4 5 49 A G - 0 0 26 36,-0.2 38,-0.1 31,-0.1 3,-0.1 -0.839 67.4 -49.0 149.8 173.2 76.3 78.2 44.1 6 50 A P - 0 0 10 0, 0.0 2,-0.1 0, 0.0 36,-0.1 -0.194 68.1 -80.3 -72.6 166.1 76.8 80.0 47.4 7 51 A G - 0 0 47 1,-0.1 2,-1.6 6,-0.1 5,-0.0 -0.406 24.8-134.0 -69.6 136.5 78.4 83.5 47.8 8 52 A Y - 0 0 153 -2,-0.1 2,-3.3 5,-0.1 -1,-0.1 -0.714 26.2-164.0 -82.4 81.8 82.1 83.9 47.8 9 53 A C - 0 0 71 -2,-1.6 -1,-0.1 1,-0.2 -2,-0.1 -0.198 60.0 -74.0 -71.8 53.5 81.7 86.2 50.9 10 54 A M S S- 0 0 167 -2,-3.3 -1,-0.2 1,-0.2 -2,-0.0 0.972 109.7 -26.2 49.3 63.8 85.3 87.5 50.3 11 55 A G S S+ 0 0 31 1,-0.0 -1,-0.2 4,-0.0 4,-0.1 0.538 126.1 91.3 82.9 8.4 87.0 84.4 51.6 12 56 A I S >> S+ 0 0 92 2,-0.1 4,-2.2 3,-0.1 3,-0.6 0.780 75.2 63.1 -99.0 -36.8 84.1 83.3 53.9 13 57 A G H >> S+ 0 0 1 1,-0.2 4,-2.4 2,-0.2 3,-0.6 0.962 101.5 49.7 -46.8 -68.3 82.3 81.2 51.3 14 58 A P H 3> S+ 0 0 17 0, 0.0 4,-1.5 0, 0.0 5,-0.2 0.721 111.9 51.1 -43.8 -30.7 85.2 78.6 50.9 15 59 A L H <> S+ 0 0 122 -3,-0.6 4,-2.0 2,-0.2 -2,-0.2 0.878 110.6 44.8 -81.6 -39.9 85.3 78.3 54.7 16 60 A I H S+ 0 0 3 1,-0.2 4,-1.3 2,-0.2 406,-0.2 0.806 122.1 53.9 -42.1 -40.6 81.3 64.3 51.9 27 71 A G H > S+ 0 0 0 404,-0.7 4,-1.6 405,-0.5 3,-0.3 0.958 113.7 35.9 -58.8 -58.3 78.3 62.2 50.9 28 72 A S H > S+ 0 0 31 403,-1.5 4,-2.4 -3,-0.5 -2,-0.2 0.809 108.4 64.7 -74.0 -31.4 75.5 64.3 52.5 29 73 A A H X S+ 0 0 0 -4,-2.6 4,-2.9 402,-0.3 -1,-0.2 0.899 106.4 45.4 -56.8 -41.9 77.1 67.7 51.8 30 74 A C H X S+ 0 0 0 -4,-1.3 4,-2.4 -5,-0.3 5,-0.3 0.935 111.8 50.3 -64.7 -49.7 76.7 66.9 48.0 31 75 A N H X S+ 0 0 38 -4,-1.6 4,-1.1 1,-0.2 -2,-0.2 0.812 114.5 47.9 -59.5 -28.8 73.1 65.7 48.5 32 76 A Y H X S+ 0 0 45 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.971 112.4 44.3 -72.7 -57.6 72.6 69.0 50.4 33 77 A Y H X S+ 0 0 4 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.768 112.3 53.3 -64.4 -29.5 74.1 71.4 48.0 34 78 A N H < S+ 0 0 1 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.915 110.9 47.2 -66.3 -45.4 72.4 69.8 45.0 35 79 A R H < S+ 0 0 149 -4,-1.1 -2,-0.2 -5,-0.3 -3,-0.1 0.952 116.7 41.9 -61.1 -53.9 69.0 70.1 46.6 36 80 A V H < S+ 0 0 77 -4,-2.3 -2,-0.2 -5,-0.1 -3,-0.2 0.919 128.2 19.0 -63.2 -51.1 69.5 73.8 47.7 37 81 A Y S < S- 0 0 80 -4,-2.0 4,-0.1 1,-0.3 -3,-0.0 0.087 109.3 -50.2 -97.5-149.7 71.1 75.0 44.4 38 82 A G - 0 0 29 2,-0.3 -1,-0.3 1,-0.1 3,-0.1 -0.141 53.0-100.3 -76.7 179.2 71.1 73.5 40.9 39 83 A E S S+ 0 0 38 1,-0.2 15,-1.3 14,-0.1 16,-1.0 -0.162 119.6 42.8 -88.0 38.8 72.0 69.9 39.8 40 84 A F E S+A 53 0A 2 13,-0.2 -2,-0.3 14,-0.1 2,-0.3 -0.620 81.5 143.5 175.3 112.3 75.3 71.5 38.9 41 85 A M E -A 52 0A 0 11,-0.8 11,-1.9 -2,-0.2 2,-0.4 -0.989 41.5-106.8-164.1 164.7 77.0 74.0 41.2 42 86 A R E +A 51 0A 32 -38,-2.5 2,-0.2 -2,-0.3 9,-0.2 -0.816 36.1 153.4-109.5 138.3 80.2 75.4 42.7 43 87 A V E -A 50 0A 0 7,-2.2 7,-2.5 -2,-0.4 2,-0.4 -0.749 36.6-111.7-139.3-176.4 81.6 74.9 46.2 44 88 A W E -A 49 0A 6 -2,-0.2 2,-0.5 5,-0.2 5,-0.2 -0.974 20.3-178.3-131.4 123.1 85.1 74.9 47.7 45 89 A I S S- 0 0 7 3,-1.4 304,-0.1 -2,-0.4 3,-0.1 -0.988 81.8 -28.2-111.3 128.8 87.0 72.1 49.3 46 90 A S S S- 0 0 40 -2,-0.5 -28,-0.1 139,-0.2 139,-0.0 -0.246 118.8 -45.6 45.2-150.2 90.3 73.6 50.5 47 91 A G S S+ 0 0 62 -3,-0.1 -1,-0.2 2,-0.1 -29,-0.0 0.954 115.6 98.3 -65.2 -48.4 91.1 76.6 48.3 48 92 A E S S- 0 0 92 -4,-0.1 -3,-1.4 1,-0.1 2,-0.1 -0.040 79.3-115.3 -55.3 133.8 90.3 74.9 45.0 49 93 A E E -A 44 0A 103 -5,-0.2 300,-1.9 -7,-0.0 2,-0.4 -0.368 35.3-166.1 -64.9 143.0 87.0 75.3 43.3 50 94 A T E -Ab 43 349A 0 -7,-2.5 -7,-2.2 298,-0.2 2,-0.2 -0.958 11.5-147.9-145.9 123.9 84.9 72.2 43.1 51 95 A L E -Ab 42 350A 7 298,-2.9 300,-1.9 -2,-0.4 2,-0.4 -0.581 4.0-161.5 -84.6 146.8 81.8 71.2 41.1 52 96 A I E -Ab 41 351A 0 -11,-1.9 -11,-0.8 -2,-0.2 2,-0.4 -0.960 18.6-178.4-130.3 115.5 79.1 68.9 42.3 53 97 A I E +Ab 40 352A 1 298,-1.9 300,-3.1 -2,-0.4 -13,-0.2 -0.921 30.4 165.9-122.7 132.1 76.9 67.5 39.5 54 98 A S + 0 0 2 -15,-1.3 2,-0.5 -2,-0.4 306,-0.1 0.214 47.4 118.8-122.7 12.0 73.9 65.1 39.4 55 99 A K > - 0 0 75 -16,-1.0 4,-2.6 1,-0.1 3,-0.4 -0.688 61.6-142.9 -75.7 121.1 72.8 66.0 35.8 56 100 A S H > S+ 0 0 0 -2,-0.5 4,-3.0 1,-0.2 5,-0.2 0.838 98.8 55.2 -51.9 -40.2 73.1 62.7 33.8 57 101 A S H > S+ 0 0 37 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.881 111.0 42.8 -62.2 -44.5 74.4 64.7 30.7 58 102 A S H > S+ 0 0 0 -3,-0.4 4,-2.8 2,-0.2 -2,-0.2 0.952 113.9 52.5 -65.1 -52.5 77.3 66.2 32.6 59 103 A M H X S+ 0 0 1 -4,-2.6 4,-2.0 1,-0.2 5,-0.3 0.940 111.4 46.5 -45.3 -56.6 78.0 62.9 34.3 60 104 A F H X S+ 0 0 48 -4,-3.0 4,-1.3 1,-0.2 -1,-0.2 0.849 111.2 51.0 -60.6 -40.2 78.1 61.1 31.0 61 105 A H H X S+ 0 0 39 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.949 111.8 48.8 -59.8 -50.8 80.3 63.8 29.4 62 106 A I H < S+ 0 0 2 -4,-2.8 3,-0.2 1,-0.2 -2,-0.2 0.963 112.8 42.3 -56.0 -63.4 82.8 63.6 32.2 63 107 A M H < S+ 0 0 0 -4,-2.0 328,-0.5 1,-0.2 -1,-0.2 0.734 113.5 56.3 -61.7 -24.9 83.3 59.8 32.5 64 108 A K H < S+ 0 0 107 -4,-1.3 -1,-0.2 -5,-0.3 -2,-0.2 0.953 93.5 73.4 -71.2 -52.9 83.5 59.5 28.7 65 109 A H S >< S- 0 0 53 -4,-1.9 3,-0.8 -3,-0.2 4,-0.0 -0.297 75.5-132.9 -74.0 148.1 86.3 61.9 27.9 66 110 A N G > S+ 0 0 119 1,-0.2 3,-1.1 2,-0.1 -1,-0.1 0.682 96.8 72.9 -71.4 -19.6 90.0 61.2 28.5 67 111 A H G 3 S+ 0 0 38 1,-0.2 267,-2.5 267,-0.1 268,-0.8 0.086 93.2 55.6 -87.3 26.2 90.7 64.6 30.1 68 112 A Y G < + 0 0 1 -3,-0.8 2,-2.5 265,-0.2 264,-0.7 0.255 67.7 119.2-130.2 6.6 88.8 63.7 33.3 69 113 A S < + 0 0 3 -3,-1.1 2,-0.3 262,-0.1 264,-0.1 -0.239 58.3 82.1 -74.1 50.4 90.7 60.6 34.2 70 114 A S - 0 0 3 -2,-2.5 262,-1.2 262,-0.4 22,-0.1 -0.985 58.5-155.3-150.4 148.0 92.0 61.9 37.5 71 115 A R - 0 0 38 -2,-0.3 2,-0.3 260,-0.2 260,-0.2 -0.322 15.9-139.2-105.5-165.7 90.6 62.2 41.0 72 116 A F + 0 0 4 -2,-0.1 2,-0.2 278,-0.1 258,-0.1 -0.911 30.8 125.7-149.0 176.6 91.5 64.6 43.8 73 117 A G - 0 0 22 -2,-0.3 112,-0.2 -28,-0.1 111,-0.1 -0.692 64.3 -34.8 144.6 164.5 92.0 65.0 47.6 74 118 A S > - 0 0 17 110,-2.8 4,-3.2 -2,-0.2 5,-0.3 -0.233 41.4-149.4 -52.2 114.8 94.5 66.2 50.2 75 119 A K H > S+ 0 0 128 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.764 103.3 50.1 -53.8 -25.9 98.1 65.6 49.0 76 120 A L H > S+ 0 0 76 110,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.836 112.7 44.5 -81.5 -36.4 98.9 65.2 52.7 77 121 A G H > S+ 0 0 1 -3,-0.2 4,-1.5 106,-0.2 -2,-0.2 0.868 114.6 47.6 -73.9 -40.2 96.0 62.8 53.3 78 122 A L H X>S+ 0 0 2 -4,-3.2 5,-1.8 1,-0.2 6,-1.5 0.843 111.8 51.0 -70.4 -34.5 96.7 60.7 50.2 79 123 A Q H <5S+ 0 0 98 -4,-1.0 -1,-0.2 -5,-0.3 -2,-0.2 0.812 107.6 55.6 -67.3 -30.9 100.4 60.6 51.1 80 124 A C H <5S+ 0 0 31 -4,-0.9 -2,-0.2 1,-0.2 -1,-0.2 0.854 111.9 38.5 -75.8 -38.6 99.5 59.5 54.6 81 125 A I H <5S- 0 0 1 -4,-1.5 -1,-0.2 99,-0.1 -2,-0.2 0.480 117.6-112.7 -89.0 -7.0 97.4 56.4 53.6 82 126 A G T <5S+ 0 0 4 -4,-0.6 -3,-0.2 -5,-0.2 -4,-0.1 0.549 88.8 110.6 90.8 10.4 99.9 55.7 50.8 83 127 A M > < + 0 0 0 -5,-1.8 3,-1.1 -6,-0.2 2,-0.9 0.432 37.5 120.0 -94.7 -1.1 97.7 56.4 47.8 84 128 A H T 3 S- 0 0 36 -6,-1.5 7,-0.1 1,-0.3 -9,-0.0 -0.561 104.9 -28.9 -71.3 104.5 99.5 59.6 46.7 85 129 A E T 3 S+ 0 0 76 -2,-0.9 -1,-0.3 5,-0.5 6,-0.1 0.822 131.7 85.2 52.7 38.5 100.7 58.8 43.2 86 130 A K S < S+ 0 0 47 -3,-1.1 169,-0.2 168,-0.1 -3,-0.2 0.668 77.5 40.8-129.1 -47.3 100.9 55.2 44.2 87 131 A G S S- 0 0 0 -4,-0.5 168,-0.2 167,-0.1 167,-0.1 0.509 72.4-125.3 -76.3-140.5 97.7 53.2 43.9 88 132 A I S > S+ 0 0 13 166,-0.1 3,-0.7 12,-0.1 -1,-0.1 0.275 99.0 69.5-126.9 -32.2 95.2 53.4 41.1 89 133 A I T 3 S+ 0 0 47 1,-0.3 -6,-0.0 -3,-0.0 8,-0.0 0.902 127.1 7.6 -50.3 -51.1 92.1 54.2 43.2 90 134 A F T 3 S+ 0 0 11 -7,-0.1 2,-0.7 -19,-0.1 -5,-0.5 0.046 91.9 136.7-120.0 24.8 93.4 57.6 44.1 91 135 A N < + 0 0 0 -3,-0.7 -20,-0.2 1,-0.2 -7,-0.1 -0.627 25.2 178.1 -72.0 112.6 96.5 57.8 41.9 92 136 A N + 0 0 37 -2,-0.7 -1,-0.2 -9,-0.2 -8,-0.1 0.521 48.8 102.6 -99.1 -6.2 96.3 61.2 40.4 93 137 A N > - 0 0 39 1,-0.2 4,-3.0 2,-0.1 5,-0.3 -0.703 63.9-154.3 -77.1 106.7 99.6 61.1 38.4 94 138 A P H > S+ 0 0 48 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.709 89.8 40.3 -65.7 -24.9 98.0 60.6 34.9 95 139 A E H > S+ 0 0 137 2,-0.2 4,-1.7 3,-0.1 5,-0.1 0.887 119.1 45.4 -83.8 -45.4 101.1 58.8 33.4 96 140 A L H 4 S+ 0 0 51 1,-0.2 4,-0.2 2,-0.2 -1,-0.1 0.756 116.4 46.9 -70.2 -26.0 101.8 56.8 36.5 97 141 A W H >X S+ 0 0 11 -4,-3.0 4,-2.3 2,-0.2 3,-1.2 0.875 108.2 57.4 -75.0 -42.1 98.1 55.9 36.8 98 142 A K H 3< S+ 0 0 142 -4,-1.0 -2,-0.2 -5,-0.3 -1,-0.1 0.833 107.8 46.1 -57.3 -37.5 98.0 55.1 33.1 99 143 A T T 3< S+ 0 0 72 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.488 114.9 46.3 -88.4 -3.7 100.8 52.5 33.5 100 144 A T T X> S+ 0 0 0 -3,-1.2 3,-1.2 -4,-0.2 4,-0.9 0.765 96.5 68.3-105.7 -37.9 99.3 50.8 36.6 101 145 A R H >X S+ 0 0 24 -4,-2.3 4,-3.1 1,-0.2 3,-0.7 0.867 89.0 66.5 -50.9 -43.6 95.7 50.4 35.6 102 146 A P H 3> S+ 0 0 66 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.849 97.7 55.4 -47.4 -38.7 96.5 47.8 32.9 103 147 A F H <> S+ 0 0 32 -3,-1.2 4,-1.5 2,-0.2 -2,-0.2 0.861 113.0 39.5 -65.6 -40.0 97.6 45.4 35.7 104 148 A F H < S+ 0 0 121 -4,-2.3 3,-1.1 -5,-0.2 6,-0.3 0.934 113.0 48.3 -74.1 -48.7 94.0 42.4 33.2 107 151 A A H 3< S+ 0 0 19 -4,-1.5 -2,-0.2 1,-0.3 -1,-0.2 0.685 108.9 56.3 -65.8 -21.6 93.6 40.5 36.5 108 152 A L T 3< S+ 0 0 15 -4,-1.6 290,-0.6 -5,-0.1 2,-0.3 -0.030 110.4 40.4-103.4 26.9 89.9 41.6 36.8 109 153 A S S X S+ 0 0 48 -3,-1.1 3,-1.6 288,-0.1 4,-0.2 -0.929 95.2 21.4-156.3 176.4 88.7 40.1 33.4 110 154 A G T 3> S+ 0 0 51 -2,-0.3 4,-0.7 1,-0.3 3,-0.1 -0.370 126.0 5.3 64.1-112.4 89.1 37.2 31.0 111 155 A P H 3> S+ 0 0 102 0, 0.0 4,-2.2 0, 0.0 -1,-0.3 0.786 129.8 57.8 -79.4 -26.0 90.3 34.0 32.7 112 156 A G H <> S+ 0 0 14 -3,-1.6 4,-1.7 -6,-0.3 -2,-0.2 0.759 103.1 52.7 -72.9 -28.6 90.2 35.5 36.2 113 157 A L H > S+ 0 0 30 2,-0.2 4,-1.1 -4,-0.2 -1,-0.2 0.761 110.3 49.1 -79.2 -25.5 86.6 36.3 36.0 114 158 A V H X S+ 0 0 66 -4,-0.7 4,-0.6 2,-0.2 189,-0.2 0.903 112.3 47.7 -74.1 -44.1 86.0 32.7 35.0 115 159 A R H >X S+ 0 0 120 -4,-2.2 4,-1.9 1,-0.2 3,-0.6 0.865 106.8 61.1 -58.2 -38.9 88.1 31.5 38.0 116 160 A M H 3X S+ 0 0 0 -4,-1.7 4,-3.6 1,-0.2 5,-0.4 0.897 89.9 63.4 -61.7 -48.3 86.2 33.9 40.3 117 161 A V H 3X S+ 0 0 0 -4,-1.1 4,-0.7 1,-0.3 -1,-0.2 0.817 116.4 31.9 -50.4 -35.7 82.7 32.5 39.9 118 162 A T H X S+ 0 0 0 -4,-0.7 4,-2.7 -5,-0.4 3,-1.5 0.982 114.5 41.5 -63.9 -59.5 81.4 29.7 45.6 122 166 A E H 3X S+ 0 0 80 -4,-2.6 4,-1.8 1,-0.3 -2,-0.2 0.799 114.7 53.9 -62.5 -28.9 84.0 27.5 47.3 123 167 A S H 3< S+ 0 0 7 -4,-1.7 4,-0.4 -5,-0.2 -1,-0.3 0.538 112.9 42.1 -84.8 -10.4 85.1 30.4 49.5 124 168 A L H X S+ 0 0 67 -4,-2.7 3,-1.1 1,-0.2 4,-0.8 0.940 105.2 54.4 -55.8 -50.2 80.7 27.5 51.2 126 170 A T H >< S+ 0 0 48 -4,-1.8 3,-0.9 1,-0.3 -1,-0.2 0.907 111.0 44.8 -51.5 -46.5 83.7 27.0 53.5 127 171 A H H 34 S+ 0 0 15 -4,-0.4 3,-0.5 1,-0.2 -1,-0.3 0.580 105.8 61.3 -77.9 -12.5 82.6 30.0 55.7 128 172 A L H << S+ 0 0 5 -3,-1.1 3,-0.4 -4,-1.0 -1,-0.2 0.505 98.4 55.6 -92.9 -6.8 79.0 28.8 55.8 129 173 A D S << S+ 0 0 93 -3,-0.9 -1,-0.2 -4,-0.8 -2,-0.1 -0.327 107.8 56.8-105.3 44.8 80.0 25.5 57.5 130 174 A R > + 0 0 100 -3,-0.5 3,-2.1 -5,-0.1 -1,-0.2 0.057 55.6 133.6-166.5 20.5 81.5 27.8 60.0 131 175 A L G >> + 0 0 29 -3,-0.4 4,-2.4 1,-0.3 3,-1.9 0.681 62.0 82.6 -61.0 -15.2 78.7 30.0 61.2 132 176 A E G 34 S+ 0 0 144 1,-0.3 -1,-0.3 2,-0.2 -4,-0.1 0.603 86.2 59.4 -57.9 -13.2 80.1 29.2 64.7 133 177 A E G <4 S+ 0 0 110 -3,-2.1 -1,-0.3 -6,-0.2 -2,-0.2 0.487 120.2 19.8 -94.6 -9.6 82.5 32.0 63.9 134 178 A V T <4 S+ 0 0 17 -3,-1.9 8,-1.2 -4,-0.1 2,-0.4 0.433 96.9 106.0-143.1 -16.6 80.0 34.8 63.4 135 179 A T B < -D 141 0B 53 -4,-2.4 6,-0.3 6,-0.2 5,-0.1 -0.644 58.2-135.0 -91.9 131.5 76.8 33.7 65.1 136 180 A N > - 0 0 84 4,-3.8 3,-1.3 -2,-0.4 -2,-0.1 -0.218 29.4-108.7 -63.8 162.0 75.4 35.1 68.4 137 181 A E T 3 S+ 0 0 192 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.893 122.4 54.9 -57.3 -41.4 74.0 32.8 71.1 138 182 A S T 3 S- 0 0 68 2,-0.1 -1,-0.2 1,-0.1 -2,-0.1 0.210 130.2 -96.1 -81.8 16.7 70.5 34.1 70.2 139 183 A G S < S+ 0 0 30 -3,-1.3 2,-0.5 1,-0.2 309,-0.5 0.420 76.8 146.9 87.0 1.5 71.1 33.1 66.5 140 184 A Y E - E 0 447B 72 307,-0.1 -4,-3.8 -5,-0.1 2,-0.3 -0.580 34.5-152.6 -78.9 118.2 72.2 36.5 65.4 141 185 A V E -DE 135 446B 2 305,-3.3 305,-1.7 -2,-0.5 2,-1.5 -0.666 17.1-130.3 -90.6 147.3 74.8 36.4 62.6 142 186 A D > + 0 0 62 -8,-1.2 4,-2.3 -2,-0.3 3,-0.4 -0.582 31.9 179.7 -91.3 69.6 77.3 39.2 62.1 143 187 A V H > S+ 0 0 0 -2,-1.5 4,-2.8 1,-0.2 5,-0.2 0.858 73.3 54.5 -45.4 -54.7 76.6 39.5 58.4 144 188 A L H > S+ 0 0 2 300,-0.3 4,-2.7 1,-0.2 -1,-0.2 0.907 112.0 43.2 -42.7 -59.4 79.1 42.3 57.7 145 189 A T H > S+ 0 0 26 -3,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.916 112.1 53.5 -58.5 -48.1 82.0 40.4 59.2 146 190 A L H X S+ 0 0 5 -4,-2.3 4,-2.0 1,-0.2 5,-0.2 0.954 112.3 45.2 -48.6 -56.0 81.0 37.2 57.5 147 191 A L H X S+ 0 0 1 -4,-2.8 4,-2.9 1,-0.2 5,-0.3 0.943 109.6 53.6 -55.8 -54.8 81.0 39.0 54.1 148 192 A R H X S+ 0 0 18 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.884 109.6 49.8 -48.2 -44.8 84.3 40.8 54.7 149 193 A R H X S+ 0 0 46 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.911 113.3 42.9 -65.4 -44.8 86.0 37.5 55.4 150 194 A V H X S+ 0 0 1 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.838 115.2 52.5 -70.4 -31.9 84.8 35.6 52.4 151 195 A M H X S+ 0 0 0 -4,-2.9 4,-2.2 -5,-0.2 -2,-0.2 0.874 114.0 41.2 -66.3 -42.6 85.5 38.7 50.3 152 196 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.3 -2,-0.2 0.843 115.2 51.3 -74.7 -36.0 89.0 39.0 51.6 153 197 A D H X S+ 0 0 27 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.887 111.6 48.4 -64.6 -41.0 89.4 35.2 51.3 154 198 A T H X S+ 0 0 2 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.931 111.1 49.1 -62.7 -49.0 88.2 35.4 47.7 155 199 A S H X>S+ 0 0 2 -4,-2.2 4,-2.7 2,-0.2 5,-0.5 0.895 112.1 50.3 -59.5 -43.6 90.5 38.3 46.9 156 200 A N H X>S+ 0 0 11 -4,-2.3 5,-4.0 1,-0.2 4,-2.3 0.976 109.1 48.8 -56.9 -60.1 93.5 36.4 48.3 157 201 A T H <5S+ 0 0 51 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.761 121.0 37.2 -58.3 -26.1 92.8 33.1 46.5 158 202 A L H <5S+ 0 0 11 -4,-1.6 76,-0.3 -5,-0.2 -1,-0.2 0.934 130.2 21.0 -88.4 -51.9 92.5 35.0 43.2 159 203 A F H <5S+ 0 0 9 -4,-2.7 76,-2.6 -5,-0.2 77,-0.2 0.679 138.2 7.9 -97.3 -23.0 95.0 37.8 43.2 160 204 A L T << - 0 0 2 -4,-2.3 -3,-0.2 -5,-0.5 -4,-0.1 0.691 66.3-163.8-127.4 -42.3 97.6 36.9 45.8 161 205 A R < + 0 0 95 -5,-4.0 -4,-0.1 -6,-0.2 -5,-0.1 0.938 38.3 135.2 35.8 73.0 97.2 33.3 47.2 162 206 A I - 0 0 6 0, 0.0 -1,-0.2 0, 0.0 56,-0.1 -0.952 63.6-101.6-138.8 122.2 99.4 33.5 50.3 163 207 A P + 0 0 98 0, 0.0 2,-0.3 0, 0.0 0, 0.0 -0.121 55.7 161.3 -37.6 125.0 98.1 32.0 53.7 164 208 A L - 0 0 40 -11,-0.0 2,-1.1 50,-0.0 3,-0.1 -0.956 47.7 -99.7-148.3 167.0 96.9 34.8 56.0 165 209 A D > - 0 0 92 -2,-0.3 4,-2.3 1,-0.2 3,-0.3 -0.758 31.1-174.4 -92.8 93.7 94.7 35.4 59.0 166 210 A E H > S+ 0 0 47 -2,-1.1 4,-2.6 1,-0.2 5,-0.3 0.949 80.9 60.0 -49.7 -60.0 91.4 36.7 57.6 167 211 A S H > S+ 0 0 46 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.826 114.0 35.2 -30.6 -58.5 90.0 37.4 61.1 168 212 A A H > S+ 0 0 28 -3,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.840 114.0 54.4 -75.0 -39.5 92.8 39.9 61.8 169 213 A I H X S+ 0 0 13 -4,-2.3 4,-3.2 -3,-0.2 5,-0.2 0.886 103.1 58.8 -65.6 -39.0 93.3 41.5 58.4 170 214 A V H X S+ 0 0 4 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.938 104.5 48.7 -53.5 -52.5 89.6 42.4 58.1 171 215 A V H X S+ 0 0 95 -4,-1.1 4,-1.8 -5,-0.3 -1,-0.2 0.865 114.2 48.4 -59.0 -35.7 89.7 44.5 61.3 172 216 A K H X S+ 0 0 71 -4,-1.4 4,-2.7 2,-0.2 -2,-0.2 0.932 106.1 54.4 -70.2 -47.0 92.8 46.2 59.8 173 217 A I H X S+ 0 0 6 -4,-3.2 4,-2.4 1,-0.2 -2,-0.2 0.875 108.5 52.4 -52.4 -39.7 91.3 46.8 56.4 174 218 A Q H X S+ 0 0 50 -4,-2.2 4,-3.5 -5,-0.2 -1,-0.2 0.956 107.6 49.5 -61.7 -50.3 88.5 48.6 58.3 175 219 A G H X S+ 0 0 17 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.873 110.7 52.0 -53.9 -42.8 91.0 50.8 60.2 176 220 A Y H X S+ 0 0 0 -4,-2.7 4,-3.0 27,-0.2 -1,-0.2 0.924 112.1 44.4 -59.7 -48.7 92.6 51.6 56.8 177 221 A F H X S+ 0 0 27 -4,-2.4 4,-3.2 1,-0.2 5,-0.3 0.969 110.1 55.0 -62.3 -51.5 89.3 52.6 55.3 178 222 A D H X S+ 0 0 92 -4,-3.5 4,-1.3 1,-0.2 -1,-0.2 0.864 115.0 41.4 -43.6 -44.9 88.3 54.6 58.4 179 223 A A H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 3,-0.4 0.958 112.3 51.2 -71.2 -58.7 91.6 56.5 58.0 180 224 A W H X S+ 0 0 18 -4,-3.0 4,-1.2 1,-0.3 -2,-0.2 0.908 114.4 47.0 -39.7 -50.2 91.5 56.9 54.2 181 225 A Q H < S+ 0 0 18 -4,-3.2 4,-0.3 -5,-0.2 -1,-0.3 0.835 111.9 50.0 -67.4 -35.3 88.0 58.3 54.6 182 226 A A H < S+ 0 0 11 -4,-1.3 3,-0.3 -3,-0.4 -2,-0.2 0.898 118.4 35.7 -69.0 -42.0 89.0 60.6 57.5 183 227 A L H >< S+ 0 0 0 -4,-2.6 3,-0.8 1,-0.2 -106,-0.2 0.490 84.5 99.4 -96.2 -7.3 91.9 62.2 55.8 184 228 A L T 3< S+ 0 0 1 -4,-1.2 -110,-2.8 -5,-0.3 -107,-0.2 0.862 104.8 12.1 -53.0 -41.4 90.8 62.4 52.1 185 229 A I T 3 S+ 0 0 12 -4,-0.3 -1,-0.2 -3,-0.3 -139,-0.2 0.096 83.7 138.6-130.1 25.7 89.8 66.1 52.4 186 230 A K < - 0 0 46 -3,-0.8 -109,-0.2 -112,-0.1 -110,-0.2 -0.596 57.4-116.2 -70.5 125.9 91.2 67.4 55.7 187 231 A P > - 0 0 27 0, 0.0 3,-2.4 0, 0.0 4,-0.4 -0.290 29.0-103.9 -66.8 151.6 92.6 71.0 55.2 188 232 A D T >> S+ 0 0 77 1,-0.3 3,-1.8 2,-0.2 4,-0.7 0.729 115.4 69.4 -55.2 -33.7 96.3 71.4 55.7 189 233 A I H >> S+ 0 0 128 1,-0.3 4,-1.1 2,-0.2 3,-0.8 0.823 93.5 63.2 -46.5 -37.7 96.0 73.2 59.1 190 234 A F H <4 S+ 0 0 28 -3,-2.4 -1,-0.3 1,-0.2 6,-0.2 0.787 97.3 54.5 -59.8 -33.7 94.8 69.7 60.4 191 235 A F H <4 S+ 0 0 22 -3,-1.8 -1,-0.2 -4,-0.4 -2,-0.2 0.662 98.6 62.2 -83.3 -16.0 98.1 68.1 59.6 192 236 A K H << S+ 0 0 164 -3,-0.8 2,-1.7 -4,-0.7 -2,-0.2 0.977 91.5 65.5 -67.2 -57.9 100.2 70.5 61.6 193 237 A I S >< S- 0 0 86 -4,-1.1 3,-1.0 1,-0.2 -1,-0.2 -0.474 77.0-173.2 -72.2 86.0 98.6 69.7 65.0 194 238 A S G >> + 0 0 37 -2,-1.7 3,-1.5 1,-0.3 4,-0.7 0.638 68.5 68.2 -68.8 -30.3 99.9 66.1 65.0 195 239 A W G 34 S+ 0 0 193 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.304 92.0 72.6 -70.6 14.1 98.3 64.5 68.0 196 240 A L G <4 S+ 0 0 71 -3,-1.0 -1,-0.2 -6,-0.2 -2,-0.2 0.462 107.8 23.5-109.8 -7.6 95.1 64.8 65.9 197 241 A Y T <> S+ 0 0 35 -3,-1.5 4,-2.3 -6,-0.1 3,-0.2 0.321 84.5 106.4-138.3 4.6 95.8 62.1 63.3 198 242 A K H X S+ 0 0 113 -4,-0.7 4,-1.4 1,-0.2 5,-0.1 0.842 80.2 59.6 -55.4 -34.1 98.2 59.7 65.0 199 243 A K H >> S+ 0 0 135 1,-0.2 4,-1.6 2,-0.2 3,-0.6 0.958 109.3 42.3 -54.9 -53.1 95.3 57.3 65.3 200 244 A Y H 3> S+ 0 0 59 1,-0.3 4,-1.5 -3,-0.2 -2,-0.2 0.824 110.5 56.1 -65.5 -35.6 94.9 57.2 61.6 201 245 A E H 3X S+ 0 0 100 -4,-2.3 4,-1.3 1,-0.2 -1,-0.3 0.754 110.0 47.3 -67.0 -25.3 98.7 57.1 61.0 202 246 A K H X S+ 0 0 54 -4,-1.7 4,-1.8 2,-0.2 3,-0.6 0.872 106.4 52.2 -70.8 -38.9 108.5 37.2 46.6 220 264 A R H 3X S+ 0 0 139 -4,-1.3 4,-0.7 1,-0.2 -2,-0.2 0.929 104.8 57.0 -58.5 -46.3 110.3 34.1 48.0 221 265 A R H 3< S+ 0 0 103 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.661 110.1 43.4 -66.3 -17.3 107.8 31.8 46.3 222 266 A I H << S+ 0 0 28 -3,-0.6 3,-0.5 -4,-0.6 -1,-0.2 0.788 105.4 60.5 -94.0 -33.0 108.6 33.2 42.8 223 267 A S H < S+ 0 0 90 -4,-1.8 -2,-0.2 1,-0.3 2,-0.2 0.558 109.6 46.1 -69.7 -7.9 112.3 33.3 43.3 224 268 A T S < S- 0 0 113 -4,-0.7 -1,-0.3 -5,-0.1 2,-0.2 -0.626 96.1-173.8-128.4 73.5 112.2 29.5 43.8 225 269 A E - 0 0 68 -3,-0.5 2,-1.2 -2,-0.2 3,-0.2 -0.506 42.4-148.5 -97.5 138.9 109.9 28.7 40.8 226 270 A E S S- 0 0 162 -2,-0.2 -1,-0.1 1,-0.2 4,-0.1 -0.405 91.6 -50.0 -81.9 53.8 108.1 25.6 39.5 227 271 A K S > S- 0 0 141 -2,-1.2 3,-1.1 2,-0.1 -1,-0.2 0.854 73.1-115.4 64.4 111.4 108.5 27.1 35.9 228 272 A L G > S+ 0 0 97 1,-0.2 3,-1.1 -3,-0.2 2,-1.0 0.811 95.8 44.2 -44.0 -80.3 107.3 30.7 35.8 229 273 A E G 3 S+ 0 0 130 1,-0.3 3,-0.3 3,-0.1 -1,-0.2 0.167 83.8 95.9 -68.6 19.5 104.3 31.5 33.6 230 274 A E G < S+ 0 0 125 -3,-1.1 -1,-0.3 -2,-1.0 2,-0.2 0.768 97.9 22.6 -76.2 -25.2 102.2 28.4 34.7 231 275 A C S < S- 0 0 47 -3,-1.1 2,-1.3 2,-0.1 -1,-0.2 -0.684 73.4-179.4-149.0 79.7 100.2 30.4 37.3 232 276 A M + 0 0 64 -3,-0.3 -3,-0.1 -2,-0.2 2,-0.1 -0.601 10.2 173.3 -98.9 79.5 100.2 34.2 36.6 233 277 A D > - 0 0 12 -2,-1.3 4,-2.5 -73,-0.1 3,-0.3 -0.310 47.0-100.8 -76.8 163.4 98.2 35.9 39.3 234 278 A F H > S+ 0 0 5 -76,-0.3 4,-1.8 1,-0.2 5,-0.2 0.910 120.4 54.3 -45.5 -54.3 97.9 39.7 39.8 235 279 A A H > S+ 0 0 1 -76,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.855 112.1 43.4 -56.4 -40.3 100.5 39.8 42.5 236 280 A T H > S+ 0 0 8 -3,-0.3 4,-3.1 -77,-0.2 5,-0.4 0.969 105.5 60.5 -69.1 -54.6 103.1 38.1 40.4 237 281 A E H X S+ 0 0 44 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.834 111.6 43.5 -38.2 -44.4 102.4 40.0 37.2 238 282 A L H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.957 111.4 50.3 -67.1 -55.9 103.4 43.1 39.2 239 283 A I H X S+ 0 0 2 -4,-1.9 4,-1.7 1,-0.3 -2,-0.2 0.836 111.8 49.8 -57.1 -35.4 106.5 41.7 41.0 240 284 A L H < S+ 0 0 44 -4,-3.1 -1,-0.3 2,-0.2 -2,-0.2 0.872 109.5 50.8 -69.2 -38.3 107.8 40.5 37.6 241 285 A A H >X>S+ 0 0 0 -4,-1.3 5,-2.3 -5,-0.4 4,-1.2 0.798 108.5 52.8 -66.7 -31.4 107.2 43.9 36.1 242 286 A E H 3<5S+ 0 0 45 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.875 105.6 54.0 -67.2 -42.0 109.1 45.4 39.1 243 287 A K T 3<5S+ 0 0 142 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.257 111.3 47.5 -82.7 8.9 112.0 43.1 38.3 244 288 A R T <45S- 0 0 155 -3,-0.7 -2,-0.2 3,-0.1 -3,-0.1 0.482 121.1-105.0 -93.7 -92.5 111.9 44.4 34.9 245 289 A G T <5S+ 0 0 61 -4,-1.2 -3,-0.2 -2,-0.0 -2,-0.1 0.200 88.2 106.6 174.2 42.6 111.8 48.1 35.7 246 290 A D S - 0 0 85 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.640 28.3-122.5 -77.3 142.9 108.7 50.9 42.0 249 293 A R H > S+ 0 0 125 -2,-0.3 4,-2.3 1,-0.2 3,-0.3 0.949 117.7 52.5 -48.0 -50.5 108.7 48.2 44.8 250 294 A E H > S+ 0 0 90 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.907 107.8 50.3 -47.6 -51.9 106.8 50.9 46.8 251 295 A N H > S+ 0 0 4 1,-0.2 4,-1.5 2,-0.2 3,-0.4 0.832 109.1 51.9 -59.1 -39.7 104.2 51.3 44.0 252 296 A V H >X S+ 0 0 0 -4,-2.3 4,-2.2 -3,-0.3 3,-0.5 0.967 103.9 56.4 -60.2 -54.1 103.7 47.5 43.8 253 297 A N H 3X S+ 0 0 7 -4,-2.3 4,-0.7 1,-0.3 -1,-0.2 0.683 107.0 50.8 -57.2 -19.7 103.1 47.1 47.5 254 298 A Q H 3X S+ 0 0 0 -4,-0.8 4,-4.2 -3,-0.4 -1,-0.3 0.870 107.2 51.1 -85.0 -40.4 100.2 49.6 47.2 255 299 A C H X S+ 0 0 1 -4,-0.7 4,-2.4 -5,-0.3 3,-0.5 0.942 115.5 48.4 -74.9 -48.5 97.0 46.5 49.2 258 302 A E H 3X S+ 0 0 2 -4,-4.2 4,-0.9 1,-0.2 -2,-0.2 0.774 111.3 52.1 -60.1 -26.5 94.6 48.4 46.9 259 303 A M H 3< S+ 0 0 11 -4,-2.3 4,-0.5 -5,-0.2 -1,-0.2 0.784 113.1 44.0 -81.2 -28.9 93.7 45.1 45.2 260 304 A L H << S+ 0 0 4 -4,-0.9 3,-0.4 -3,-0.5 -2,-0.2 0.951 112.7 46.9 -77.3 -54.8 93.0 43.3 48.5 261 305 A I H X S+ 0 0 0 -4,-2.4 4,-3.1 1,-0.2 5,-0.2 0.789 96.1 78.1 -60.1 -30.0 91.0 46.0 50.4 262 306 A A H X S+ 0 0 37 -4,-0.9 4,-2.2 -5,-0.3 5,-0.4 0.879 97.2 37.4 -51.6 -57.3 88.6 46.7 47.4 263 307 A A H >>S+ 0 0 11 -4,-0.5 4,-2.3 -3,-0.4 5,-1.1 0.974 119.5 46.0 -63.9 -55.6 86.2 43.8 47.6 264 308 A P H 45S+ 0 0 3 0, 0.0 5,-0.4 0, 0.0 4,-0.4 0.915 114.0 53.0 -53.4 -42.7 86.0 43.5 51.4 265 309 A D H X5S+ 0 0 22 -4,-3.1 4,-0.5 -5,-0.2 -2,-0.2 0.946 129.8 8.6 -52.0 -55.3 85.6 47.3 51.6 266 310 A T H X5S+ 0 0 60 -4,-2.2 4,-2.7 -5,-0.2 -3,-0.2 0.821 121.7 56.8-108.0 -39.6 82.7 47.5 49.1 267 311 A M H X5S+ 0 0 8 -4,-2.3 4,-3.1 -5,-0.4 5,-0.3 0.899 108.5 51.5 -66.3 -40.3 81.3 44.1 48.2 268 312 A S H >< S+ 0 0 0 -4,-1.1 3,-0.5 2,-0.2 -2,-0.2 0.853 109.0 44.4 -87.7 -39.6 66.4 44.1 50.8 278 322 A I H >< S+ 0 0 0 -4,-2.2 3,-0.9 1,-0.2 7,-0.3 0.849 110.9 56.9 -70.3 -31.3 65.8 40.4 50.1 279 323 A A T 3< S+ 0 0 20 -4,-1.7 139,-0.3 1,-0.2 -1,-0.2 0.612 111.9 41.0 -77.8 -12.6 64.7 40.0 53.7 280 324 A K T < S+ 0 0 87 -3,-0.5 -1,-0.2 -4,-0.2 -2,-0.2 0.195 109.0 60.9-117.1 12.6 62.0 42.7 53.4 281 325 A H <> + 0 0 41 -3,-0.9 4,-2.0 -4,-0.1 3,-0.4 -0.680 51.9 168.9-141.2 83.0 60.7 41.8 49.9 282 326 A P H > S+ 0 0 79 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.879 78.0 62.7 -65.5 -43.2 59.3 38.2 49.9 283 327 A N H > S+ 0 0 101 1,-0.2 4,-1.1 2,-0.2 -2,-0.0 0.873 110.3 41.0 -39.3 -48.8 57.7 38.7 46.5 284 328 A V H > S+ 0 0 16 -3,-0.4 4,-1.9 2,-0.2 3,-0.3 0.927 108.8 55.9 -74.3 -48.6 61.2 39.2 45.1 285 329 A E H X S+ 0 0 12 -4,-2.0 4,-1.6 -7,-0.3 -1,-0.2 0.742 106.3 54.3 -63.4 -21.3 63.1 36.5 47.0 286 330 A E H X S+ 0 0 141 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.913 105.1 51.9 -73.2 -45.2 60.6 33.9 45.6 287 331 A A H X S+ 0 0 45 -4,-1.1 4,-2.3 -3,-0.3 -2,-0.2 0.893 111.4 48.8 -55.8 -43.5 61.3 35.0 42.0 288 332 A I H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.909 109.5 49.3 -65.0 -47.8 65.0 34.5 42.6 289 333 A I H X S+ 0 0 27 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.900 112.3 49.1 -61.6 -41.8 64.7 31.0 44.2 290 334 A K H X S+ 0 0 140 -4,-2.3 4,-2.9 1,-0.2 3,-0.3 0.968 110.6 50.4 -59.8 -53.2 62.5 29.8 41.4 291 335 A E H X S+ 0 0 31 -4,-2.3 4,-2.1 1,-0.2 5,-0.3 0.833 108.2 54.1 -52.0 -37.4 65.0 31.2 38.8 292 336 A I H X>S+ 0 0 7 -4,-2.1 4,-2.6 2,-0.2 5,-1.4 0.899 110.9 44.5 -69.1 -40.0 67.8 29.4 40.7 293 337 A Q H <5S+ 0 0 119 -4,-2.1 -2,-0.2 -3,-0.3 -1,-0.2 0.957 112.5 52.3 -63.9 -52.1 66.0 26.0 40.5 294 338 A T H <5S+ 0 0 112 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.876 123.4 27.7 -48.4 -47.0 65.1 26.6 36.8 295 339 A V H <5S+ 0 0 26 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.873 138.9 10.2 -88.9 -40.3 68.7 27.3 35.8 296 340 A I T ><5 - 0 0 4 -4,-2.6 3,-1.3 -5,-0.3 -3,-0.2 0.799 65.2-174.4-116.5 -39.3 70.9 25.4 38.4 297 341 A G T 3 - 0 0 95 -2,-0.3 3,-2.4 1,-0.1 4,-0.5 -0.951 39.5-106.3-132.8 154.8 79.4 27.8 36.7 303 347 A I G > S+ 0 0 44 -2,-0.3 3,-1.4 1,-0.3 4,-0.4 0.819 114.5 61.5 -44.3 -48.4 80.4 30.8 34.5 304 348 A D G 3 S+ 0 0 125 1,-0.3 3,-0.4 2,-0.1 4,-0.3 0.760 99.3 61.5 -50.5 -29.1 78.0 29.8 31.7 305 349 A D G X> S+ 0 0 12 -3,-2.4 3,-1.4 1,-0.2 4,-0.9 0.786 80.8 78.9 -71.3 -32.0 75.1 30.3 34.2 306 350 A I T <4 S+ 0 0 28 -3,-1.4 3,-0.3 -4,-0.5 -1,-0.2 0.747 87.4 55.6 -62.3 -30.7 75.5 33.9 35.1 307 351 A Q T 34 S+ 0 0 167 -3,-0.4 -1,-0.3 -4,-0.4 -2,-0.1 0.842 105.4 55.6 -65.3 -31.7 73.8 35.4 32.0 308 352 A K T <4 S+ 0 0 128 -3,-1.4 2,-3.0 -4,-0.3 3,-0.3 0.759 82.2 84.0 -73.8 -28.5 70.7 33.4 32.7 309 353 A L X + 0 0 0 -4,-0.9 4,-2.5 -3,-0.3 -1,-0.2 -0.231 56.2 150.0 -73.1 54.8 70.2 34.7 36.3 310 354 A K H > + 0 0 106 -2,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.839 63.0 50.2 -63.5 -41.8 68.3 37.6 34.7 311 355 A V H > S+ 0 0 50 -3,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.923 113.3 46.2 -66.2 -42.9 65.9 38.3 37.6 312 356 A M H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.911 108.0 58.5 -61.7 -41.6 68.8 38.3 40.1 313 357 A E H X S+ 0 0 30 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.896 107.5 46.3 -53.2 -42.2 70.7 40.5 37.7 314 358 A N H X S+ 0 0 27 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.822 109.0 56.6 -73.0 -28.7 67.9 43.1 37.9 315 359 A F H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.908 107.1 46.8 -65.3 -46.1 67.8 42.7 41.7 316 360 A I H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.943 114.5 48.5 -62.2 -45.4 71.5 43.7 42.1 317 361 A Y H X S+ 0 0 59 -4,-1.9 4,-1.3 -5,-0.2 -1,-0.2 0.848 113.9 45.7 -62.3 -38.8 71.0 46.6 39.7 318 362 A E H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.826 112.2 50.6 -76.8 -31.2 67.9 47.8 41.5 319 363 A S H X S+ 0 0 2 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.923 112.4 47.3 -69.9 -43.1 69.5 47.4 44.9 320 364 A M H < S+ 0 0 19 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.801 116.1 45.5 -64.0 -32.9 72.5 49.4 43.8 321 365 A R H < S+ 0 0 0 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.957 121.5 34.7 -74.2 -53.9 70.3 52.1 42.3 322 366 A Y H < S+ 0 0 24 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.869 136.3 19.1 -70.8 -43.7 67.9 52.4 45.2 323 367 A Q S < S- 0 0 15 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 -0.568 84.6-179.7-129.4 69.2 70.3 51.8 48.1 324 368 A P - 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0 0 49 -7,-1.4 3,-0.3 1,-0.2 -1,-0.2 -0.397 44.4-153.5 -57.3 132.0 85.3 50.8 38.0 394 438 A A S S+ 0 0 19 1,-0.2 3,-0.4 2,-0.1 4,-0.3 0.785 98.7 47.6 -78.6 -28.7 88.0 48.2 37.2 395 439 A G S > S+ 0 0 15 1,-0.2 4,-3.3 2,-0.1 5,-0.3 0.441 79.2 113.8 -86.0 0.6 86.1 45.6 39.1 396 440 A K H > S+ 0 0 35 -3,-0.3 4,-0.9 1,-0.2 -1,-0.2 0.753 83.8 33.2 -51.5 -33.2 82.9 46.6 37.3 397 441 A Y H > S+ 0 0 153 -3,-0.4 4,-1.2 -289,-0.2 -1,-0.2 0.946 118.6 48.6 -86.8 -55.1 82.6 43.2 35.5 398 442 A I H >> S+ 0 0 6 -290,-0.6 4,-2.7 -4,-0.3 3,-0.5 0.863 109.3 56.9 -50.6 -38.7 84.1 40.9 38.1 399 443 A A H 3X S+ 0 0 11 -4,-3.3 4,-2.9 1,-0.3 5,-0.3 0.952 100.2 55.3 -61.5 -53.3 81.9 42.4 40.8 400 444 A M H 3X S+ 0 0 16 -4,-0.9 4,-1.2 -5,-0.3 -1,-0.3 0.768 112.9 46.1 -48.5 -31.0 78.6 41.7 38.9 401 445 A V H X S+ 0 0 0 -4,-1.4 3,-2.9 -5,-0.2 4,-1.6 0.971 117.7 39.2 -78.0 -69.5 73.6 32.0 50.1 411 455 A L H 3< S+ 0 0 1 -4,-2.1 -2,-0.2 1,-0.3 -3,-0.2 0.784 106.8 69.2 -51.6 -32.7 69.9 32.3 49.2 412 456 A R T 3< S+ 0 0 70 -4,-3.0 -1,-0.3 -5,-0.4 -2,-0.2 0.660 117.0 20.8 -54.6 -18.5 70.2 28.8 47.7 413 457 A R T <4 S+ 0 0 97 -3,-2.9 38,-0.7 1,-0.2 2,-0.3 0.582 119.4 46.2-135.1 -20.4 70.6 27.5 51.3 414 458 A F E < -F 450 0B 14 -4,-1.6 2,-0.3 36,-0.2 -1,-0.2 -0.990 59.5-137.9-134.6 141.7 69.2 30.0 53.9 415 459 A H E -F 449 0B 71 34,-3.4 34,-0.7 -2,-0.3 2,-0.5 -0.739 33.5-138.8 -82.3 142.5 66.1 32.1 54.4 416 460 A V E -F 448 0B 1 -2,-0.3 2,-0.3 32,-0.2 32,-0.2 -0.932 19.9-173.4-115.2 134.1 67.2 35.6 55.7 417 461 A K E -F 447 0B 108 30,-1.6 30,-2.2 -2,-0.5 2,-0.6 -0.914 18.2-136.3-123.7 149.1 65.5 37.5 58.4 418 462 A T E -F 446 0B 12 -2,-0.3 28,-0.2 -139,-0.3 26,-0.1 -0.915 34.5-105.9-109.4 117.9 66.0 41.0 59.8 419 463 A L S > S- 0 0 8 26,-0.7 3,-1.4 -2,-0.6 26,-0.0 -0.152 73.3 -47.3 -43.0 115.5 66.0 41.6 63.6 420 464 A Q T 3 S- 0 0 158 1,-0.2 -2,-0.1 2,-0.0 23,-0.0 -0.179 119.7 -12.8 56.9-139.4 62.7 43.3 64.6 421 465 A G T 3 S+ 0 0 60 5,-0.0 -1,-0.2 2,-0.0 5,-0.1 0.554 98.1 133.2 -73.3 -6.6 61.5 46.3 62.7 422 466 A Q < + 0 0 46 -3,-1.4 2,-0.3 4,-0.1 -4,-0.1 0.063 19.2 146.5 -56.6 152.3 64.8 46.8 60.9 423 467 A C >> - 0 0 26 1,-0.0 4,-1.4 -143,-0.0 3,-1.0 -0.902 62.3 -82.5-176.4 154.4 65.2 47.5 57.1 424 468 A V T 34 S+ 0 0 0 -148,-0.3 3,-0.2 1,-0.3 -147,-0.1 0.740 127.5 45.9 -32.0 -44.5 67.5 49.4 54.7 425 469 A E T 34 S+ 0 0 91 1,-0.2 -1,-0.3 -3,-0.0 -3,-0.1 0.885 113.6 46.6 -74.5 -41.0 65.6 52.6 55.3 426 470 A S T <4 S+ 0 0 62 -3,-1.0 -1,-0.2 -5,-0.1 -2,-0.2 0.519 90.4 105.1 -80.4 -6.7 65.4 52.4 59.1 427 471 A I S < S- 0 0 9 -4,-1.4 2,-0.5 -3,-0.2 16,-0.1 -0.519 77.8-120.2 -71.9 142.1 69.1 51.5 59.3 428 472 A Q - 0 0 111 -2,-0.2 10,-2.5 10,-0.2 2,-0.3 -0.766 36.5-162.9 -90.8 126.5 71.3 54.3 60.5 429 473 A K E -H 437 0D 75 -2,-0.5 2,-0.5 8,-0.2 6,-0.0 -0.777 24.0-140.6-116.3 150.8 73.9 55.3 58.0 430 474 A I E -H 436 0D 63 6,-2.4 6,-1.1 -2,-0.3 2,-0.4 -0.915 18.3-161.8 -96.8 132.4 77.2 57.3 57.8 431 475 A H + 0 0 40 -2,-0.5 -403,-1.5 -407,-0.3 -404,-0.7 -0.594 47.2 109.5-118.6 70.7 77.3 59.3 54.6 432 476 A D S S- 0 0 36 -2,-0.4 -405,-0.5 2,-0.3 -403,-0.0 0.561 90.4 -16.0-108.1-108.5 80.9 60.1 54.0 433 477 A L S S+ 0 0 22 -407,-0.1 -105,-0.3 -406,-0.1 -106,-0.2 0.942 139.8 5.5 -67.9 -48.6 83.2 58.7 51.4 434 478 A S S S- 0 0 16 -108,-0.1 -2,-0.3 -107,-0.1 2,-0.3 -0.236 86.5-105.4-109.2-157.6 80.8 55.9 50.7 435 479 A L + 0 0 18 -110,-1.0 -4,-0.2 -4,-0.2 -109,-0.0 -0.777 59.0 148.4-136.8 87.8 77.3 55.3 52.1 436 480 A H E -H 430 0D 24 -6,-1.1 -6,-2.4 -2,-0.3 -4,-0.1 -0.756 50.4 -79.2-123.5 164.3 77.7 52.4 54.6 437 481 A P E -H 429 0D 2 0, 0.0 2,-0.9 0, 0.0 -8,-0.2 -0.328 43.7-111.8 -63.5 144.5 76.1 51.3 57.9 438 482 A D > - 0 0 28 -10,-2.5 3,-0.6 1,-0.2 -10,-0.2 -0.717 31.9-164.1 -75.3 107.5 77.0 53.1 61.2 439 483 A E T 3 S+ 0 0 77 -2,-0.9 -1,-0.2 1,-0.2 5,-0.1 0.604 79.6 64.3 -79.9 -13.1 78.8 50.2 62.8 440 484 A T T 3 S+ 0 0 124 2,-0.1 -1,-0.2 -3,-0.0 2,-0.1 0.785 92.4 73.3 -80.8 -30.1 78.8 51.7 66.4 441 485 A K S < S- 0 0 105 -3,-0.6 3,-0.1 -13,-0.1 2,-0.1 -0.422 82.1-140.0 -67.4 158.7 75.0 51.5 66.4 442 486 A N + 0 0 127 1,-0.1 -1,-0.1 -2,-0.1 -4,-0.1 -0.232 68.7 80.3-107.5-161.2 73.6 47.9 66.8 443 487 A M + 0 0 75 -2,-0.1 -1,-0.1 1,-0.1 -24,-0.1 0.670 59.4 121.5 71.9 20.5 70.7 45.9 65.3 444 488 A L + 0 0 16 -3,-0.1 -300,-0.3 -5,-0.1 -301,-0.2 0.344 44.9 108.6 -93.2 4.0 72.8 45.2 62.2 445 489 A E - 0 0 53 -303,-0.1 -26,-0.7 -302,-0.1 2,-0.3 -0.233 52.1-154.5 -79.6 167.2 72.6 41.4 62.6 446 490 A M E -EF 141 418B 0 -305,-1.7 -305,-3.3 -28,-0.2 2,-0.5 -0.914 13.4-125.0-135.4 166.2 70.6 38.9 60.6 447 491 A I E -EF 140 417B 50 -30,-2.2 -30,-1.6 -2,-0.3 2,-1.1 -0.963 12.2-155.8-121.4 121.8 69.1 35.4 61.2 448 492 A F E + F 0 416B 19 -309,-0.5 -32,-0.2 -2,-0.5 -309,-0.0 -0.607 16.4 178.9-100.9 73.5 70.0 32.5 58.9 449 493 A T E - F 0 415B 50 -2,-1.1 -34,-3.4 -34,-0.7 -2,-0.1 -0.652 33.0-112.2 -76.7 123.9 67.1 30.1 59.2 450 494 A P E - F 0 414B 96 0, 0.0 2,-0.3 0, 0.0 -35,-0.3 0.347 26.8-132.5 -51.4-177.3 67.7 27.0 56.8 451 495 A R 0 0 70 -38,-0.7 -39,-0.0 -37,-0.1 0, 0.0 -0.999 360.0 360.0-149.1 141.4 65.8 26.0 53.7 452 496 A N 0 0 209 -2,-0.3 -39,-0.0 -38,-0.0 -38,-0.0 -0.344 360.0 360.0 60.2 360.0 64.3 22.9 52.1