==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 04-FEB-94 1RAL . COMPND 2 MOLECULE: 3-ALPHA-HYDROXYSTEROID DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR S.S.HOOG,J.E.PAWLOWSKI,P.M.ALZARI,T.M.PENNING,M.LEWIS . 308 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15372.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 207 67.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 10.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 3.6 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 . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 34 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 15.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 72 23.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 1 0 3 1 1 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 6 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 PARALLEL BRIDGES PER LADDER . 3 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 ANTIPARALLEL BRIDGES PER LADDER . 2 1 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 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 1 A M 0 0 169 0, 0.0 262,-0.0 0, 0.0 206,-0.0 0.000 360.0 360.0 360.0 139.7 25.6 35.5 0.9 2 2 A D + 0 0 99 1,-0.1 2,-0.2 2,-0.0 260,-0.1 -0.014 360.0 156.8 -77.9 136.2 26.0 39.1 0.4 3 3 A S + 0 0 23 258,-0.5 3,-0.1 259,-0.1 259,-0.1 -0.137 26.3 118.3-108.8-156.7 24.2 41.7 2.1 4 4 A I + 0 0 47 1,-0.4 2,-0.2 -2,-0.2 258,-0.1 -0.202 61.9 99.1 104.2 -24.5 25.1 45.5 2.8 5 5 A S S S- 0 0 96 2,-0.1 -1,-0.4 1,-0.1 13,-0.2 -0.627 90.9 -97.0 -82.9 159.8 22.0 46.9 0.8 6 6 A L S S+ 0 0 115 -2,-0.2 12,-2.3 11,-0.1 13,-0.3 0.691 94.4 34.0 -46.7 -50.4 18.9 48.0 2.6 7 7 A R E -A 17 0A 100 10,-0.3 2,-0.3 11,-0.1 -2,-0.1 -0.755 58.7-163.9-124.5 162.7 16.5 44.9 2.3 8 8 A V E -A 16 0A 32 8,-2.7 8,-1.8 -2,-0.2 -5,-0.0 -0.983 27.7-100.7-149.0 146.5 16.6 41.0 2.2 9 9 A A E -A 15 0A 61 -2,-0.3 2,-0.4 6,-0.2 6,-0.2 -0.289 33.6-174.2 -56.9 140.2 14.6 37.8 1.4 10 10 A L E >> -A 14 0A 1 4,-0.7 4,-1.8 201,-0.0 3,-1.1 -0.942 41.0 -99.0-149.6 114.5 13.1 36.0 4.3 11 11 A N T 34 S+ 0 0 51 199,-0.4 176,-0.1 -2,-0.4 4,-0.0 0.328 117.9 61.0 17.3 -64.0 11.3 32.7 3.8 12 12 A D T 34 S- 0 0 57 173,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.221 119.9-104.1 -71.3 6.6 7.9 33.9 3.7 13 13 A G T <4 S+ 0 0 59 -3,-1.1 2,-0.3 1,-0.3 -2,-0.2 0.713 87.7 127.4 68.6 23.0 8.7 36.1 0.6 14 14 A N E < -A 10 0A 38 -4,-1.8 -4,-0.7 -6,-0.0 2,-0.5 -0.814 56.8-128.3-110.8 148.3 8.7 39.0 3.1 15 15 A F E -A 9 0A 117 -2,-0.3 -6,-0.2 -6,-0.2 -5,-0.0 -0.908 14.5-159.6-115.7 123.2 11.7 41.4 3.3 16 16 A I E -A 8 0A 1 -8,-1.8 -8,-2.7 -2,-0.5 2,-0.2 -0.658 28.8-112.5 -90.6 141.5 13.7 42.4 6.4 17 17 A P E -A 7 0A 6 0, 0.0 -10,-0.3 0, 0.0 -11,-0.1 -0.567 30.8-129.2 -61.3 147.1 15.9 45.6 6.5 18 18 A V S S+ 0 0 3 -12,-2.3 2,-0.4 -13,-0.2 -11,-0.1 0.665 87.4 43.8 -83.3 -24.2 19.6 44.4 6.8 19 19 A L S S- 0 0 22 -13,-0.3 29,-0.4 247,-0.2 28,-0.3 -0.994 75.8-174.1-126.1 127.1 20.9 46.4 9.8 20 20 A G E -b 268 0B 0 247,-3.7 249,-2.7 -2,-0.4 2,-0.3 -0.741 19.0-130.4-124.2 172.8 18.7 46.7 12.9 21 21 A F E -bc 269 49B 2 27,-1.5 29,-1.1 247,-0.3 249,-0.2 -0.850 16.2-152.6-121.3 150.1 18.4 48.4 16.2 22 22 A G E - c 0 50B 8 247,-2.6 249,-0.3 -2,-0.3 2,-0.3 -0.771 3.8-147.7-121.3 165.6 17.7 47.0 19.8 23 23 A T + 0 0 2 27,-1.0 2,-0.2 -2,-0.2 29,-0.1 -0.997 38.0 102.2-136.9 127.9 16.1 48.5 23.0 24 24 A T + 0 0 46 -2,-0.3 10,-0.0 1,-0.2 32,-0.0 -0.848 61.8 5.6-171.4-156.0 16.8 47.7 26.9 25 25 A V S S- 0 0 84 -2,-0.2 -1,-0.2 1,-0.1 2,-0.1 -0.040 76.9-154.2 -43.8 143.1 18.5 48.7 30.3 26 26 A P - 0 0 53 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.195 14.4 -66.0-120.6-159.0 20.1 52.2 29.9 27 27 A E > - 0 0 54 4,-0.2 4,-0.8 2,-0.2 0, 0.0 -0.798 33.1-141.4 -97.7 133.3 22.4 55.2 30.5 28 28 A K T 4 S+ 0 0 179 -2,-0.4 -1,-0.1 2,-0.1 4,-0.1 0.966 89.8 72.5 -55.5 -59.7 22.1 56.9 33.9 29 29 A V T 4 S+ 0 0 109 1,-0.3 2,-1.1 2,-0.1 -2,-0.2 -0.384 119.8 3.4 -60.4 132.7 22.6 60.3 32.3 30 30 A A T 4 S- 0 0 96 2,-0.1 -1,-0.3 -2,-0.1 3,-0.2 -0.208 101.6-166.4 69.5 -34.0 19.4 61.2 30.4 31 31 A K < - 0 0 132 -2,-1.1 2,-1.4 -4,-0.8 -4,-0.2 -0.073 44.5 -8.8 55.9-154.3 17.8 57.9 31.8 32 32 A D S S+ 0 0 88 1,-0.2 3,-0.2 -4,-0.1 -1,-0.2 -0.245 81.9 114.3 -89.7 58.3 14.5 56.1 30.4 33 33 A E > + 0 0 119 -2,-1.4 3,-2.1 -3,-0.2 4,-0.5 -0.432 38.1 161.0-107.3 49.8 12.9 58.6 28.1 34 34 A V T >> + 0 0 4 1,-0.3 4,-2.5 2,-0.2 3,-0.7 0.754 57.2 78.3 -52.5 -33.6 13.6 55.8 25.3 35 35 A I H 3> S+ 0 0 34 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.853 93.2 52.3 -34.9 -42.0 11.1 57.4 22.9 36 36 A K H <> S+ 0 0 109 -3,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.882 108.1 48.6 -69.9 -41.6 13.7 60.1 22.2 37 37 A A H <4 S+ 0 0 10 -3,-0.7 -1,-0.2 -4,-0.5 -2,-0.2 0.826 110.8 49.4 -70.2 -40.9 16.4 57.5 21.3 38 38 A T H >X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 3,-1.2 0.845 108.1 57.7 -68.3 -29.7 14.1 55.6 19.0 39 39 A K H 3X S+ 0 0 44 -4,-1.9 4,-1.7 -5,-0.3 -2,-0.3 0.969 102.3 51.1 -67.3 -45.2 13.3 59.0 17.5 40 40 A I H 3< S+ 0 0 62 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.401 110.9 56.0 -71.3 16.4 17.1 59.6 16.6 41 41 A A H X4>S+ 0 0 0 -3,-1.2 3,-1.9 -5,-0.1 5,-1.2 0.809 109.6 35.7-108.1 -62.2 16.8 56.1 15.0 42 42 A I H ><5S+ 0 0 2 -4,-1.9 3,-1.1 1,-0.3 -2,-0.1 0.790 107.6 67.9 -68.9 -19.8 13.9 56.4 12.4 43 43 A D T 3<5S+ 0 0 96 -4,-1.7 -1,-0.3 -5,-0.3 -3,-0.1 0.586 104.1 48.2 -72.5 2.9 14.9 60.0 11.7 44 44 A N T < 5S- 0 0 72 -3,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.408 129.3 -87.0-119.3 -0.8 18.0 58.3 10.2 45 45 A G T < 5S+ 0 0 42 -3,-1.1 2,-0.2 1,-0.3 -3,-0.2 -0.051 79.9 143.5 115.2 -27.3 16.6 55.5 8.0 46 46 A F < + 0 0 11 -5,-1.2 -1,-0.3 1,-0.2 -2,-0.2 -0.323 10.4 153.8 -60.1 110.6 16.4 53.0 10.9 47 47 A R + 0 0 58 -28,-0.3 33,-2.4 -2,-0.2 2,-0.5 0.494 46.3 71.6-116.6 -21.1 13.3 51.1 10.2 48 48 A H E - d 0 80B 1 -29,-0.4 -27,-1.5 31,-0.2 2,-0.3 -0.934 60.5-179.9-105.5 126.6 13.6 47.7 11.8 49 49 A F E -cd 21 81B 0 31,-2.1 33,-2.6 -2,-0.5 2,-0.4 -0.845 15.3-147.8-126.6 153.3 13.5 47.6 15.6 50 50 A D E +cd 22 82B 5 -29,-1.1 -27,-1.0 -2,-0.3 2,-0.2 -0.966 27.8 148.2-131.3 124.1 13.7 44.8 18.1 51 51 A S - 0 0 0 31,-2.6 2,-0.3 -2,-0.4 5,-0.1 -0.707 22.9-148.9-138.4 178.8 12.0 44.6 21.4 52 52 A A - 0 0 0 3,-0.3 6,-0.4 31,-0.2 5,-0.3 -0.952 30.7-115.1-150.5 164.7 10.5 42.0 23.9 53 53 A Y S > S+ 0 0 24 31,-0.8 3,-0.8 -2,-0.3 -1,-0.1 0.930 114.1 53.3 -60.4 -52.5 7.8 41.5 26.5 54 54 A L T 3 S+ 0 0 39 1,-0.3 2,-2.1 30,-0.1 -1,-0.1 0.960 113.4 35.9 -55.1 -73.7 10.5 41.1 29.1 55 55 A Y T 3 S- 0 0 55 -32,-0.1 -3,-0.3 -30,-0.0 -1,-0.3 -0.339 96.6-160.0 -84.1 58.4 12.6 44.3 28.7 56 56 A E < + 0 0 121 -2,-2.1 -3,-0.1 -3,-0.8 -2,-0.1 -0.077 45.5 139.1 -50.7 124.6 9.4 46.1 27.9 57 57 A V >> + 0 0 6 -5,-0.3 3,-2.5 -34,-0.0 4,-0.9 0.235 46.4 106.4-129.4 -36.2 10.0 49.3 26.0 58 58 A E H >> S+ 0 0 7 -6,-0.4 4,-3.6 1,-0.3 3,-1.0 0.575 73.2 52.0 -2.9 -76.4 6.9 48.6 23.8 59 59 A E H 3> S+ 0 0 160 1,-0.3 4,-0.7 2,-0.2 -1,-0.3 0.807 124.4 29.8 -41.5 -44.5 4.4 51.1 25.4 60 60 A E H <> S+ 0 0 56 -3,-2.5 4,-0.7 2,-0.2 -2,-0.3 0.403 124.3 46.5-103.8 -1.3 7.0 54.0 24.9 61 61 A V H X S+ 0 0 0 -4,-0.7 4,-1.5 1,-0.2 3,-1.2 0.897 114.4 46.2 -57.6 -36.9 7.8 57.0 19.0 65 65 A I H >X S+ 0 0 0 -4,-2.1 2,-1.6 1,-0.3 4,-1.6 0.992 111.4 54.5 -60.8 -50.6 7.1 54.8 15.8 66 66 A R H 3< S+ 0 0 69 -4,-3.2 -1,-0.3 1,-0.3 -2,-0.2 -0.074 106.6 51.7 -70.4 29.9 3.5 55.9 16.3 67 67 A S H <> S+ 0 0 7 -2,-1.6 4,-2.2 -3,-1.2 3,-0.4 0.324 102.8 54.7-130.9 -31.2 4.7 59.5 16.2 68 68 A K H S+ 0 0 11 -4,-1.5 5,-2.0 -3,-1.4 4,-1.6 0.840 99.3 63.3 -79.4 -17.9 6.7 59.3 12.9 69 69 A I H <5S+ 0 0 50 -4,-1.6 -1,-0.3 1,-0.2 6,-0.1 -0.368 109.5 43.3 -91.5 54.4 3.6 57.9 11.3 70 70 A E H 45S+ 0 0 136 -2,-1.1 -2,-0.3 -3,-0.4 -1,-0.2 0.110 106.6 55.7-164.4 -59.5 2.3 61.4 12.2 71 71 A D H <5S- 0 0 91 -4,-2.2 -2,-0.2 1,-0.1 -3,-0.1 0.806 113.1-114.5 -50.5 -34.5 5.4 63.6 11.2 72 72 A G T <5S+ 0 0 64 -4,-1.6 -3,-0.2 2,-0.2 -1,-0.1 0.787 89.1 111.8 96.3 39.4 5.1 62.2 7.8 73 73 A T S - 0 0 131 -2,-0.2 3,-3.0 -3,-0.1 4,-0.1 -0.889 43.2-111.7-143.0 105.0 4.3 55.0 6.4 76 76 A R G > S+ 0 0 42 1,-0.3 3,-2.9 -2,-0.3 -7,-0.0 0.440 113.4 64.6 -5.6 -53.4 3.8 51.5 8.2 77 77 A E G 3 S+ 0 0 146 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.787 99.4 59.9 -53.5 -30.7 4.9 49.2 5.3 78 78 A D G < S+ 0 0 52 -3,-3.0 2,-0.4 2,-0.0 -1,-0.3 0.137 94.5 78.5 -76.6 8.6 8.2 51.0 5.9 79 79 A I < - 0 0 1 -3,-2.9 2,-0.5 -4,-0.1 -31,-0.2 -0.999 56.0-171.1-134.9 131.7 8.4 49.8 9.7 80 80 A F E -d 48 0B 13 -33,-2.4 -31,-2.1 -2,-0.4 2,-0.4 -0.996 9.3-171.0-121.5 124.0 9.5 46.3 10.7 81 81 A Y E -d 49 0B 0 -2,-0.5 32,-1.7 -33,-0.2 31,-0.9 -0.977 10.3-161.8-127.4 119.0 9.1 45.4 14.4 82 82 A T E +de 50 113B 2 -33,-2.6 -31,-2.6 -2,-0.4 2,-0.3 -0.808 18.6 165.2 -97.7 140.1 10.4 42.3 16.3 83 83 A S E - e 0 114B 0 30,-0.8 32,-0.8 -2,-0.4 2,-0.3 -0.791 24.6-130.1-134.4 177.6 8.8 41.4 19.6 84 84 A K E - e 0 115B 0 -2,-0.3 -31,-0.8 30,-0.2 2,-0.3 -0.996 7.1-126.3-145.8 142.1 9.0 38.1 21.5 85 85 A L E - e 0 116B 0 30,-2.3 32,-1.3 -2,-0.3 2,-0.3 -0.646 41.7-121.7 -85.2 137.9 6.7 35.5 23.2 86 86 A W - 0 0 0 -2,-0.3 4,-0.2 9,-0.1 12,-0.1 -0.613 9.3-116.7 -97.9 145.5 7.8 35.0 26.7 87 87 A S S S+ 0 0 0 -2,-0.3 35,-1.1 2,-0.2 3,-0.4 0.650 115.6 48.8 -36.5 -38.5 8.9 31.8 28.6 88 88 A T S > S+ 0 0 0 33,-0.2 3,-0.9 1,-0.2 -1,-0.2 0.962 109.8 51.0 -71.1 -55.4 5.9 32.1 31.0 89 89 A F T 3 S+ 0 0 27 1,-0.2 -2,-0.2 34,-0.1 -1,-0.2 0.298 80.2 105.1 -61.9 6.4 3.4 32.5 28.2 90 90 A H T 3 + 0 0 2 -3,-0.4 -1,-0.2 32,-0.2 53,-0.2 0.639 44.7 109.7 -64.7 -22.1 4.8 29.5 26.4 91 91 A R S X> S- 0 0 24 -3,-0.9 3,-1.9 31,-0.2 4,-0.6 -0.492 74.4-129.8 -67.7 128.8 1.8 27.2 27.4 92 92 A P G >4 S+ 0 0 37 0, 0.0 3,-0.8 0, 0.0 4,-0.3 0.765 97.1 59.7 -57.7 -45.0 -0.0 26.7 24.0 93 93 A E G 34 S+ 0 0 118 1,-0.2 -2,-0.1 2,-0.1 -3,-0.1 0.573 115.9 38.4 -66.6 -7.1 -3.7 27.5 24.8 94 94 A L G X> S+ 0 0 31 -3,-1.9 3,-2.5 -5,-0.1 4,-0.5 0.547 75.6 110.0-120.8 -7.4 -2.5 31.0 25.7 95 95 A V H XX S+ 0 0 1 -3,-0.8 3,-2.1 -4,-0.6 4,-0.9 0.822 76.4 60.7 -31.2 -60.9 0.3 32.2 23.3 96 96 A R H 3> S+ 0 0 91 -4,-0.3 4,-3.0 1,-0.3 -1,-0.3 0.643 90.0 69.0 -51.7 -24.2 -1.8 34.8 21.6 97 97 A T H <> S+ 0 0 67 -3,-2.5 4,-3.7 2,-0.2 -1,-0.3 0.929 98.8 50.4 -58.6 -43.9 -2.4 36.7 24.8 98 98 A C H X S+ 0 0 0 -4,-0.9 4,-2.8 2,-0.2 3,-1.0 0.971 114.8 39.7 -63.5 -59.4 0.9 38.9 21.2 100 100 A E H 3X S+ 0 0 101 -4,-3.0 4,-3.2 1,-0.3 5,-0.4 0.925 114.8 52.1 -56.5 -49.3 -2.3 41.1 22.0 101 101 A K H 3X S+ 0 0 105 -4,-3.7 4,-0.8 1,-0.2 -1,-0.3 0.792 113.9 47.3 -50.8 -33.8 -0.6 42.2 25.3 102 102 A T H S+ 0 0 14 -4,-2.8 4,-1.3 2,-0.2 5,-0.7 0.919 111.9 49.4 -82.2 -37.8 0.1 44.8 20.2 104 104 A K H <5S+ 0 0 163 -4,-3.2 3,-0.4 1,-0.2 -1,-0.2 0.936 114.0 48.7 -60.1 -50.4 -2.3 47.0 22.5 105 105 A S H <5S+ 0 0 43 -4,-0.8 -1,-0.2 -5,-0.4 -2,-0.2 0.884 112.6 46.6 -61.0 -42.0 0.7 48.3 24.4 106 106 A T H <5S- 0 0 0 -4,-1.8 -40,-0.3 -44,-0.1 -1,-0.2 0.722 91.6-145.2 -72.5 -20.4 2.6 49.2 21.1 107 107 A Q T <5 + 0 0 143 -4,-1.3 2,-0.2 -3,-0.4 -3,-0.1 0.579 57.9 133.1 58.5 18.0 -0.5 50.9 19.5 108 108 A L S - 0 0 69 -2,-0.2 4,-1.6 -53,-0.2 5,-0.1 -0.954 4.8-141.5-119.6 142.3 6.6 21.6 24.1 144 144 A I H >> S+ 0 0 34 -2,-0.4 4,-2.4 2,-0.2 3,-0.9 0.958 105.9 48.6 -61.2 -54.6 8.8 23.5 21.7 145 145 A C H 3> S+ 0 0 4 1,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.799 112.1 53.9 -52.4 -30.1 6.9 22.1 18.5 146 146 A D H 3> S+ 0 0 52 2,-0.3 4,-2.8 1,-0.2 -1,-0.3 0.797 104.7 48.5 -79.4 -36.7 3.7 23.0 20.2 147 147 A T H << S+ 0 0 0 -4,-1.6 -2,-0.2 -3,-0.9 -1,-0.2 0.865 112.8 51.2 -72.0 -36.1 4.6 26.6 20.8 148 148 A W H >X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 3,-1.5 0.914 108.3 49.6 -65.6 -42.3 5.6 26.7 17.2 149 149 A E H 3X S+ 0 0 74 -4,-2.5 4,-1.6 1,-0.3 -2,-0.2 0.990 113.4 50.0 -52.3 -56.3 2.2 25.2 16.1 150 150 A A H 3< S+ 0 0 7 -4,-2.8 4,-0.3 1,-0.2 -1,-0.3 0.441 110.2 50.7 -64.5 -1.1 0.9 28.0 18.4 151 151 A M H X> S+ 0 0 0 -3,-1.5 4,-0.8 -4,-0.1 3,-0.7 0.846 106.2 50.5 -97.6 -53.5 3.0 30.6 16.6 152 152 A E H >X S+ 0 0 4 -4,-2.5 4,-2.2 1,-0.2 3,-1.2 0.873 100.8 65.7 -51.1 -42.6 2.1 29.8 13.0 153 153 A K H 3X S+ 0 0 87 -4,-1.6 4,-1.5 1,-0.3 -1,-0.2 0.889 98.1 53.8 -47.7 -48.8 -1.6 30.0 13.8 154 154 A C H <4>S+ 0 0 6 -3,-0.7 5,-1.8 -4,-0.3 6,-0.8 0.727 107.6 48.4 -63.0 -31.3 -1.2 33.7 14.6 155 155 A K H X<5S+ 0 0 58 -3,-1.2 3,-2.4 -4,-0.8 -1,-0.2 0.959 112.5 47.7 -70.7 -52.9 0.3 34.6 11.1 156 156 A D H 3<5S+ 0 0 94 -4,-2.2 -2,-0.3 1,-0.3 -1,-0.2 0.795 109.3 58.2 -53.3 -31.5 -2.4 32.7 9.5 157 157 A A T 3<5S- 0 0 67 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.206 112.1-122.0 -85.3 12.1 -4.6 34.8 11.9 158 158 A G T < 5S+ 0 0 33 -3,-2.4 3,-0.2 -5,-0.1 -3,-0.2 0.385 83.0 112.8 66.5 1.0 -3.2 38.1 10.5 159 159 A L S > - 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0 0 6 -3,-2.6 4,-1.8 -5,-0.1 5,-0.1 -0.281 63.1-114.6 -65.1 152.7 41.0 44.6 21.0 239 239 A P H > S+ 0 0 108 0, 0.0 4,-0.9 0, 0.0 3,-0.4 0.932 110.0 33.9 -44.8 -73.1 44.4 44.6 19.3 240 240 A V H >> S+ 0 0 54 1,-0.2 4,-2.2 2,-0.2 3,-1.3 0.932 118.4 54.5 -53.3 -57.7 43.6 43.4 15.6 241 241 A L H 3> S+ 0 0 1 1,-0.3 4,-1.1 2,-0.2 -1,-0.2 0.781 108.7 47.0 -54.0 -34.1 40.2 45.2 15.7 242 242 A C H 3< S+ 0 0 58 -4,-1.8 -1,-0.3 -3,-0.4 -2,-0.2 0.613 114.5 50.5 -88.2 -7.3 41.8 48.6 16.6 243 243 A A H XX S+ 0 0 54 -3,-1.3 4,-2.5 -4,-0.9 3,-0.9 0.938 109.8 43.9 -77.1 -67.1 44.5 48.0 13.9 244 244 A I H 3X S+ 0 0 12 -4,-2.2 4,-1.4 1,-0.3 2,-1.1 0.874 106.9 63.1 -54.5 -38.0 42.2 47.2 10.8 245 245 A A H 3<>S+ 0 0 5 -4,-1.1 5,-1.0 -5,-0.3 -1,-0.3 -0.172 109.7 39.1 -85.7 45.0 39.9 50.0 11.8 246 246 A K H <45S+ 0 0 159 -2,-1.1 3,-0.4 -3,-0.9 -2,-0.2 0.080 107.0 61.1-145.9 -44.8 42.9 52.4 11.2 247 247 A K H <5S+ 0 0 140 -4,-2.5 2,-0.3 1,-0.3 -2,-0.2 0.719 124.5 25.3 -51.2 -25.1 44.1 50.5 8.1 248 248 A Y T <5S- 0 0 51 -4,-1.4 -1,-0.3 -5,-0.3 2,-0.1 -0.896 123.3-105.7-134.9 105.0 40.5 51.6 7.0 249 249 A K T 5S+ 0 0 125 -3,-0.4 -3,-0.2 -2,-0.3 -4,-0.1 -0.263 76.4 58.6 -70.8 128.1 39.9 54.6 9.1 250 250 A Q S - 0 0 85 1,-0.1 2,-1.4 3,-0.1 3,-1.2 0.406 61.9 -85.9 -20.3 140.3 37.6 53.1 15.5 252 252 A P T 3> S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 -1,-0.1 0.193 106.6 81.7 -61.6 7.1 36.5 49.4 15.7 253 253 A A H 3> S+ 0 0 0 -2,-1.4 4,-2.1 2,-0.2 5,-0.1 0.952 95.2 49.1 -67.8 -49.4 32.7 49.7 16.0 254 254 A L H <> S+ 0 0 5 -3,-1.2 4,-2.8 1,-0.2 3,-0.4 0.925 112.0 47.2 -62.7 -45.3 32.2 50.1 12.3 255 255 A V H > S+ 0 0 6 -5,-0.4 4,-2.1 1,-0.2 5,-0.3 0.948 108.1 57.4 -63.6 -37.7 34.5 47.2 11.6 256 256 A A H X S+ 0 0 3 -4,-2.5 4,-0.8 1,-0.2 -2,-0.2 0.849 116.7 36.5 -56.1 -33.1 32.5 45.1 14.3 257 257 A L H >X S+ 0 0 0 -4,-2.1 4,-1.8 -3,-0.4 3,-0.8 0.975 112.6 58.0 -73.6 -69.3 29.4 45.9 12.2 258 258 A R H 3X S+ 0 0 5 -4,-2.8 4,-2.9 1,-0.3 5,-0.2 0.759 104.2 50.1 -35.8 -51.4 31.0 45.7 8.8 259 259 A Y H 3X S+ 0 0 0 -4,-2.1 4,-1.5 2,-0.2 -1,-0.3 0.938 112.4 45.4 -52.1 -57.7 32.3 42.1 9.1 260 260 A Q H XX>S+ 0 0 0 -3,-0.8 4,-1.4 -4,-0.8 3,-0.9 0.916 115.2 47.8 -62.4 -43.9 29.0 40.6 10.3 261 261 A L H 3<5S+ 0 0 0 -4,-1.8 -258,-0.5 1,-0.3 3,-0.3 0.871 111.4 51.8 -54.5 -48.5 27.1 42.5 7.6 262 262 A Q H 3<5S+ 0 0 39 -4,-2.9 -1,-0.3 -5,-0.3 -2,-0.2 0.638 104.0 56.2 -65.6 -26.6 29.6 41.4 5.1 263 263 A R H <<5S- 0 0 20 -4,-1.5 -1,-0.2 -3,-0.9 -2,-0.2 0.781 124.4-104.6 -75.7 -27.7 29.2 37.7 6.2 264 264 A G T <5S+ 0 0 16 -4,-1.4 2,-0.3 1,-0.3 -51,-0.2 0.871 75.4 135.9 98.2 58.9 25.4 38.1 5.4 265 265 A V < - 0 0 2 -5,-0.7 -1,-0.3 -4,-0.2 -51,-0.2 -0.939 55.1-125.4-132.9 143.4 24.0 38.4 8.9 266 266 A V E -m 214 0H 4 -53,-1.8 -51,-1.7 -2,-0.3 -247,-0.2 -0.783 34.8-157.5-103.2 96.1 21.4 40.9 10.1 267 267 A P E -m 215 0H 0 0, 0.0 -247,-3.7 0, 0.0 2,-0.4 -0.408 11.5-143.0 -76.0 155.8 22.8 42.8 13.1 268 268 A L E -b 20 0B 12 -53,-2.2 -50,-0.5 -249,-0.2 2,-0.4 -0.970 12.9-165.7-115.6 123.0 21.2 44.7 15.9 269 269 A I E -b 21 0B 4 -249,-2.7 -247,-2.6 -2,-0.4 2,-0.3 -0.865 2.5-162.0-101.8 138.3 22.8 47.8 17.3 270 270 A R + 0 0 96 -2,-0.4 2,-0.3 -249,-0.2 -247,-0.1 -0.735 27.6 136.7-105.0 175.4 21.7 49.2 20.7 271 271 A S - 0 0 12 -249,-0.3 3,-0.1 -2,-0.3 -234,-0.1 -0.865 34.5-172.0 176.2-168.2 22.5 52.9 21.6 272 272 A F S S+ 0 0 32 1,-0.4 2,-0.3 -2,-0.3 -232,-0.1 -0.278 70.6 92.9-176.9 -44.2 20.8 55.9 23.2 273 273 A N S > S- 0 0 92 1,-0.2 4,-0.8 2,-0.0 -1,-0.4 -0.546 72.8-144.6 -64.6 121.6 23.7 58.3 22.4 274 274 A A H >> S+ 0 0 32 -2,-0.3 3,-2.8 1,-0.2 4,-1.6 0.977 94.5 64.4 -41.8 -62.1 23.0 59.9 19.1 275 275 A K H 3> S+ 0 0 154 1,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.731 103.3 42.1 -37.0 -47.5 26.7 59.9 18.4 276 276 A R H 34 S+ 0 0 84 -3,-0.4 4,-0.5 1,-0.2 -1,-0.3 0.633 110.4 55.8 -89.1 -7.1 27.2 56.1 18.3 277 277 A I H << S+ 0 0 3 -3,-2.8 -1,-0.2 -4,-0.8 -2,-0.2 0.771 110.0 50.6 -85.1 -23.9 24.0 55.5 16.3 278 278 A K H >X S+ 0 0 91 -4,-1.6 3,-0.9 2,-0.2 4,-0.7 0.773 101.5 55.9 -83.4 -35.5 25.5 58.0 13.6 279 279 A E G >< S+ 0 0 47 -4,-1.4 3,-0.6 1,-0.2 4,-0.2 0.857 105.7 60.2 -62.4 -29.9 28.9 56.4 13.2 280 280 A L G >4 S+ 0 0 0 -4,-0.5 3,-0.8 1,-0.2 -1,-0.2 0.619 88.6 63.2 -78.3 -11.9 26.9 53.3 12.4 281 281 A T G X4 S+ 0 0 48 -3,-0.9 3,-0.8 1,-0.2 -1,-0.2 0.816 96.3 65.8 -77.6 -20.5 25.0 54.8 9.4 282 282 A Q G X< + 0 0 84 -4,-0.7 3,-3.1 -3,-0.6 -1,-0.2 0.705 68.1 101.3 -64.4 -18.3 28.6 54.9 8.0 283 283 A V G < S+ 0 0 0 -3,-0.8 -1,-0.2 1,-0.3 -2,-0.1 0.429 83.2 49.9 -49.4 -4.7 28.8 51.1 8.0 284 284 A F G < S+ 0 0 80 -3,-0.8 -1,-0.3 1,-0.1 -2,-0.1 0.542 93.0 71.3-109.5 -13.6 28.1 51.2 4.2 285 285 A E S < S+ 0 0 120 -3,-3.1 2,-0.2 -4,-0.1 -2,-0.2 0.212 95.4 68.6 -80.2 14.7 30.8 53.8 3.3 286 286 A F - 0 0 28 -4,-0.2 2,-0.3 -3,-0.1 -38,-0.0 -0.537 65.8-153.4-124.6-171.8 33.6 51.1 4.0 287 287 A Q - 0 0 155 -2,-0.2 2,-0.4 2,-0.0 -2,-0.0 -0.913 8.7-136.8-159.2 167.1 34.7 47.9 2.3 288 288 A L - 0 0 30 -2,-0.3 2,-0.3 -30,-0.1 -2,-0.0 -0.945 8.6-146.1-144.5 119.5 36.4 44.6 3.5 289 289 A A > - 0 0 44 -2,-0.4 4,-3.0 1,-0.1 3,-0.3 -0.611 24.7-121.3 -81.6 147.4 39.3 42.7 1.8 290 290 A S H > S+ 0 0 101 -2,-0.3 4,-2.5 1,-0.2 -1,-0.1 0.726 111.1 56.3 -59.7 -29.9 39.2 38.9 2.1 291 291 A E H > S+ 0 0 124 2,-0.2 4,-1.5 3,-0.1 -1,-0.2 0.956 114.3 42.2 -65.6 -46.4 42.7 38.6 3.7 292 292 A D H > S+ 0 0 12 -3,-0.3 4,-1.1 2,-0.3 3,-0.3 0.913 107.4 58.3 -67.2 -51.7 41.3 41.0 6.3 293 293 A M H >X S+ 0 0 44 -4,-3.0 4,-3.7 1,-0.3 3,-2.1 0.944 111.2 44.7 -41.1 -55.6 38.0 39.2 6.6 294 294 A K H 3< S+ 0 0 136 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.3 0.832 108.3 55.4 -67.1 -25.3 40.1 36.1 7.5 295 295 A A H 3< S+ 0 0 47 -4,-1.5 -1,-0.3 -3,-0.3 4,-0.2 0.548 118.4 37.5 -75.0 -11.8 42.2 38.2 9.9 296 296 A L H X< S+ 0 0 0 -3,-2.1 2,-1.3 -4,-1.1 3,-0.9 0.735 105.2 64.4-102.8 -37.6 38.8 39.1 11.4 297 297 A D T 3< S+ 0 0 38 -4,-3.7 -3,-0.1 -5,-0.2 -2,-0.1 -0.064 102.5 59.3 -83.7 44.4 37.3 35.6 11.0 298 298 A G T 3 S+ 0 0 51 -2,-1.3 -1,-0.2 -5,-0.1 -2,-0.1 0.571 75.1 85.0-138.5 -43.6 40.1 34.7 13.4 299 299 A L < + 0 0 15 -3,-0.9 -103,-0.1 -4,-0.2 -2,-0.1 0.680 62.8 123.7 -43.7 -40.6 39.5 36.8 16.7 300 300 A N + 0 0 58 -105,-0.5 -104,-0.2 -4,-0.4 -103,-0.2 0.190 31.4 171.7 -23.4 131.9 37.0 34.3 18.2 301 301 A R - 0 0 138 -105,-1.7 -104,-0.2 2,-0.1 -1,-0.1 0.804 49.5-120.8 -95.3 -63.0 37.4 32.8 21.7 302 302 A N + 0 0 113 -106,-2.0 2,-0.8 1,-0.1 -105,-0.2 0.221 61.6 148.4 123.6 21.2 34.0 31.2 21.8 303 303 A F - 0 0 72 -107,-0.9 2,-0.9 1,-0.0 -1,-0.1 -0.697 43.8-143.8 -86.1 116.2 33.1 33.2 25.0 304 304 A R - 0 0 120 -2,-0.8 -107,-0.0 1,-0.2 -111,-0.0 -0.645 7.3-160.0 -70.4 103.6 29.5 33.9 25.2 305 305 A Y S S+ 0 0 22 -2,-0.9 2,-0.4 -108,-0.1 -1,-0.2 0.696 81.7 52.3 -62.7 -21.7 29.5 37.4 26.8 306 306 A N S S- 0 0 27 -114,-0.0 2,-0.4 -78,-0.0 -114,-0.1 -0.929 80.3-167.5-109.2 141.0 25.8 36.8 27.7 307 307 A N 0 0 89 -2,-0.4 -2,-0.0 1,-0.2 0, 0.0 -0.961 360.0 360.0-138.5 153.5 24.9 33.6 29.6 308 308 A A 0 0 152 -2,-0.4 -1,-0.2 0, 0.0 0, 0.0 0.902 360.0 360.0 -77.0 360.0 22.0 31.6 30.6