==== 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 4GL7 . 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) . 20103.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 330 73.0 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 . 26 5.8 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 . 25 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 191 42.3 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 0 0 0 2 0 2 0 1 0 2 1 1 1 1 2 0 0 0 0 0 0 1 0 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 . 3 0 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 0 118 0, 0.0 341,-0.1 0, 0.0 340,-0.0 0.000 360.0 360.0 360.0 -17.6 76.7 81.0 31.6 2 46 A S - 0 0 95 339,-0.2 0, 0.0 1,-0.0 0, 0.0 0.536 360.0 -78.7 66.4 149.5 78.4 81.9 35.0 3 47 A I - 0 0 48 1,-0.1 38,-0.1 340,-0.0 39,-0.1 -0.588 27.9-145.4-101.1 126.8 78.7 79.9 38.1 4 48 A P + 0 0 40 0, 0.0 38,-0.3 0, 0.0 -1,-0.1 -0.190 47.5 97.5 -68.9 169.9 76.2 79.1 41.0 5 49 A G S S- 0 0 19 36,-0.2 38,-0.1 31,-0.1 3,-0.1 -0.452 73.5 -44.7 125.8 161.6 77.3 78.6 44.7 6 50 A P S S- 0 0 12 0, 0.0 31,-0.0 0, 0.0 3,-0.0 -0.093 71.5 -83.8 -62.2 155.9 77.5 80.6 47.9 7 51 A G - 0 0 61 1,-0.1 2,-0.7 2,-0.1 -2,-0.0 -0.308 37.9-122.4 -55.3 132.8 78.9 84.2 48.0 8 52 A Y - 0 0 131 -3,-0.1 -1,-0.1 1,-0.1 -3,-0.0 -0.772 25.8-159.6 -75.8 116.8 82.6 84.4 48.2 9 53 A C - 0 0 83 -2,-0.7 3,-0.1 1,-0.1 -1,-0.1 0.085 42.8 -96.4 -95.8 25.4 82.9 86.5 51.4 10 54 A M S S- 0 0 165 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.999 108.2 -9.2 53.4 72.0 86.5 87.9 50.9 11 55 A G S > S+ 0 0 37 1,-0.0 4,-0.6 0, 0.0 -1,-0.2 -0.062 135.6 66.2 104.1 -30.9 88.2 85.2 53.0 12 56 A I H > S+ 0 0 89 2,-0.2 4,-2.1 -3,-0.1 5,-0.2 0.757 76.4 82.3 -96.3 -27.8 85.1 83.6 54.4 13 57 A G H > S+ 0 0 1 1,-0.2 4,-0.9 2,-0.2 31,-0.2 0.890 106.2 29.8 -36.5 -64.9 83.6 82.2 51.1 14 58 A P H > S+ 0 0 26 0, 0.0 4,-2.8 0, 0.0 5,-0.4 0.891 112.3 67.4 -58.8 -45.9 85.9 79.1 51.4 15 59 A L H X S+ 0 0 117 -4,-0.6 4,-1.2 1,-0.2 -2,-0.2 0.778 102.2 43.6 -61.2 -34.4 86.0 79.0 55.2 16 60 A I H X S+ 0 0 85 -4,-2.1 4,-2.7 -3,-0.2 -1,-0.2 0.994 117.9 42.0 -64.1 -68.5 82.4 78.2 55.8 17 61 A S H X S+ 0 0 0 -4,-0.9 4,-2.6 -5,-0.2 5,-0.3 0.867 115.0 49.4 -51.0 -50.9 82.0 75.5 53.1 18 62 A H H X S+ 0 0 15 -4,-2.8 4,-1.6 26,-0.5 3,-0.4 0.972 114.6 45.4 -53.2 -56.2 85.3 73.8 53.8 19 63 A G H X S+ 0 0 33 -4,-1.2 4,-2.8 -5,-0.4 5,-0.3 0.866 111.0 55.4 -51.8 -38.0 84.5 73.7 57.5 20 64 A R H X S+ 0 0 87 -4,-2.7 4,-2.8 1,-0.3 5,-0.3 0.881 104.4 51.0 -67.6 -41.6 81.1 72.5 56.6 21 65 A F H X S+ 0 0 1 -4,-2.6 4,-1.5 -3,-0.4 5,-0.3 0.793 112.5 51.7 -59.4 -32.3 82.4 69.5 54.6 22 66 A L H < S+ 0 0 62 -4,-1.6 -2,-0.2 -5,-0.3 -1,-0.2 0.965 116.8 32.7 -73.1 -54.1 84.5 68.9 57.7 23 67 A W H < S+ 0 0 241 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.845 125.6 45.3 -75.3 -30.8 81.7 68.9 60.3 24 68 A M H < S- 0 0 72 -4,-2.8 407,-0.2 -5,-0.3 -3,-0.2 0.950 109.9-114.7 -73.0 -49.1 79.1 67.4 58.0 25 69 A G >X - 0 0 8 -4,-1.5 4,-1.6 -5,-0.3 3,-1.2 0.293 29.5 -97.2 103.1 119.5 81.1 64.6 56.3 26 70 A I H >> S+ 0 0 5 -5,-0.3 4,-1.8 1,-0.3 3,-0.5 0.779 117.1 58.1 -36.2 -59.6 81.8 64.9 52.6 27 71 A G H 3> S+ 0 0 0 405,-2.1 4,-1.9 1,-0.3 -1,-0.3 0.826 112.2 37.5 -40.1 -54.5 78.9 62.8 51.4 28 72 A S H <> S+ 0 0 36 403,-1.4 4,-1.2 -3,-1.2 -1,-0.3 0.800 107.4 66.3 -75.8 -28.3 76.1 64.8 53.0 29 73 A A H X S+ 0 0 52 -4,-1.2 3,-2.2 2,-0.1 4,-1.9 0.896 113.3 47.4 -91.3 -62.1 73.2 69.4 50.8 33 77 A Y H 3X S+ 0 0 4 -4,-3.2 4,-1.4 1,-0.3 -2,-0.2 0.675 109.8 59.2 -57.0 -19.0 75.0 71.9 48.6 34 78 A N H 3< S+ 0 0 0 -4,-2.3 -1,-0.3 -5,-0.2 -3,-0.1 0.685 107.9 42.4 -82.6 -23.3 73.3 70.3 45.6 35 79 A R H <4 S+ 0 0 149 -3,-2.2 -2,-0.2 -5,-0.2 -1,-0.1 0.760 112.4 54.1 -92.0 -30.5 69.8 70.9 46.9 36 80 A V H < S+ 0 0 69 -4,-1.9 2,-0.2 2,-0.1 -2,-0.2 0.918 125.7 10.8 -71.3 -48.6 70.5 74.5 48.1 37 81 A Y S < S- 0 0 70 -4,-1.4 4,-0.1 1,-0.3 0, 0.0 -0.438 110.8 -52.1-110.8-165.2 71.8 75.6 44.7 38 82 A G - 0 0 34 2,-0.4 -1,-0.3 -2,-0.2 -2,-0.1 0.216 54.7 -94.6 -61.5-178.2 71.6 73.8 41.3 39 83 A E S S+ 0 0 55 1,-0.2 15,-3.4 -4,-0.1 16,-1.3 0.190 123.3 48.5 -77.8 15.5 72.6 70.3 40.3 40 84 A F E S+A 53 0A 4 13,-0.2 -2,-0.4 14,-0.2 2,-0.2 -0.853 79.5 133.1-158.5 111.6 75.8 72.2 39.3 41 85 A M E -A 52 0A 0 11,-1.6 11,-1.2 -2,-0.3 2,-0.4 -0.806 42.2-109.5-150.8-170.5 77.4 74.5 41.7 42 86 A R E +A 51 0A 28 -38,-0.3 9,-0.2 -2,-0.2 2,-0.2 -0.988 27.3 164.3-143.6 134.3 80.7 75.6 43.4 43 87 A V E -A 50 0A 0 7,-2.5 7,-1.9 -2,-0.4 2,-0.4 -0.647 34.3-113.4-129.1-178.3 82.3 75.4 46.8 44 88 A W E +A 49 0A 17 -31,-0.2 2,-0.6 -30,-0.2 -26,-0.5 -0.858 25.0 177.6-130.8 98.7 85.8 75.8 48.2 45 89 A I S S- 0 0 7 3,-0.8 3,-0.1 -2,-0.4 304,-0.1 -0.915 77.1 -28.8 -97.2 121.7 87.7 72.8 49.7 46 90 A S S S- 0 0 37 -2,-0.6 -28,-0.1 1,-0.2 139,-0.0 -0.311 117.9 -43.6 55.3-153.4 91.0 74.2 50.7 47 91 A G S S+ 0 0 66 2,-0.1 -1,-0.2 -2,-0.0 -2,-0.0 0.971 117.3 91.5 -61.0 -51.0 92.1 77.1 48.5 48 92 A E S S- 0 0 89 -3,-0.1 -3,-0.8 1,-0.1 300,-0.1 -0.037 80.2-113.4 -61.8 139.3 91.0 75.5 45.3 49 93 A E E -A 44 0A 72 -5,-0.2 300,-1.8 -7,-0.0 2,-0.3 -0.314 33.4-165.3 -58.9 148.2 87.6 75.9 43.6 50 94 A T E -Ab 43 349A 0 -7,-1.9 -7,-2.5 298,-0.2 2,-0.4 -0.957 11.0-146.2-146.9 124.9 85.6 72.7 43.5 51 95 A L E -Ab 42 350A 9 298,-3.1 300,-2.9 -2,-0.3 2,-0.5 -0.759 6.5-161.3 -90.0 132.3 82.6 71.9 41.4 52 96 A I E +Ab 41 351A 0 -11,-1.2 -11,-1.6 -2,-0.4 2,-0.3 -0.968 22.7 179.3-114.5 119.8 79.9 69.6 42.8 53 97 A I E +Ab 40 352A 0 298,-2.3 300,-3.2 -2,-0.5 -13,-0.2 -0.906 32.6 162.0-129.7 143.4 77.7 68.2 40.1 54 98 A S + 0 0 2 -15,-3.4 2,-0.3 -2,-0.3 -14,-0.2 0.451 42.1 118.7-135.3 -8.1 74.8 65.9 39.6 55 99 A K > - 0 0 78 -16,-1.3 4,-2.5 1,-0.1 3,-0.5 -0.489 62.7-137.6 -61.3 121.9 73.3 66.7 36.1 56 100 A S H > S+ 0 0 0 -2,-0.3 4,-2.2 1,-0.2 -1,-0.1 0.758 101.9 57.2 -58.4 -27.2 73.7 63.5 34.0 57 101 A S H > S+ 0 0 43 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.926 109.8 42.6 -65.2 -49.1 74.9 65.5 31.0 58 102 A S H > S+ 0 0 0 -3,-0.5 4,-1.9 2,-0.2 -2,-0.2 0.916 113.3 55.1 -61.9 -46.2 77.8 67.1 32.9 59 103 A M H >X S+ 0 0 1 -4,-2.5 4,-1.8 1,-0.2 3,-0.9 0.972 108.9 45.2 -46.8 -67.4 78.5 63.7 34.5 60 104 A F H 3X S+ 0 0 46 -4,-2.2 4,-1.0 1,-0.3 -1,-0.2 0.840 109.3 56.6 -48.7 -46.8 78.9 61.9 31.2 61 105 A H H 3X S+ 0 0 39 -4,-1.9 4,-1.4 1,-0.2 3,-0.3 0.874 109.5 45.6 -52.6 -45.2 81.0 64.6 29.7 62 106 A I H << S+ 0 0 1 -4,-1.9 -2,-0.2 -3,-0.9 -1,-0.2 0.935 111.9 46.5 -72.1 -47.6 83.6 64.4 32.5 63 107 A M H < S+ 0 0 2 -4,-1.8 328,-0.4 1,-0.2 -1,-0.2 0.627 112.2 56.5 -69.2 -12.2 84.1 60.6 32.7 64 108 A K H < S+ 0 0 106 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.905 91.7 62.4 -94.2 -51.8 84.3 60.3 29.0 65 109 A H S >< S- 0 0 66 -4,-1.4 3,-0.6 1,-0.1 4,-0.1 -0.406 81.3-123.0 -76.9 158.4 87.2 62.6 27.7 66 110 A N G > S+ 0 0 95 1,-0.2 3,-2.2 2,-0.1 2,-0.3 0.830 96.6 78.8 -75.7 -31.0 90.7 61.9 28.8 67 111 A H G 3 S+ 0 0 50 1,-0.3 267,-2.7 269,-0.1 268,-0.7 0.241 91.5 57.7 -64.9 17.6 91.6 65.3 30.4 68 112 A Y G < + 0 0 1 -3,-0.6 2,-2.4 -2,-0.3 264,-0.8 0.415 66.2 116.2-123.7 -5.5 89.6 64.3 33.5 69 113 A S < + 0 0 4 -3,-2.2 2,-0.3 262,-0.1 262,-0.1 -0.439 59.5 79.9 -69.9 73.0 91.4 61.1 34.5 70 114 A S - 0 0 3 -2,-2.4 262,-2.2 262,-0.2 22,-0.1 -0.872 59.3-152.3-170.0 147.4 92.8 62.3 37.9 71 115 A R - 0 0 40 260,-0.3 2,-0.3 -2,-0.3 260,-0.2 -0.293 15.4-135.8-109.0-163.7 91.4 62.8 41.3 72 116 A F + 0 0 10 -2,-0.1 2,-0.2 278,-0.1 258,-0.1 -0.866 29.9 132.2-146.1 178.9 92.3 65.2 44.1 73 117 A G - 0 0 21 -2,-0.3 112,-0.2 112,-0.0 111,-0.1 -0.521 63.5 -45.2 143.7 153.4 92.9 65.5 47.9 74 118 A S >> - 0 0 13 110,-1.9 4,-2.2 1,-0.2 3,-1.5 -0.174 46.3-144.5 -45.2 111.8 95.3 67.0 50.5 75 119 A K H 3> S+ 0 0 117 1,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.804 101.0 53.8 -46.1 -37.1 98.8 66.1 49.3 76 120 A L H 3> S+ 0 0 55 2,-0.2 4,-1.0 3,-0.2 -1,-0.3 0.770 109.2 48.1 -74.0 -27.7 99.8 65.6 52.9 77 121 A G H <> S+ 0 0 0 -3,-1.5 4,-1.9 2,-0.2 3,-0.5 0.954 112.6 45.1 -75.2 -55.4 96.9 63.2 53.6 78 122 A L H X>S+ 0 0 1 -4,-2.2 6,-1.2 1,-0.3 4,-1.1 0.827 113.4 54.4 -55.5 -33.8 97.5 61.0 50.5 79 123 A Q H <5S+ 0 0 90 -4,-1.6 -1,-0.3 -5,-0.4 -2,-0.2 0.867 106.9 50.6 -65.2 -37.8 101.2 61.2 51.5 80 124 A C H <5S+ 0 0 31 -4,-1.0 -2,-0.2 -3,-0.5 -1,-0.2 0.816 114.4 40.6 -75.9 -33.2 100.4 59.9 54.9 81 125 A I H <5S- 0 0 1 -4,-1.9 -1,-0.2 99,-0.1 -2,-0.2 0.552 117.4-107.5 -95.4 -10.3 98.3 56.9 53.9 82 126 A G T <5S+ 0 0 5 -4,-1.1 -3,-0.2 -5,-0.3 -4,-0.1 0.276 90.8 105.5 111.7 -9.2 100.7 56.0 51.0 83 127 A M > < + 0 0 0 -5,-0.9 2,-1.3 -6,-0.2 3,-0.7 0.234 35.6 126.7 -92.2 13.9 98.7 57.0 47.9 84 128 A H T 3 S- 0 0 34 -6,-1.2 7,-0.1 1,-0.3 -9,-0.0 -0.616 103.9 -34.4 -72.1 99.5 100.7 60.2 47.0 85 129 A E T 3 S+ 0 0 76 -2,-1.3 -1,-0.3 5,-0.4 6,-0.1 0.883 131.4 85.5 53.8 45.7 101.5 59.3 43.4 86 130 A K S < S+ 0 0 60 -3,-0.7 -3,-0.2 168,-0.1 169,-0.1 0.569 77.5 46.5-140.0 -33.9 101.9 55.6 44.2 87 131 A G S S- 0 0 0 -4,-0.3 168,-0.1 1,-0.1 13,-0.1 0.390 71.8-128.0 -84.7-142.8 98.6 53.8 44.1 88 132 A I S > S+ 0 0 14 166,-0.2 3,-1.1 12,-0.1 -1,-0.1 0.305 96.7 66.2-127.8 -46.2 96.0 53.9 41.5 89 133 A I T 3 S+ 0 0 45 1,-0.3 -6,-0.0 3,-0.0 -18,-0.0 0.850 130.2 8.0 -42.6 -48.0 92.8 54.6 43.4 90 134 A F T 3 S+ 0 0 12 -19,-0.1 -5,-0.4 -12,-0.1 2,-0.4 0.150 93.6 132.4-123.7 18.8 94.2 58.0 44.3 91 135 A N < - 0 0 0 -3,-1.1 -20,-0.2 1,-0.1 -7,-0.1 -0.587 29.1-178.8 -70.6 126.6 97.3 58.2 42.2 92 136 A N + 0 0 36 -2,-0.4 -1,-0.1 -9,-0.2 3,-0.1 0.409 46.9 104.9-113.1 1.1 97.3 61.5 40.5 93 137 A N > - 0 0 49 1,-0.2 4,-4.0 2,-0.1 3,-0.5 -0.683 60.2-155.1 -85.5 96.3 100.5 61.5 38.4 94 138 A P H > S+ 0 0 42 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.712 90.1 42.2 -56.6 -29.1 98.9 60.9 35.0 95 139 A E H > S+ 0 0 134 2,-0.2 4,-1.5 3,-0.1 5,-0.1 0.934 120.5 42.8 -73.9 -47.3 102.0 59.3 33.4 96 140 A L H > S+ 0 0 50 -3,-0.5 4,-0.5 2,-0.2 -1,-0.1 0.835 116.6 48.5 -67.0 -38.1 102.7 57.2 36.5 97 141 A W H >X S+ 0 0 7 -4,-4.0 4,-2.4 1,-0.2 3,-1.5 0.942 109.1 53.4 -61.3 -48.8 99.0 56.4 36.9 98 142 A K H 3< S+ 0 0 106 -4,-2.0 -2,-0.2 -5,-0.4 -1,-0.2 0.787 107.1 51.9 -60.8 -30.5 98.8 55.5 33.2 99 143 A T H 3< S+ 0 0 74 -4,-1.5 -1,-0.3 2,-0.1 4,-0.2 0.609 115.3 40.4 -81.9 -12.8 101.6 53.0 33.5 100 144 A T H XX S+ 0 0 0 -3,-1.5 3,-2.0 -4,-0.5 4,-0.8 0.858 97.0 69.2-102.1 -48.6 100.1 51.2 36.5 101 145 A R H 3X S+ 0 0 19 -4,-2.4 4,-2.7 1,-0.3 3,-0.4 0.838 88.7 70.9 -42.7 -42.3 96.4 50.9 35.8 102 146 A P H 3> S+ 0 0 64 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.907 96.7 51.5 -34.6 -53.9 97.4 48.5 33.0 103 147 A F H <> S+ 0 0 37 -3,-2.0 4,-1.7 -4,-0.2 -2,-0.2 0.844 113.6 41.6 -62.1 -41.3 98.3 45.9 35.7 104 148 A F H X S+ 0 0 7 -4,-0.8 4,-1.9 -3,-0.4 -1,-0.2 0.983 113.6 52.2 -66.1 -58.2 95.0 46.2 37.6 105 149 A M H < S+ 0 0 86 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.778 110.3 53.6 -45.6 -32.4 92.9 46.3 34.4 106 150 A K H >< S+ 0 0 115 -4,-2.0 3,-0.7 -5,-0.4 6,-0.2 0.968 111.0 38.7 -71.2 -57.4 94.7 43.2 33.3 107 151 A A H 3< S+ 0 0 25 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.632 107.0 65.4 -75.8 -17.3 94.1 40.8 36.3 108 152 A L T 3< S+ 0 0 15 -4,-1.9 290,-0.7 -5,-0.1 2,-0.3 -0.160 107.7 38.9 -96.2 34.7 90.5 42.0 36.9 109 153 A S S X S+ 0 0 45 -3,-0.7 3,-1.0 288,-0.1 5,-0.1 -0.975 98.3 13.6-166.7 168.4 89.4 40.5 33.6 110 154 A G T >> S+ 0 0 53 -2,-0.3 4,-0.6 1,-0.3 3,-0.5 -0.437 121.4 17.8 68.1-107.5 89.7 37.6 31.1 111 155 A P H >> S+ 0 0 96 0, 0.0 4,-1.2 0, 0.0 3,-0.8 0.927 130.9 44.7 -67.3 -44.4 91.4 34.6 32.5 112 156 A G H <> S+ 0 0 17 -3,-1.0 4,-0.6 -6,-0.2 -2,-0.2 0.462 102.2 66.5 -81.8 -3.3 91.0 35.5 36.2 113 157 A L H <> S+ 0 0 25 -3,-0.5 4,-0.9 2,-0.2 -1,-0.2 0.673 103.1 46.5 -90.4 -18.1 87.4 36.5 35.8 114 158 A V H << S+ 0 0 67 -3,-0.8 4,-0.3 -4,-0.6 189,-0.2 0.822 112.3 50.9 -81.1 -39.4 86.5 32.9 35.1 115 159 A R H X S+ 0 0 120 -4,-1.2 4,-1.4 1,-0.2 3,-0.3 0.703 104.4 61.8 -67.3 -23.1 88.6 31.7 38.0 116 160 A M H >X S+ 0 0 2 -4,-0.6 4,-3.1 2,-0.2 3,-0.7 0.973 93.4 56.9 -69.7 -57.6 86.8 34.3 40.3 117 161 A V H 3< S+ 0 0 0 -4,-0.9 4,-0.3 1,-0.3 -1,-0.2 0.609 115.8 41.3 -55.8 -10.4 83.3 33.0 40.1 118 162 A T H 3> S+ 0 0 56 -3,-0.3 4,-0.5 -4,-0.3 -1,-0.3 0.704 115.2 46.2-108.8 -25.0 84.6 29.7 41.3 119 163 A V H S+ 0 0 4 -5,-0.4 4,-1.2 -4,-0.3 -2,-0.2 0.729 112.8 54.1 -72.3 -24.5 82.0 30.3 45.8 122 166 A E H X S+ 0 0 97 -4,-0.5 4,-2.4 2,-0.2 -2,-0.2 0.911 107.2 45.4 -76.6 -45.6 84.8 28.5 47.5 123 167 A S H X S+ 0 0 4 -4,-1.8 4,-1.3 1,-0.2 -2,-0.2 0.869 117.0 44.9 -71.1 -36.7 85.8 31.1 50.1 124 168 A L H < S+ 0 0 0 -4,-1.4 4,-0.3 2,-0.2 -1,-0.2 0.849 112.9 52.7 -72.7 -34.8 82.1 31.7 51.1 125 169 A K H >X S+ 0 0 69 -4,-1.2 3,-1.3 1,-0.2 4,-0.5 0.932 109.0 48.3 -62.2 -48.4 81.4 28.0 51.1 126 170 A T H >< S+ 0 0 60 -4,-2.4 3,-0.7 1,-0.3 -1,-0.2 0.852 110.1 52.1 -65.1 -32.8 84.3 27.3 53.4 127 171 A H T 3< S+ 0 0 19 -4,-1.3 3,-0.3 1,-0.2 -1,-0.3 0.417 100.7 62.5 -84.9 0.8 83.3 30.1 55.9 128 172 A L T X4 S+ 0 0 7 -3,-1.3 3,-0.5 -4,-0.3 -1,-0.2 0.540 94.3 59.2-100.3 -9.0 79.8 28.8 56.1 129 173 A D T << S+ 0 0 90 -3,-0.7 -1,-0.2 -4,-0.5 -2,-0.1 -0.284 109.0 52.6-100.3 45.1 80.9 25.5 57.7 130 174 A R T > + 0 0 116 -3,-0.3 3,-1.4 0, 0.0 -1,-0.2 0.028 55.8 135.3-175.8 27.3 82.3 27.9 60.3 131 175 A L G X> + 0 0 28 -3,-0.5 3,-2.1 1,-0.3 4,-1.8 0.665 60.7 88.5 -62.9 -14.3 79.5 30.2 61.4 132 176 A E G 34 S+ 0 0 133 1,-0.3 -1,-0.3 2,-0.2 -4,-0.0 0.523 83.4 57.2 -58.8 -4.9 80.9 29.4 64.9 133 177 A E G <4 S+ 0 0 116 -3,-1.4 -1,-0.3 -6,-0.2 -2,-0.2 0.479 117.4 25.2-104.3 -7.2 83.2 32.4 64.2 134 178 A V T <4 S+ 0 0 14 -3,-2.1 8,-2.1 2,-0.1 2,-0.3 0.419 94.6 103.9-140.8 -8.1 80.6 35.1 63.6 135 179 A T B < -D 141 0B 54 -4,-1.8 6,-0.3 6,-0.2 5,-0.1 -0.682 58.9-135.0 -93.4 136.0 77.4 33.9 65.5 136 180 A N - 0 0 89 4,-2.2 3,-0.3 -2,-0.3 -1,-0.1 0.125 33.0-103.6 -57.5-177.3 76.1 35.3 68.8 137 181 A E S S+ 0 0 187 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.912 127.8 51.1 -70.1 -53.1 74.9 33.1 71.6 138 182 A S S S- 0 0 73 1,-0.1 -1,-0.2 2,-0.1 -2,-0.1 0.189 131.7 -99.4 -71.1 21.5 71.3 34.1 70.6 139 183 A G S S+ 0 0 29 -3,-0.3 2,-0.7 1,-0.2 309,-0.5 0.586 70.8 153.7 75.6 15.3 72.3 33.1 67.1 140 184 A Y - 0 0 72 307,-0.1 -4,-2.2 -5,-0.1 2,-0.4 -0.658 32.1-149.4 -79.7 114.3 73.0 36.6 65.7 141 185 A V B -DE 135 446B 2 305,-3.2 305,-3.2 -2,-0.7 2,-1.4 -0.710 12.3-137.1 -83.4 133.3 75.5 36.6 62.9 142 186 A D >> - 0 0 58 -8,-2.1 4,-0.9 -2,-0.4 3,-0.6 -0.744 26.4-171.3 -82.0 85.9 77.7 39.7 62.5 143 187 A V H >> S+ 0 0 2 -2,-1.4 4,-2.4 301,-0.4 3,-1.7 0.915 72.3 61.3 -54.3 -51.3 77.2 39.7 58.7 144 188 A L H 3> S+ 0 0 2 300,-0.5 4,-3.2 1,-0.3 -1,-0.2 0.812 105.0 45.3 -43.9 -48.6 79.8 42.4 58.0 145 189 A T H <> S+ 0 0 20 -3,-0.6 4,-0.8 2,-0.2 -1,-0.3 0.613 110.0 56.2 -81.5 -10.6 82.8 40.5 59.4 146 190 A L H S+ 0 0 2 -4,-2.1 4,-2.2 2,-0.2 5,-0.5 0.902 112.8 48.4 -52.5 -47.4 91.1 38.8 47.1 156 200 A N H X>S+ 0 0 6 -4,-3.1 4,-2.6 1,-0.2 5,-2.1 0.985 109.7 46.9 -55.7 -71.9 94.1 36.9 48.4 157 201 A T H <5S+ 0 0 49 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.660 118.1 45.4 -52.0 -19.8 93.8 33.5 46.6 158 202 A L H <5S+ 0 0 18 -4,-1.6 -1,-0.2 -3,-0.2 76,-0.2 0.954 127.8 17.2 -83.5 -57.9 93.2 35.4 43.3 159 203 A F H <5S+ 0 0 11 -4,-2.2 76,-1.6 -5,-0.2 77,-0.2 0.767 141.1 6.2 -91.2 -30.9 95.8 38.1 43.2 160 204 A L T << - 0 0 3 -4,-2.6 -3,-0.2 -5,-0.5 -4,-0.1 0.717 68.4-164.2-123.3 -41.0 98.5 37.2 45.8 161 205 A R < + 0 0 99 -5,-2.1 -4,-0.1 -6,-0.2 -5,-0.1 0.932 33.0 142.9 34.6 77.0 97.8 33.7 47.3 162 206 A I - 0 0 4 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.973 60.7-103.2-135.7 118.3 100.0 33.7 50.4 163 207 A P + 0 0 104 0, 0.0 2,-0.2 0, 0.0 0, 0.0 -0.212 58.0 165.1 -39.9 120.6 98.9 32.0 53.7 164 208 A L - 0 0 41 -11,-0.0 2,-0.9 50,-0.0 -11,-0.0 -0.793 46.1 -90.0-136.3 172.7 97.9 34.9 56.0 165 209 A D > - 0 0 93 -2,-0.2 4,-1.9 1,-0.2 5,-0.3 -0.806 36.1-169.2 -94.2 103.7 96.0 35.7 59.2 166 210 A E H > S+ 0 0 44 -2,-0.9 4,-1.9 1,-0.2 -1,-0.2 0.948 80.4 43.3 -56.1 -60.0 92.4 36.3 58.1 167 211 A S H > S+ 0 0 56 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.867 114.3 49.1 -56.5 -47.0 90.9 37.7 61.4 168 212 A A H > S+ 0 0 35 1,-0.2 4,-1.5 2,-0.2 3,-0.4 0.901 111.1 47.5 -64.3 -45.4 93.8 40.0 62.2 169 213 A I H X S+ 0 0 18 -4,-1.9 4,-2.9 1,-0.2 5,-0.3 0.903 100.1 66.8 -67.6 -42.5 94.1 41.7 58.8 170 214 A V H X S+ 0 0 5 -4,-1.9 4,-1.3 -5,-0.3 -1,-0.2 0.840 105.8 43.0 -46.1 -42.9 90.4 42.4 58.4 171 215 A V H X S+ 0 0 89 -4,-0.9 4,-2.2 -3,-0.4 -1,-0.2 0.938 111.4 53.6 -70.0 -47.6 90.5 44.9 61.3 172 216 A K H X S+ 0 0 66 -4,-1.5 4,-2.2 1,-0.3 35,-0.2 0.896 108.1 49.8 -56.4 -44.3 93.7 46.5 60.2 173 217 A I H X S+ 0 0 7 -4,-2.9 4,-2.6 1,-0.2 -1,-0.3 0.862 110.7 52.0 -59.0 -38.3 92.2 47.1 56.7 174 218 A Q H X S+ 0 0 44 -4,-1.3 4,-1.5 -5,-0.3 -2,-0.2 0.835 108.7 48.9 -67.3 -35.4 89.3 48.6 58.6 175 219 A G H X S+ 0 0 21 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.816 110.7 52.7 -71.4 -34.0 91.6 50.9 60.6 176 220 A Y H X S+ 0 0 0 -4,-2.2 4,-2.2 -5,-0.2 5,-0.3 0.963 105.3 51.8 -63.2 -55.2 93.3 51.9 57.4 177 221 A F H X S+ 0 0 26 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.895 105.6 57.9 -54.1 -40.7 90.0 52.9 55.7 178 222 A D H X S+ 0 0 90 -4,-1.5 4,-1.8 2,-0.2 -1,-0.2 0.945 110.0 42.5 -46.9 -56.9 89.2 55.0 58.7 179 223 A A H >X S+ 0 0 0 -4,-1.5 4,-1.9 -3,-0.3 3,-0.8 0.960 111.3 52.9 -57.9 -62.5 92.4 57.0 58.2 180 224 A W H 3X S+ 0 0 15 -4,-2.2 4,-0.5 1,-0.3 -1,-0.2 0.877 112.2 48.6 -34.0 -49.9 92.2 57.3 54.5 181 225 A Q H 3< S+ 0 0 21 -4,-2.5 -1,-0.3 -5,-0.3 4,-0.3 0.831 115.0 44.3 -69.3 -35.2 88.7 58.7 55.1 182 226 A A H X< S+ 0 0 8 -4,-1.8 3,-0.8 -3,-0.8 -2,-0.2 0.997 115.7 40.5 -70.0 -67.6 89.8 61.2 57.8 183 227 A L H 3< S+ 0 0 0 -4,-1.9 -1,-0.2 1,-0.2 -105,-0.2 0.317 86.9 97.6 -69.5 4.6 93.0 62.7 56.3 184 228 A L T 3< S+ 0 0 0 -4,-0.5 -110,-1.9 -5,-0.3 -1,-0.2 0.889 104.7 8.4 -68.8 -39.8 91.7 63.0 52.7 185 229 A I S < S+ 0 0 11 -3,-0.8 -1,-0.2 -4,-0.3 -139,-0.1 0.085 86.0 137.5-129.9 22.8 90.6 66.7 52.9 186 230 A K - 0 0 36 -4,-0.2 5,-0.2 -3,-0.1 -110,-0.1 -0.645 60.5-116.4 -70.8 114.1 92.0 67.8 56.3 187 231 A P > - 0 0 28 0, 0.0 3,-2.8 0, 0.0 4,-0.4 -0.162 28.3-100.7 -61.9 149.7 93.5 71.3 55.5 188 232 A D G > S+ 0 0 79 1,-0.3 3,-0.7 2,-0.2 4,-0.2 0.618 117.3 65.7 -57.3 -25.6 97.2 71.7 55.9 189 233 A I G >> S+ 0 0 138 1,-0.2 3,-1.7 2,-0.2 4,-0.8 0.839 92.8 66.3 -57.1 -37.6 97.1 73.4 59.4 190 234 A F G <4 S+ 0 0 34 -3,-2.8 3,-0.3 1,-0.3 -1,-0.2 0.871 92.8 60.1 -48.7 -43.9 95.7 70.1 60.7 191 235 A F G <4 S+ 0 0 19 -3,-0.7 -1,-0.3 -4,-0.4 -2,-0.2 0.489 93.8 64.4 -75.7 -3.5 99.0 68.3 60.0 192 236 A K T <4 S+ 0 0 150 -3,-1.7 2,-1.9 -4,-0.2 -1,-0.2 0.938 85.8 69.6 -83.6 -51.2 101.1 70.5 62.3 193 237 A I >< - 0 0 74 -4,-0.8 3,-0.6 -3,-0.3 4,-0.2 -0.473 67.4-176.2 -67.2 83.4 99.5 69.6 65.6 194 238 A S G >> S+ 0 0 37 -2,-1.9 3,-2.4 1,-0.3 4,-1.7 0.845 72.5 70.9 -56.8 -41.9 100.9 66.0 65.7 195 239 A W G 34 S+ 0 0 207 1,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.072 97.6 58.3 -63.9 31.6 99.1 65.0 68.9 196 240 A L G <4 S+ 0 0 71 -2,-1.7 -1,-0.3 -3,-0.6 -2,-0.2 0.432 116.3 20.3-134.5 -14.5 96.0 65.1 66.7 197 241 A Y T X> S+ 0 0 37 -3,-2.4 4,-2.3 -4,-0.2 3,-1.3 0.562 88.7 88.4-140.0 -15.6 96.7 62.6 63.9 198 242 A K H 3X S+ 0 0 93 -4,-1.7 4,-1.3 1,-0.3 5,-0.2 0.754 81.6 82.4 -61.6 -21.2 99.5 60.1 64.8 199 243 A K H 3> S+ 0 0 156 -5,-0.3 4,-0.7 2,-0.2 3,-0.4 0.942 106.0 21.0 -21.8 -72.3 96.3 58.5 66.0 200 244 A Y H <> S+ 0 0 58 -3,-1.3 4,-1.1 1,-0.2 3,-0.5 0.884 113.0 72.3 -76.6 -46.6 95.7 57.4 62.4 201 245 A E H X S+ 0 0 85 -4,-2.3 4,-0.9 1,-0.3 -1,-0.2 0.612 100.9 47.8 -52.1 -15.6 99.4 57.6 61.3 202 246 A K H X S+ 0 0 114 -4,-1.3 4,-1.6 -3,-0.4 -1,-0.3 0.850 104.9 54.7 -92.6 -39.8 100.1 54.5 63.4 203 247 A S H X S+ 0 0 31 -4,-0.7 4,-0.8 -3,-0.5 -2,-0.2 0.542 108.3 55.4 -69.5 -6.8 97.1 52.3 62.2 204 248 A V H >X S+ 0 0 10 -4,-1.1 4,-2.9 2,-0.2 3,-0.5 0.905 108.3 42.7 -80.6 -62.2 98.5 52.9 58.7 205 249 A K H 3X S+ 0 0 102 -4,-0.9 4,-2.3 1,-0.2 5,-0.2 0.756 108.3 68.1 -55.9 -22.6 102.0 51.6 59.4 206 250 A D H 3X S+ 0 0 64 -4,-1.6 4,-0.9 2,-0.2 -1,-0.2 0.958 111.1 27.8 -59.8 -56.3 100.0 48.9 61.2 207 251 A L H X S+ 0 0 5 -4,-1.7 4,-2.1 2,-0.2 3,-0.9 0.852 100.3 66.3 -82.4 -38.5 101.7 43.4 54.4 212 256 A E H 3X S+ 0 0 67 -4,-1.8 4,-1.3 1,-0.3 -2,-0.2 0.770 98.4 58.6 -51.7 -26.3 105.5 44.0 53.9 213 257 A V H 3X S+ 0 0 103 -4,-0.6 4,-1.2 2,-0.2 -1,-0.3 0.893 106.7 45.5 -66.0 -45.9 105.7 40.6 55.7 214 258 A L H - 0 0 125 -2,-1.2 3,-1.5 2,-0.1 -1,-0.2 0.932 60.1-116.2 49.7 112.3 109.3 27.7 35.7 228 272 A L G > S+ 0 0 76 1,-0.2 3,-1.3 2,-0.1 -2,-0.1 0.691 99.8 58.6 -47.5 -59.7 107.7 31.2 35.7 229 273 A E G 3 S+ 0 0 140 1,-0.3 3,-0.5 2,-0.1 -1,-0.2 0.551 84.3 90.2 -52.5 -13.2 104.9 31.5 32.9 230 274 A E G < S+ 0 0 116 -3,-1.5 2,-0.3 1,-0.2 -1,-0.3 0.891 101.3 13.7 -45.8 -51.3 103.0 28.6 34.6 231 275 A C S < S- 0 0 47 -3,-1.3 2,-0.4 -4,-0.1 -1,-0.2 -0.730 71.9-170.8-143.2 78.3 100.9 30.7 37.0 232 276 A M + 0 0 80 -3,-0.5 2,-0.3 -2,-0.3 -3,-0.1 -0.631 14.9 171.6 -82.6 126.1 100.8 34.5 36.4 233 277 A D > - 0 0 11 -2,-0.4 4,-2.1 -73,-0.1 5,-0.4 -0.976 48.8-101.3-138.0 148.3 99.1 36.6 39.1 234 278 A F H > S+ 0 0 6 -2,-0.3 4,-0.5 1,-0.2 -74,-0.1 0.670 121.3 52.6 -40.2 -27.1 98.7 40.3 39.9 235 279 A A H >> S+ 0 0 1 -76,-1.6 4,-2.1 2,-0.2 3,-1.5 0.984 112.8 39.8 -71.5 -61.9 101.5 40.0 42.5 236 280 A T H 3> S+ 0 0 11 -3,-0.3 4,-2.8 1,-0.3 5,-0.4 0.876 107.3 61.7 -59.8 -44.5 104.1 38.4 40.2 237 281 A E H 3X S+ 0 0 63 -4,-2.1 4,-1.2 1,-0.2 -1,-0.3 0.808 112.5 42.1 -48.8 -32.1 103.2 40.5 37.2 238 282 A L H <>S+ 0 0 0 -4,-1.2 5,-1.7 -5,-0.4 3,-1.3 0.904 109.4 51.5 -50.5 -40.5 108.0 44.5 36.3 242 286 A E H 3<5S+ 0 0 40 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.835 100.0 61.6 -63.4 -37.8 110.1 45.6 39.2 243 287 A K T 3<5S+ 0 0 115 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.318 110.7 45.7 -74.9 5.1 112.8 43.1 38.2 244 288 A R T < 5S- 0 0 151 -3,-1.3 3,-0.2 -4,-0.2 -3,-0.1 -0.284 116.7 -88.3-110.6-146.1 113.0 45.1 35.0 245 289 A G T 5S+ 0 0 77 -2,-0.2 -3,-0.2 1,-0.1 -4,-0.1 -0.051 99.1 96.1-114.8 37.0 113.1 48.9 35.1 246 290 A D S > - 0 0 77 -2,-0.3 4,-2.1 1,-0.1 3,-1.2 -0.555 23.6-133.7 -71.8 138.3 109.5 51.3 42.1 249 293 A R H 3> S+ 0 0 112 1,-0.3 4,-2.1 -2,-0.2 5,-0.2 0.931 112.0 58.3 -56.0 -43.1 109.5 48.7 45.0 250 294 A E H 3> S+ 0 0 103 1,-0.2 4,-0.6 2,-0.2 -1,-0.3 0.758 109.0 45.2 -46.0 -33.8 107.8 51.6 47.0 251 295 A N H <> S+ 0 0 1 -3,-1.2 4,-1.1 2,-0.2 -1,-0.2 0.775 107.3 55.6 -92.9 -34.6 105.1 51.6 44.3 252 296 A V H >X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 3,-1.8 0.988 104.6 53.8 -58.3 -59.6 104.6 47.9 44.0 253 297 A N H 3X S+ 0 0 5 -4,-2.1 4,-1.2 1,-0.3 -1,-0.2 0.772 107.0 50.9 -53.6 -31.5 103.9 47.5 47.7 254 298 A Q H 3X S+ 0 0 0 -4,-0.6 4,-2.9 -5,-0.2 -1,-0.3 0.791 111.1 49.0 -76.8 -27.6 101.2 50.1 47.6 255 299 A C H X S+ 0 0 1 -4,-1.2 4,-2.0 -5,-0.4 3,-0.6 0.936 107.6 54.6 -75.4 -50.3 97.9 46.8 49.1 258 302 A E H 3X S+ 0 0 2 -4,-2.9 4,-0.6 1,-0.2 -2,-0.2 0.728 110.0 52.9 -58.4 -16.8 95.5 48.8 47.1 259 303 A M H 3X S+ 0 0 6 -4,-1.5 4,-0.6 2,-0.2 -1,-0.2 0.791 107.7 45.3 -88.0 -33.8 94.3 45.4 45.7 260 304 A L H << S+ 0 0 6 -4,-1.0 -2,-0.2 -3,-0.6 -105,-0.1 0.851 117.5 43.3 -79.6 -36.2 93.7 43.5 48.9 261 305 A I H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 5,-0.3 0.810 98.4 81.1 -72.6 -30.3 91.7 46.3 50.6 262 306 A A H X S+ 0 0 36 -4,-0.6 4,-1.1 -5,-0.4 5,-0.2 0.841 98.7 32.2 -46.5 -56.0 89.9 47.0 47.4 263 307 A A H X>S+ 0 0 10 -4,-0.6 4,-3.5 2,-0.2 5,-0.6 0.973 116.7 53.3 -71.5 -56.3 87.2 44.3 47.6 264 308 A P H 4>S+ 0 0 4 0, 0.0 5,-0.6 0, 0.0 4,-0.4 0.893 109.9 50.1 -43.3 -54.4 86.7 44.1 51.4 265 309 A D H X5S+ 0 0 25 -4,-2.4 4,-0.6 1,-0.2 -2,-0.2 0.931 126.5 20.2 -43.7 -56.1 86.1 47.8 51.7 266 310 A T H X5S+ 0 0 63 -4,-1.1 4,-1.0 -5,-0.3 -1,-0.2 0.761 121.8 49.1-101.3 -35.3 83.5 48.1 49.0 267 311 A M H >X5S+ 0 0 10 -4,-3.5 4,-2.9 -5,-0.2 3,-0.8 0.988 108.5 49.3 -77.1 -61.6 82.0 44.7 48.4 268 312 A S H 3>X S+ 0 0 1 -4,-1.7 4,-2.5 1,-0.2 3,-1.6 0.975 106.0 54.9 -68.0 -52.7 71.6 43.7 49.7 275 319 A L H 3X S+ 0 0 0 -4,-2.5 4,-1.3 1,-0.3 -2,-0.2 0.711 110.1 48.4 -54.6 -22.8 71.2 41.1 52.4 276 320 A F H 3X S+ 0 0 1 -4,-1.4 4,-1.6 2,-0.2 -1,-0.3 0.689 109.8 51.3 -87.7 -24.3 69.0 43.6 54.3 277 321 A L H < S+ 0 0 0 -4,-2.5 3,-1.6 2,-0.2 7,-0.3 0.969 108.7 49.5 -62.4 -54.7 66.3 40.8 50.6 279 323 A A H 3< S+ 0 0 18 -4,-1.3 -2,-0.2 1,-0.3 -1,-0.1 0.950 112.8 46.6 -49.0 -57.6 65.0 40.2 54.1 280 324 A K H 3< S+ 0 0 83 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.518 108.2 62.7 -66.1 -5.9 62.7 43.3 54.0 281 325 A H S+ 0 0 84 0, 0.0 4,-0.6 0, 0.0 -1,-0.1 0.831 78.8 41.5 -70.8 -42.4 59.6 38.9 50.7 283 327 A N H > S+ 0 0 96 2,-0.2 4,-2.0 1,-0.2 3,-0.2 0.792 108.7 59.1 -77.8 -35.7 58.5 38.4 47.0 284 328 A V H > S+ 0 0 23 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.950 103.6 53.3 -56.9 -48.7 61.7 39.7 45.5 285 329 A E H X S+ 0 0 13 -4,-1.5 4,-1.4 -7,-0.3 -1,-0.2 0.766 106.2 53.5 -61.7 -28.1 63.6 36.9 47.4 286 330 A E H >X S+ 0 0 118 -4,-0.6 4,-2.9 2,-0.2 3,-0.6 0.965 103.9 54.1 -67.5 -53.1 61.3 34.3 45.9 287 331 A A H 3X S+ 0 0 43 -4,-2.0 4,-2.3 1,-0.3 -2,-0.2 0.797 108.5 51.9 -50.5 -33.7 61.9 35.4 42.3 288 332 A I H 3X S+ 0 0 1 -4,-1.4 4,-1.5 2,-0.2 -1,-0.3 0.836 110.5 45.1 -75.8 -37.1 65.6 35.0 43.0 289 333 A I H S+ 0 0 8 -4,-1.5 4,-2.7 2,-0.2 5,-1.3 0.975 111.1 47.0 -68.2 -55.3 68.3 29.9 41.0 293 337 A Q H X5S+ 0 0 113 -4,-3.7 4,-0.6 3,-0.2 -2,-0.2 0.901 114.2 50.5 -50.6 -48.6 66.3 26.6 41.0 294 338 A T H <5S+ 0 0 115 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.945 119.1 31.9 -54.4 -58.6 65.6 27.0 37.2 295 339 A V H <5S+ 0 0 25 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.758 141.7 4.9 -79.4 -25.0 69.2 27.7 36.0 296 340 A I H ><5 - 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