==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 07-AUG-12 4B5N . COMPND 2 MOLECULE: OXIDOREDUCTASE, FMN-BINDING; . SOURCE 2 ORGANISM_SCIENTIFIC: SHEWANELLA ONEIDENSIS MR-1; . AUTHOR J.ELEGHEERT,A.BRIGE,S.N.SAVVIDES . 354 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13867.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 223 63.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 41 11.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 18 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 90 25.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.0 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 2 0 2 1 0 0 0 0 1 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 4 1 2 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 0 0 0 0 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 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 2 A T > 0 0 88 0, 0.0 3,-0.8 0, 0.0 310,-0.0 0.000 360.0 360.0 360.0 148.6 29.9 -19.2 4.2 2 3 A I T 3 + 0 0 43 1,-0.2 308,-0.2 308,-0.0 309,-0.1 0.858 360.0 61.3 -64.9 -36.9 30.7 -15.8 5.6 3 4 A E T 3 S+ 0 0 156 1,-0.2 2,-1.9 307,-0.1 -1,-0.2 0.734 85.2 80.1 -65.8 -22.6 33.8 -17.1 7.5 4 5 A N S < S- 0 0 97 -3,-0.8 -1,-0.2 303,-0.1 -2,-0.0 -0.453 75.5-175.8 -84.2 68.1 35.4 -18.2 4.2 5 6 A T - 0 0 65 -2,-1.9 2,-0.2 1,-0.1 302,-0.1 -0.161 11.2-146.8 -69.2 157.0 36.6 -14.7 3.4 6 7 A V - 0 0 76 300,-0.2 304,-0.1 2,-0.2 -1,-0.1 -0.685 27.4-100.1-121.5 173.7 38.3 -13.9 0.2 7 8 A N S S+ 0 0 177 -2,-0.2 2,-0.3 2,-0.0 -2,-0.0 0.079 97.6 58.1 -90.8 27.9 41.1 -11.4 -0.8 8 9 A S - 0 0 64 298,-0.1 -2,-0.2 1,-0.0 3,-0.1 -0.973 43.7-178.3-154.0 138.9 38.8 -8.7 -2.3 9 10 A V > + 0 0 20 -2,-0.3 3,-1.9 327,-0.1 4,-0.3 -0.131 40.0 135.5-124.8 34.8 36.0 -6.6 -0.9 10 11 A E G > + 0 0 145 1,-0.3 3,-2.1 2,-0.2 4,-0.1 0.796 61.4 67.8 -53.5 -36.0 35.4 -4.8 -4.2 11 12 A N G > S+ 0 0 29 1,-0.3 3,-1.4 2,-0.2 -1,-0.3 0.751 86.2 68.6 -63.7 -20.8 31.6 -5.2 -3.9 12 13 A L G < S+ 0 0 1 -3,-1.9 15,-2.8 1,-0.2 16,-0.4 0.718 98.1 53.8 -65.8 -18.5 31.6 -2.9 -0.9 13 14 A F G < S+ 0 0 50 -3,-2.1 -1,-0.2 -4,-0.3 -2,-0.2 0.313 81.4 121.0-101.6 7.0 32.5 -0.1 -3.3 14 15 A D S < S- 0 0 60 -3,-1.4 2,-0.1 -4,-0.1 10,-0.0 -0.433 71.8-111.1 -63.5 139.5 29.6 -0.8 -5.7 15 16 A T - 0 0 100 -2,-0.1 2,-0.5 11,-0.1 10,-0.2 -0.488 34.6-156.1 -61.4 141.9 27.2 2.1 -6.3 16 17 A Y E -A 24 0A 37 8,-2.5 8,-3.2 10,-0.2 2,-0.8 -0.944 8.2-150.7-133.3 112.5 23.8 1.2 -4.7 17 18 A K E -A 23 0A 126 -2,-0.5 6,-0.2 6,-0.3 3,-0.1 -0.712 12.0-176.9 -80.3 110.8 20.6 2.8 -5.8 18 19 A L - 0 0 16 4,-1.8 2,-0.3 -2,-0.8 -1,-0.2 0.890 65.0 -47.0 -68.7 -40.4 18.2 2.9 -2.8 19 20 A N S S- 0 0 19 3,-1.6 -1,-0.3 -3,-0.1 3,-0.1 -0.927 75.8 -62.1-177.0-174.9 15.4 4.3 -4.9 20 21 A D S S+ 0 0 143 -2,-0.3 3,-0.1 1,-0.2 -3,-0.0 0.665 130.3 45.6 -68.7 -14.0 14.7 7.0 -7.5 21 22 A T S S+ 0 0 69 1,-0.2 2,-0.4 207,-0.0 -1,-0.2 0.805 114.6 37.7 -96.3 -34.9 15.6 9.7 -5.0 22 23 A I - 0 0 6 206,-0.1 -4,-1.8 -3,-0.1 -3,-1.6 -0.973 50.4-179.9-133.2 126.9 18.9 8.5 -3.5 23 24 A T E -A 17 0A 55 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.3 -0.988 22.3-142.1-118.5 132.2 21.9 6.6 -4.9 24 25 A L E -A 16 0A 0 -8,-3.2 -8,-2.5 -2,-0.4 35,-0.1 -0.743 9.7-138.7 -93.3 142.1 24.8 5.7 -2.5 25 26 A K S S- 0 0 82 34,-0.4 2,-0.3 -2,-0.3 -1,-0.1 0.667 85.3 -0.0 -75.8 -16.7 28.4 5.9 -3.7 26 27 A N S S- 0 0 4 -10,-0.1 -13,-0.2 2,-0.1 -10,-0.2 -0.935 75.0-106.1-157.5 177.2 29.3 2.6 -1.9 27 28 A R S S+ 0 0 39 -15,-2.8 293,-2.5 -2,-0.3 2,-0.6 0.347 80.9 108.6 -93.7 5.7 27.6 0.0 0.3 28 29 A I E -b 320 0B 1 -16,-0.4 31,-1.7 291,-0.2 32,-1.3 -0.755 46.5-172.2 -95.6 121.1 29.2 1.1 3.6 29 30 A L E -bc 321 60B 0 291,-3.0 293,-2.6 -2,-0.6 2,-0.7 -0.846 26.6-127.3-103.9 142.7 27.1 2.8 6.2 30 31 A M E -bc 322 61B 1 30,-2.1 32,-2.3 -2,-0.4 293,-0.2 -0.842 37.1-130.3 -81.0 114.9 28.2 4.5 9.4 31 32 A A - 0 0 3 291,-2.4 2,-0.2 -2,-0.7 33,-0.1 -0.309 30.2 -90.2 -60.9 152.0 26.0 2.8 12.0 32 33 A P - 0 0 14 0, 0.0 2,-0.4 0, 0.0 32,-0.2 -0.490 50.6-176.6 -65.8 131.8 24.1 5.1 14.4 33 34 A L - 0 0 29 29,-0.3 31,-0.3 -2,-0.2 2,-0.2 -0.887 21.4-140.4-140.5 104.1 26.4 5.6 17.4 34 35 A T + 0 0 57 -2,-0.4 44,-0.1 1,-0.2 32,-0.1 -0.441 25.0 171.8 -59.8 126.0 25.3 7.6 20.5 35 36 A R - 0 0 12 -2,-0.2 -1,-0.2 42,-0.1 43,-0.1 0.543 33.8-136.3-116.6 -15.4 28.2 9.6 21.7 36 37 A C + 0 0 36 1,-0.1 42,-0.2 41,-0.1 -2,-0.1 0.889 66.4 121.7 59.9 44.3 26.7 11.9 24.5 37 38 A M + 0 0 57 40,-0.3 11,-0.2 5,-0.0 8,-0.2 0.276 30.5 116.7-121.5 4.4 28.5 14.9 23.2 38 39 A A - 0 0 5 39,-2.4 4,-0.0 38,-0.2 40,-0.0 -0.324 68.0 -97.9 -74.2 164.8 25.7 17.4 22.4 39 40 A D > - 0 0 59 4,-2.2 3,-2.4 1,-0.1 -1,-0.1 -0.003 41.9 -85.3 -79.3-177.0 25.5 20.7 24.3 40 41 A A T 3 S+ 0 0 96 1,-0.3 -1,-0.1 2,-0.1 37,-0.1 0.714 132.0 49.9 -63.8 -21.6 23.3 21.6 27.3 41 42 A N T 3 S- 0 0 117 2,-0.1 -1,-0.3 36,-0.1 39,-0.1 0.239 119.7-111.5 -96.1 9.3 20.5 22.5 24.9 42 43 A L S < S+ 0 0 20 -3,-2.4 38,-2.2 1,-0.3 -2,-0.1 0.738 70.7 146.3 61.4 30.7 20.9 19.2 23.1 43 44 A V - 0 0 16 36,-0.2 -4,-2.2 1,-0.1 -1,-0.3 -0.775 57.7-105.4 -94.0 133.9 22.2 21.1 20.1 44 45 A P - 0 0 2 0, 0.0 2,-0.1 0, 0.0 -6,-0.1 -0.349 41.0-135.7 -55.1 137.4 24.9 19.4 17.9 45 46 A T > - 0 0 33 -8,-0.2 4,-2.0 1,-0.1 3,-0.2 -0.425 20.7-107.1 -92.6 167.5 28.3 21.0 18.5 46 47 A D H > S+ 0 0 104 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.828 122.3 58.4 -64.2 -26.9 30.9 22.1 16.1 47 48 A D H > S+ 0 0 117 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.897 105.0 49.7 -67.3 -39.4 33.0 19.2 17.3 48 49 A M H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.891 106.6 56.3 -64.7 -38.1 30.1 16.9 16.2 49 50 A V H X S+ 0 0 21 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.950 110.6 43.8 -54.3 -50.4 30.1 18.7 12.8 50 51 A A H X S+ 0 0 36 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.871 110.5 56.4 -64.6 -38.4 33.8 17.8 12.4 51 52 A Y H < S+ 0 0 0 -4,-2.1 4,-0.3 1,-0.2 -1,-0.2 0.925 114.1 37.4 -59.7 -49.0 33.3 14.2 13.6 52 53 A Y H >< S+ 0 0 2 -4,-2.4 3,-1.8 1,-0.2 -2,-0.2 0.895 112.0 59.4 -71.9 -39.4 30.6 13.5 11.0 53 54 A A H >< S+ 0 0 13 -4,-2.5 3,-1.5 -5,-0.3 -2,-0.2 0.872 99.8 56.6 -60.0 -35.4 32.3 15.4 8.2 54 55 A R T 3< S+ 0 0 113 -4,-1.9 -1,-0.3 1,-0.3 3,-0.2 0.595 104.5 54.2 -77.3 -3.5 35.4 13.3 8.4 55 56 A R T X S+ 0 0 2 -3,-1.8 3,-2.2 -4,-0.3 -1,-0.3 0.221 70.5 114.5-108.9 16.1 33.4 10.2 7.8 56 57 A A T < + 0 0 3 -3,-1.5 -1,-0.1 1,-0.3 -2,-0.1 0.489 56.1 80.1 -71.2 -3.0 31.7 11.4 4.6 57 58 A E T 3 S+ 0 0 89 -3,-0.2 -1,-0.3 45,-0.1 -29,-0.2 0.659 72.9 102.2 -72.8 -14.0 33.5 8.8 2.5 58 59 A A S < S- 0 0 1 -3,-2.2 45,-0.5 1,-0.1 3,-0.2 -0.398 84.5-126.1 -61.5 144.3 30.7 6.4 3.8 59 60 A G S S- 0 0 1 -31,-1.7 -34,-0.4 1,-0.3 2,-0.3 0.873 94.2 -0.9 -56.2 -38.3 28.0 5.8 1.3 60 61 A L E -c 29 0B 1 -32,-1.3 -30,-2.1 -36,-0.1 2,-0.5 -0.942 67.7-146.6-153.8 132.8 25.5 6.9 4.0 61 62 A I E -cd 30 104B 0 42,-2.4 44,-2.8 -2,-0.3 2,-0.6 -0.887 7.6-156.3 -93.8 132.9 25.9 8.1 7.6 62 63 A I E - d 0 105B 1 -32,-2.3 -29,-0.3 -2,-0.5 44,-0.2 -0.960 25.9-131.3 -99.7 121.4 23.2 7.2 10.0 63 64 A S E - 0 0 0 42,-3.0 3,-0.1 -2,-0.6 -29,-0.1 -0.230 29.5 -82.6 -64.3 162.8 23.4 9.8 12.8 64 65 A E E - 0 0 1 -31,-0.3 43,-0.7 -32,-0.2 -1,-0.1 -0.227 69.2 -73.4 -48.4 150.5 23.4 9.0 16.5 65 66 A A E - d 0 107B 2 41,-0.1 2,-0.5 -3,-0.1 43,-0.2 -0.274 56.1-158.7 -55.2 132.4 20.0 8.5 17.9 66 67 A T E - d 0 108B 0 41,-2.7 43,-2.9 -3,-0.1 14,-0.3 -0.971 14.9-120.5-127.8 122.1 18.3 11.9 18.1 67 68 A I E -ed 80 109B 0 12,-2.4 14,-1.7 -2,-0.5 43,-0.2 -0.341 7.6-151.7 -74.1 145.4 15.4 12.6 20.5 68 69 A I S S- 0 0 4 41,-2.0 -1,-0.1 1,-0.2 42,-0.1 0.657 77.1 -8.9 -86.9 -17.9 12.1 13.7 19.2 69 70 A R S > S- 0 0 34 40,-0.3 3,-1.8 1,-0.1 -1,-0.2 -0.956 83.8 -84.6-170.2 168.8 11.0 15.6 22.4 70 71 A P G > S+ 0 0 67 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.830 118.1 58.2 -59.1 -40.2 12.2 16.1 26.0 71 72 A D G 3 S+ 0 0 28 1,-0.3 55,-0.4 44,-0.1 44,-0.1 0.456 93.4 72.2 -76.1 7.0 10.6 13.0 27.6 72 73 A A G < S+ 0 0 0 -3,-1.8 39,-0.8 38,-0.1 2,-0.4 0.508 73.0 112.1 -84.7 -12.7 12.5 10.8 25.1 73 74 A Q < + 0 0 15 -3,-1.9 43,-2.2 -4,-0.2 46,-0.3 -0.562 23.1 150.4 -79.1 128.3 15.8 11.5 26.9 74 75 A G + 0 0 0 -2,-0.4 -1,-0.1 41,-0.3 44,-0.1 0.426 63.5 43.0-125.8 -6.6 17.5 8.6 28.7 75 76 A Y S > S- 0 0 23 62,-0.1 3,-0.8 3,-0.0 -1,-0.2 -0.949 91.2 -88.5-140.8 156.7 21.2 9.5 28.5 76 77 A P T 3 S+ 0 0 29 0, 0.0 -38,-0.2 0, 0.0 -2,-0.0 -0.359 98.9 1.5 -70.4 144.1 23.2 12.7 28.9 77 78 A N T 3 S+ 0 0 71 1,-0.2 -39,-2.4 -40,-0.1 -40,-0.3 0.781 78.2 157.1 62.6 32.0 23.9 15.1 26.1 78 79 A T < - 0 0 1 -3,-0.8 -1,-0.2 -42,-0.2 -12,-0.1 -0.800 43.9-115.0 -89.2 126.7 22.0 13.2 23.4 79 80 A P - 0 0 0 0, 0.0 -12,-2.4 0, 0.0 2,-0.2 -0.176 28.0-154.5 -64.5 154.8 21.0 15.6 20.7 80 81 A G B -e 67 0B 0 -38,-2.2 -12,-0.2 -14,-0.3 -39,-0.0 -0.662 17.1-156.6-112.2 172.8 17.4 16.6 19.8 81 82 A I S S+ 0 0 0 -14,-1.7 88,-0.2 -2,-0.2 -13,-0.1 -0.128 71.4 90.4-144.2 47.1 15.6 17.8 16.7 82 83 A F S S+ 0 0 62 -15,-0.1 2,-0.3 87,-0.1 -14,-0.1 0.507 75.4 64.7-116.4 -10.0 12.6 19.5 18.2 83 84 A T S > S- 0 0 49 1,-0.1 4,-2.3 -14,-0.0 5,-0.2 -0.804 82.4-119.4-111.5 161.2 13.8 23.1 18.7 84 85 A Q H > S+ 0 0 123 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.890 115.6 54.1 -62.0 -39.5 14.9 25.7 16.1 85 86 A A H > S+ 0 0 56 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.884 107.8 50.1 -63.1 -39.1 18.4 25.8 17.7 86 87 A Q H > S+ 0 0 3 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.915 109.0 51.8 -63.8 -42.6 18.7 22.0 17.3 87 88 A I H X S+ 0 0 5 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.924 110.1 49.4 -57.7 -45.3 17.6 22.3 13.7 88 89 A A H X S+ 0 0 54 -4,-2.4 4,-1.4 2,-0.2 -1,-0.2 0.881 110.2 50.3 -63.9 -39.8 20.3 24.9 13.1 89 90 A G H X S+ 0 0 3 -4,-2.1 4,-1.4 1,-0.2 3,-0.3 0.934 111.5 47.7 -63.3 -46.7 23.0 22.8 14.7 90 91 A W H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 5,-0.3 0.853 103.8 61.9 -63.3 -33.2 22.1 19.8 12.6 91 92 A R H X S+ 0 0 111 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.880 101.4 53.0 -62.3 -33.7 22.1 22.0 9.5 92 93 A K H X S+ 0 0 90 -4,-1.4 4,-1.8 -3,-0.3 -1,-0.2 0.917 110.9 47.8 -64.4 -40.2 25.8 22.7 10.2 93 94 A V H X S+ 0 0 0 -4,-1.4 4,-2.5 2,-0.2 -2,-0.2 0.955 114.9 42.8 -62.3 -53.1 26.3 18.9 10.3 94 95 A T H X S+ 0 0 0 -4,-2.9 4,-2.8 79,-0.3 5,-0.2 0.907 112.4 53.1 -68.3 -36.3 24.5 18.0 7.2 95 96 A D H X S+ 0 0 81 -4,-2.6 4,-2.5 -5,-0.3 -1,-0.2 0.905 111.3 47.6 -61.0 -41.5 25.9 20.9 5.2 96 97 A A H X S+ 0 0 24 -4,-1.8 4,-1.3 -5,-0.2 -2,-0.2 0.913 112.4 48.2 -68.4 -41.4 29.5 19.8 6.2 97 98 A V H <>S+ 0 0 0 -4,-2.5 5,-2.7 2,-0.2 3,-0.4 0.944 114.5 46.0 -61.6 -47.7 28.8 16.1 5.3 98 99 A H H ><5S+ 0 0 66 -4,-2.8 3,-2.0 1,-0.2 -2,-0.2 0.905 108.7 54.9 -62.9 -41.8 27.3 17.2 1.9 99 100 A A H 3<5S+ 0 0 87 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.796 107.0 53.1 -63.0 -26.6 30.2 19.6 1.2 100 101 A N T 3<5S- 0 0 94 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.290 126.8-101.1 -89.0 7.9 32.5 16.6 1.7 101 102 A G T < 5S+ 0 0 43 -3,-2.0 -3,-0.2 1,-0.2 -2,-0.1 0.651 82.2 123.2 83.0 18.6 30.6 14.5 -0.8 102 103 A G < - 0 0 7 -5,-2.7 2,-0.3 -6,-0.2 -1,-0.2 -0.401 51.0-137.9-103.0-179.8 28.6 12.5 1.7 103 104 A K - 0 0 58 -45,-0.5 -42,-2.4 -2,-0.1 2,-0.4 -0.959 18.5-168.1-134.3 152.9 25.0 11.7 2.6 104 105 A I E -d 61 0B 0 -2,-0.3 72,-2.5 -44,-0.2 73,-0.7 -0.986 12.6-166.1-149.7 134.4 23.4 11.5 6.0 105 106 A F E -df 62 177B 0 -44,-2.8 -42,-3.0 -2,-0.4 2,-0.3 -0.909 24.6-129.8-108.5 144.8 20.1 10.3 7.6 106 107 A V E - f 0 178B 0 71,-2.1 73,-3.3 -2,-0.4 2,-0.6 -0.698 15.8-133.1 -82.9 148.3 19.1 11.2 11.2 107 108 A Q E -df 65 179B 4 -43,-0.7 -41,-2.7 -2,-0.3 2,-0.5 -0.920 20.7-143.8-100.3 117.8 18.0 8.4 13.5 108 109 A L E -df 66 180B 0 71,-2.3 73,-2.4 -2,-0.6 2,-0.4 -0.737 23.8-167.1 -91.6 127.9 14.8 9.5 15.2 109 110 A W E +d 67 0B 2 -43,-2.9 -41,-2.0 -2,-0.5 2,-0.4 -0.891 31.7 167.6-124.7 137.0 14.5 8.3 18.8 110 111 A H - 0 0 0 -2,-0.4 77,-2.6 71,-0.3 78,-0.4 -0.965 19.7-158.8-134.3 128.7 12.1 7.9 21.7 111 112 A T > - 0 0 0 -39,-0.8 3,-2.2 -2,-0.4 4,-0.1 0.580 19.2-173.3 -82.8 -12.1 13.5 5.8 24.6 112 113 A G G > S+ 0 0 0 1,-0.3 3,-2.1 2,-0.2 14,-0.4 -0.287 74.1 4.8 57.3-127.8 10.1 4.9 26.1 113 114 A R G 3 S+ 0 0 5 1,-0.3 20,-0.4 72,-0.1 -1,-0.3 0.559 127.7 66.1 -67.5 -7.0 10.6 3.1 29.4 114 115 A V G < S+ 0 0 0 -3,-2.2 -1,-0.3 12,-0.1 -2,-0.2 0.338 79.5 104.9 -96.2 3.3 14.4 3.6 29.1 115 116 A A < - 0 0 0 -3,-2.1 31,-0.4 11,-0.2 -41,-0.3 -0.345 62.8-143.1 -70.4 166.9 14.0 7.4 29.5 116 117 A H > - 0 0 18 -43,-2.2 3,-2.1 29,-0.1 4,-0.3 -0.974 11.0-140.1-139.2 128.0 14.9 8.9 32.9 117 118 A P G > >S+ 0 0 21 0, 0.0 5,-2.6 0, 0.0 3,-1.3 0.666 94.9 77.8 -59.7 -22.8 13.1 11.8 34.5 118 119 A H G > 5S+ 0 0 114 1,-0.2 3,-0.5 3,-0.2 -44,-0.1 0.841 95.1 50.6 -50.0 -36.0 16.4 13.4 35.7 119 120 A F G < 5S+ 0 0 35 -3,-2.1 -1,-0.2 -46,-0.3 -45,-0.1 0.578 115.9 37.7 -82.2 -12.6 16.8 14.7 32.1 120 121 A F G X 5S- 0 0 33 -3,-1.3 3,-1.2 -4,-0.3 -1,-0.2 -0.216 119.2 -85.3-140.4 46.1 13.3 16.3 31.7 121 122 A G T < 5S- 0 0 83 -3,-0.5 -3,-0.2 1,-0.3 -2,-0.1 0.735 83.8 -57.7 67.8 25.6 12.4 17.9 35.0 122 123 A G T 3 - 0 0 2 6,-2.5 3,-1.1 -2,-0.3 6,-0.3 -0.364 58.0-113.0 -61.0 129.4 21.3 4.7 33.7 138 139 A P T 3 S+ 0 0 67 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.312 92.5 11.4 -65.9 147.3 24.8 3.7 32.6 139 140 A R T 3 S+ 0 0 190 1,-0.2 2,-0.3 -64,-0.1 -2,-0.1 0.692 107.2 101.9 62.8 24.4 27.7 6.1 33.3 140 141 A M S < S- 0 0 54 -3,-1.1 2,-0.8 3,-0.1 3,-0.3 -0.950 82.1 -98.4-131.2 155.1 25.6 8.3 35.6 141 142 A R S S- 0 0 200 -2,-0.3 -4,-0.1 1,-0.2 0, 0.0 -0.632 85.2 -40.8 -77.7 107.7 25.4 8.5 39.3 142 143 A E S S+ 0 0 150 -2,-0.8 2,-0.9 1,-0.2 -1,-0.2 0.790 74.3 157.0 48.8 53.9 22.4 6.5 40.7 143 144 A L - 0 0 22 -6,-0.3 -6,-2.5 -3,-0.3 2,-0.2 -0.786 27.5-161.0-106.6 85.6 19.6 7.2 38.2 144 145 A T B -L 136 0D 89 -2,-0.9 -8,-0.3 -8,-0.3 -10,-0.1 -0.457 21.8-109.0 -73.4 136.5 17.4 4.2 38.8 145 146 A Y - 0 0 12 -10,-2.5 2,-0.3 -2,-0.2 -10,-0.1 -0.321 37.6-144.2 -61.8 149.4 14.9 3.3 36.1 146 147 A V - 0 0 48 -31,-0.4 -13,-0.4 -33,-0.3 -15,-0.1 -0.718 22.6 -91.5-117.5 162.0 11.3 4.0 37.1 147 148 A T - 0 0 90 -2,-0.3 -22,-0.3 -15,-0.1 -17,-0.1 -0.587 50.6-131.5 -70.5 124.2 8.0 2.3 36.4 148 149 A P - 0 0 4 0, 0.0 2,-0.5 0, 0.0 -22,-0.2 -0.339 11.6-112.8 -73.7 159.2 6.6 3.9 33.3 149 150 A K E -k 126 0C 77 -24,-3.2 -22,-1.8 -19,-0.1 2,-0.4 -0.812 34.9-117.6 -80.7 128.1 3.1 5.2 32.8 150 151 A A E -k 127 0C 44 -2,-0.5 -21,-0.1 -24,-0.2 -20,-0.1 -0.568 39.5-115.0 -64.6 121.5 1.2 3.1 30.3 151 152 A V - 0 0 3 -24,-2.7 2,-0.2 -2,-0.4 -1,-0.1 -0.274 22.9-133.8 -61.9 145.2 0.5 5.5 27.5 152 153 A T > - 0 0 53 1,-0.1 4,-2.3 -3,-0.0 5,-0.1 -0.477 30.1-103.5 -84.9 168.4 -3.1 6.4 26.7 153 154 A V H > S+ 0 0 43 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.872 126.2 53.6 -60.2 -34.0 -4.4 6.5 23.1 154 155 A E H > S+ 0 0 127 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.914 106.4 51.0 -69.1 -40.4 -4.2 10.3 23.3 155 156 A D H > S+ 0 0 38 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.920 109.6 51.9 -57.0 -44.1 -0.5 10.0 24.4 156 157 A I H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.924 107.1 51.3 -60.7 -46.2 0.0 7.7 21.4 157 158 A Q H X S+ 0 0 124 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.901 110.8 49.1 -57.8 -42.1 -1.5 10.2 19.0 158 159 A G H X S+ 0 0 8 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.872 109.7 51.8 -66.4 -34.7 0.8 12.9 20.4 159 160 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.923 109.8 48.3 -67.1 -43.2 3.8 10.7 20.0 160 161 A V H X S+ 0 0 22 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.946 111.9 50.9 -60.8 -46.1 2.9 10.0 16.3 161 162 A R H X S+ 0 0 145 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.887 111.2 48.2 -53.2 -46.2 2.5 13.7 15.8 162 163 A D H X S+ 0 0 31 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.848 108.8 52.0 -74.7 -31.2 5.9 14.4 17.4 163 164 A Y H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.922 113.2 46.7 -62.2 -44.4 7.7 11.7 15.3 164 165 A A H X S+ 0 0 1 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.894 111.9 49.2 -66.6 -41.8 6.1 13.3 12.2 165 166 A K H X S+ 0 0 95 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.918 110.1 52.2 -64.4 -41.0 7.1 16.9 13.3 166 167 A A H X S+ 0 0 1 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.923 107.2 52.5 -59.2 -42.0 10.6 15.7 14.0 167 168 A A H X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.904 108.5 50.7 -63.2 -39.7 10.8 14.2 10.5 168 169 A E H X S+ 0 0 87 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.918 110.4 49.5 -58.0 -44.5 9.7 17.6 9.1 169 170 A N H X S+ 0 0 9 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.855 104.2 59.7 -64.6 -35.3 12.4 19.3 11.1 170 171 A V H <>S+ 0 0 0 -4,-2.3 5,-2.1 2,-0.2 -1,-0.2 0.898 105.7 47.7 -60.6 -43.2 14.9 16.8 9.8 171 172 A I H ><5S+ 0 0 66 -4,-1.7 3,-1.8 1,-0.2 -1,-0.2 0.932 109.4 52.5 -67.0 -39.5 14.2 17.9 6.3 172 173 A E H 3<5S+ 0 0 92 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.862 105.8 56.5 -60.4 -34.8 14.5 21.6 7.3 173 174 A A T 3<5S- 0 0 0 -4,-2.1 -79,-0.3 -5,-0.1 -1,-0.3 0.388 121.2-110.8 -75.7 -1.7 18.0 20.6 8.9 174 175 A G T < 5 + 0 0 16 -3,-1.8 -3,-0.2 1,-0.2 -70,-0.1 0.605 61.8 153.9 83.6 15.1 19.1 19.3 5.4 175 176 A F < - 0 0 7 -5,-2.1 -1,-0.2 1,-0.1 -70,-0.2 -0.402 49.3-131.4 -68.7 154.3 19.2 15.6 6.1 176 177 A D S S- 0 0 26 -72,-2.5 2,-0.3 1,-0.2 -71,-0.2 0.703 76.7 -46.5 -73.3 -19.6 18.8 13.2 3.2 177 178 A G E -f 105 0B 0 -73,-0.7 -71,-2.1 -7,-0.1 2,-0.4 -0.986 59.8 -82.4 173.3-171.6 16.3 11.2 5.2 178 179 A V E -fg 106 230B 0 51,-2.9 53,-3.0 -2,-0.3 2,-0.6 -0.980 13.9-157.5-124.5 134.1 15.2 9.6 8.5 179 180 A E E -fg 107 231B 0 -73,-3.3 -71,-2.3 -2,-0.4 2,-0.4 -0.969 26.3-139.4-101.2 118.3 16.0 6.2 10.0 180 181 A I E -fg 108 232B 1 51,-2.8 53,-2.7 -2,-0.6 2,-1.6 -0.673 13.8-128.4 -76.5 127.3 13.2 5.5 12.5 181 182 A H E + g 0 233B 7 -73,-2.4 7,-0.6 -2,-0.4 -71,-0.3 -0.601 50.6 148.6 -81.6 88.9 14.7 3.9 15.7 182 183 A G E + g 0 234B 0 -2,-1.6 53,-0.7 51,-1.2 -1,-0.2 0.128 52.5 76.0 -99.9 19.1 12.5 0.9 16.0 183 184 A A > + 0 0 0 51,-0.3 3,-2.1 1,-0.1 6,-0.3 -0.429 63.5 43.9-122.1-178.8 15.2 -1.2 17.5 184 185 A N T 3 S- 0 0 16 1,-0.3 -1,-0.1 86,-0.3 54,-0.1 0.653 117.9 -61.2 55.3 32.1 17.2 -2.0 20.6 185 186 A G T 3 S+ 0 0 1 -3,-0.2 -1,-0.3 1,-0.2 -72,-0.1 0.572 97.1 135.1 77.9 10.2 14.5 -2.0 23.2 186 187 A Y S <> S- 0 0 16 -3,-2.1 4,-2.5 -74,-0.1 -75,-0.2 0.012 72.8 -67.5 -87.6-169.8 13.4 1.7 22.7 187 188 A L H > S+ 0 0 0 -77,-2.6 4,-1.0 1,-0.2 -76,-0.1 0.870 131.3 40.6 -56.4 -48.6 9.8 3.0 22.4 188 189 A I H >> S+ 0 0 2 -7,-0.6 3,-0.9 -78,-0.4 4,-0.9 0.943 116.7 50.2 -64.9 -44.7 8.7 1.5 19.1 189 190 A D H >> S+ 0 0 2 -6,-0.3 4,-0.6 -8,-0.3 3,-0.6 0.850 101.7 64.9 -59.0 -32.6 10.4 -1.8 19.8 190 191 A Q H 3< S+ 0 0 0 -4,-2.5 3,-0.5 1,-0.3 -1,-0.2 0.839 100.9 49.2 -61.9 -32.5 8.6 -1.8 23.2 191 192 A F H << S+ 0 0 0 -4,-1.0 -1,-0.3 -3,-0.9 -2,-0.2 0.770 108.0 56.1 -72.6 -27.0 5.3 -2.1 21.4 192 193 A L H << S+ 0 0 1 -4,-0.9 2,-0.4 -3,-0.6 -1,-0.2 0.481 100.0 65.5 -86.0 -6.8 6.6 -5.0 19.3 193 194 A H S X S- 0 0 0 -4,-0.6 4,-2.1 -3,-0.5 3,-0.4 -0.952 72.2-137.8-123.7 141.5 7.6 -7.3 22.1 194 195 A H T 4 S+ 0 0 27 -2,-0.4 -1,-0.1 1,-0.2 50,-0.1 0.770 98.1 67.0 -66.9 -27.2 5.5 -9.0 24.8 195 196 A D T 4 S+ 0 0 33 48,-0.4 -1,-0.2 1,-0.2 3,-0.1 0.937 117.8 23.8 -56.9 -46.1 7.9 -8.2 27.7 196 197 A S T 4 S+ 0 0 1 -3,-0.4 2,-0.8 1,-0.2 -67,-0.4 0.703 116.6 67.2 -92.1 -27.3 7.2 -4.5 27.4 197 198 A N < + 0 0 4 -4,-2.1 8,-0.3 1,-0.1 -1,-0.2 -0.847 43.4 147.6-108.4 99.2 3.8 -4.6 25.7 198 199 A R + 0 0 125 -2,-0.8 -1,-0.1 -3,-0.1 6,-0.1 0.074 32.4 140.0-110.1 19.0 1.1 -6.1 28.0 199 200 A R - 0 0 29 4,-0.2 6,-0.1 1,-0.1 -70,-0.1 -0.246 40.4-164.6 -68.3 154.3 -1.7 -3.9 26.6 200 201 A T + 0 0 144 4,-0.1 -1,-0.1 5,-0.1 2,-0.1 0.186 64.4 82.0-121.7 11.2 -5.2 -5.2 26.0 201 202 A D S > S- 0 0 41 8,-0.0 3,-1.9 1,-0.0 8,-0.0 -0.126 108.7 -63.7 -97.4-160.2 -6.4 -2.3 23.7 202 203 A E T 3 S+ 0 0 93 1,-0.3 10,-0.2 -2,-0.1 4,-0.0 0.546 132.8 57.5 -70.6 -2.9 -5.9 -1.8 20.0 203 204 A Y T 3 S+ 0 0 12 9,-0.1 2,-0.3 8,-0.1 -1,-0.3 0.295 108.6 42.7-107.1 7.9 -2.1 -1.5 20.6 204 205 A G S < S+ 0 0 3 -3,-1.9 5,-0.1 -6,-0.1 -4,-0.1 -0.914 84.1 41.0-142.4 169.3 -1.6 -4.9 22.2 205 206 A G S S+ 0 0 53 -2,-0.3 -5,-0.1 -8,-0.3 -3,-0.1 0.210 98.2 55.5 88.8 -17.3 -2.3 -8.5 22.3 206 207 A T S > S- 0 0 56 1,-0.1 4,-2.9 -4,-0.0 5,-0.3 -0.965 86.1-110.2-139.8 159.9 -2.2 -9.5 18.6 207 208 A P H > S+ 0 0 46 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.910 119.6 49.5 -57.3 -42.4 0.5 -9.1 15.9 208 209 A V H > S+ 0 0 57 1,-0.2 4,-0.6 2,-0.2 -3,-0.1 0.924 115.0 44.0 -62.7 -41.9 -1.6 -6.5 14.1 209 210 A N H >> S+ 0 0 30 1,-0.2 3,-0.7 2,-0.2 4,-0.5 0.897 112.7 49.9 -70.7 -41.1 -2.2 -4.6 17.3 210 211 A M H 3< S+ 0 0 0 -4,-2.9 4,-0.4 1,-0.2 3,-0.2 0.811 113.4 47.8 -68.5 -28.2 1.4 -4.8 18.5 211 212 A S H 3X S+ 0 0 0 -4,-1.9 4,-2.4 -5,-0.3 -1,-0.2 0.577 89.5 89.4 -81.5 -13.3 2.6 -3.6 15.0 212 213 A R H S+ 0 0 1 -4,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.925 114.3 45.9 -55.9 -45.9 5.3 1.2 14.4 215 216 A L H X S+ 0 0 9 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.864 110.3 52.9 -70.6 -34.2 3.2 1.4 11.3 216 217 A E H X S+ 0 0 67 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.905 112.0 46.4 -64.5 -40.8 1.4 4.6 12.4 217 218 A V H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 5,-0.2 0.946 114.1 47.4 -65.0 -48.9 4.8 6.2 12.9 218 219 A V H X S+ 0 0 0 -4,-2.6 4,-2.7 -5,-0.2 -2,-0.2 0.938 114.8 46.4 -55.4 -49.4 6.2 5.0 9.6 219 220 A D H X S+ 0 0 62 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.890 111.3 50.7 -67.2 -37.5 3.1 6.1 7.7 220 221 A A H X S+ 0 0 22 -4,-2.3 4,-0.9 -5,-0.2 -1,-0.2 0.893 112.8 46.8 -67.0 -37.3 3.0 9.5 9.4 221 222 A I H >X>S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 3,-0.8 0.928 110.3 51.9 -70.0 -43.3 6.6 10.1 8.5 222 223 A I H 3X5S+ 0 0 37 -4,-2.7 4,-2.0 1,-0.3 -2,-0.2 0.915 107.2 54.1 -56.7 -42.4 6.1 8.9 4.9 223 224 A A H 3<5S+ 0 0 85 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.767 115.0 41.3 -63.5 -27.7 3.2 11.4 4.7 224 225 A R H <<5S+ 0 0 118 -4,-0.9 -2,-0.2 -3,-0.8 -1,-0.2 0.855 136.8 5.9 -85.1 -41.4 5.6 14.2 5.8 225 226 A I H <5S- 0 0 23 -4,-2.7 -3,-0.2 -5,-0.1 -2,-0.2 0.473 104.6-101.2-129.2 -10.2 8.8 13.4 3.9 226 227 A G ><< - 0 0 29 -4,-2.0 3,-1.5 -5,-0.6 -3,-0.1 0.231 27.1 -93.4 96.8 145.4 8.3 10.6 1.5 227 228 A H G > S+ 0 0 64 1,-0.3 3,-1.5 2,-0.2 38,-0.9 0.793 118.4 62.9 -62.9 -30.4 9.0 6.8 1.4 228 229 A D G 3 S+ 0 0 19 1,-0.3 -1,-0.3 36,-0.2 -2,-0.1 0.675 107.2 45.3 -71.3 -16.1 12.3 7.2 -0.4 229 230 A R G < S+ 0 0 79 -3,-1.5 -51,-2.9 -4,-0.1 2,-0.5 0.144 99.7 87.7-108.9 14.7 13.7 9.3 2.6 230 231 A T E < +g 178 0B 0 -3,-1.5 35,-2.6 -53,-0.2 36,-0.6 -0.964 45.7 165.2-125.5 119.7 12.3 6.9 5.3 231 232 A G E -gh 179 266B 0 -53,-3.0 -51,-2.8 -2,-0.5 2,-0.4 -0.758 19.9-145.3-120.6 171.1 14.2 3.8 6.7 232 233 A L E -gh 180 267B 2 34,-1.6 36,-2.4 -53,-0.3 2,-0.4 -0.988 2.7-151.2-143.4 129.5 13.5 1.7 9.8 233 234 A R E -gh 181 268B 16 -53,-2.7 -51,-1.2 -2,-0.4 2,-0.3 -0.860 24.3-178.6 -97.6 135.7 15.8 -0.1 12.3 234 235 A I E -gh 182 269B 0 34,-2.5 36,-2.5 -2,-0.4 -51,-0.3 -0.949 25.7-156.4-134.6 154.4 14.3 -3.2 14.0 235 236 A S + 0 0 1 -53,-0.7 -50,-0.1 -2,-0.3 4,-0.1 -0.768 15.5 171.4-129.2 82.6 15.3 -5.8 16.5 236 237 A P S S+ 0 0 6 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.841 70.8 67.0 -61.8 -31.4 13.3 -8.9 16.1 237 238 A G S S- 0 0 6 33,-0.2 2,-0.3 -3,-0.1 33,-0.1 -0.807 88.5-129.6 -92.0 127.1 15.6 -10.6 18.6 238 239 A A + 0 0 21 -2,-0.5 6,-0.1 1,-0.2 3,-0.1 -0.592 54.8 127.6 -74.4 130.8 15.4 -9.4 22.2 239 240 A Y + 0 0 73 -2,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.480 54.0 58.8-156.9 -18.8 18.8 -8.5 23.6 240 241 A F S S- 0 0 77 1,-0.1 -1,-0.2 3,-0.1 3,-0.1 -0.965 125.6 -25.7-128.4 118.1 19.0 -4.9 25.2 241 242 A N S S+ 0 0 43 -2,-0.4 2,-0.3 1,-0.1 -1,-0.1 0.836 118.3 103.3 49.3 34.2 16.6 -3.8 28.0 242 243 A M - 0 0 17 -47,-0.0 2,-0.2 -109,-0.0 -1,-0.1 -0.937 63.4-145.6-148.2 122.5 14.2 -6.5 26.6 243 244 A A - 0 0 48 -2,-0.3 -48,-0.4 1,-0.1 -47,-0.2 -0.601 32.5-110.5 -80.8 149.7 13.4 -10.0 27.9 244 245 A S - 0 0 74 -2,-0.2 2,-0.3 -6,-0.1 -1,-0.1 -0.369 30.1-173.0 -79.1 159.0 12.7 -12.6 25.3 245 246 A D > - 0 0 33 -2,-0.1 3,-1.9 1,-0.0 4,-0.3 -0.955 27.3-136.3-151.9 129.5 9.3 -14.1 24.6 246 247 A S T 3 S+ 0 0 75 -2,-0.3 3,-0.4 1,-0.3 4,-0.2 0.647 102.5 61.9 -63.3 -16.3 8.6 -17.0 22.2 247 248 A R T 3> S+ 0 0 133 1,-0.2 4,-0.6 2,-0.1 3,-0.4 0.520 80.1 83.3 -85.8 -7.6 5.5 -15.2 20.9 248 249 A D H X> S+ 0 0 7 -3,-1.9 4,-1.6 1,-0.2 3,-1.0 0.844 76.5 69.8 -68.7 -31.1 7.4 -12.2 19.5 249 250 A R H 3> S+ 0 0 80 -3,-0.4 4,-2.3 -4,-0.3 -1,-0.2 0.897 95.1 53.0 -53.4 -45.8 8.4 -13.9 16.3 250 251 A V H 3> S+ 0 0 77 -3,-0.4 4,-1.1 -4,-0.2 -1,-0.3 0.771 102.2 59.8 -69.1 -20.7 4.8 -13.9 14.9 251 252 A V H S+ 0 0 61 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.880 113.4 53.4 -62.9 -33.6 5.3 -7.9 4.9 258 259 A E H X S+ 0 0 34 -4,-1.4 4,-0.5 1,-0.2 3,-0.5 0.918 108.0 49.9 -62.5 -41.2 3.4 -4.7 6.0 259 260 A L H ><>S+ 0 0 0 -4,-2.6 3,-1.6 1,-0.2 5,-0.5 0.885 102.5 61.1 -63.5 -38.0 6.6 -2.8 5.9 260 261 A E H ><5S+ 0 0 67 -4,-2.1 3,-1.5 1,-0.3 -1,-0.2 0.863 95.8 62.2 -58.4 -33.7 7.3 -4.1 2.4 261 262 A K H 3<5S+ 0 0 152 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.734 97.8 57.9 -63.2 -24.0 4.1 -2.4 1.2 262 263 A R T <<5S- 0 0 47 -3,-1.6 -1,-0.3 -4,-0.5 -2,-0.2 0.527 97.7-139.4 -86.3 -7.9 5.6 1.0 2.2 263 264 A D T < 5 - 0 0 66 -3,-1.5 -3,-0.1 -4,-0.4 -2,-0.1 0.928 30.6-165.3 50.6 54.1 8.6 0.6 -0.1 264 265 A L < - 0 0 8 -5,-0.5 32,-0.2 1,-0.1 -33,-0.2 -0.182 33.0-112.4 -66.2 160.8 11.0 2.1 2.5 265 266 A A S S- 0 0 0 -35,-2.6 2,-0.3 -38,-0.9 -34,-0.2 0.894 90.8 -33.3 -57.9 -42.4 14.5 3.3 1.7 266 267 A F E -h 231 0B 0 -36,-0.6 -34,-1.6 29,-0.0 2,-0.4 -0.953 46.6-128.9-167.9 159.5 15.8 0.4 3.8 267 268 A V E -hi 232 297B 0 29,-1.9 31,-2.7 -2,-0.3 2,-0.4 -0.945 30.5-162.1-109.4 141.1 15.2 -1.9 6.8 268 269 A H E -hi 233 298B 0 -36,-2.4 -34,-2.5 -2,-0.4 2,-0.3 -0.986 13.6-129.4-128.4 132.7 18.2 -2.1 9.1 269 270 A I E -h 234 0B 0 29,-2.2 2,-0.6 -2,-0.4 -34,-0.2 -0.614 12.2-147.2 -78.7 140.1 18.8 -4.7 11.8 270 271 A G + 0 0 2 -36,-2.5 -86,-0.3 -2,-0.3 2,-0.3 -0.932 48.9 115.9-109.4 107.9 19.7 -3.7 15.3 271 272 A I - 0 0 10 -2,-0.6 3,-0.2 1,-0.1 31,-0.1 -0.946 56.3-138.8-159.2 159.6 22.1 -6.2 16.9 272 273 A F S S+ 0 0 114 -2,-0.3 2,-0.4 1,-0.3 30,-0.1 0.747 96.6 22.2 -97.8 -32.2 25.7 -6.2 18.1 273 274 A D > - 0 0 57 28,-0.1 3,-1.8 29,-0.1 -1,-0.3 -0.854 61.7-172.5-138.3 98.2 26.9 -9.5 16.8 274 275 A D T 3 S+ 0 0 1 27,-2.0 12,-0.2 -2,-0.4 28,-0.1 0.494 79.0 78.1 -73.2 -1.6 24.9 -10.8 13.9 275 276 A S T 3 S+ 0 0 86 26,-0.3 2,-0.3 9,-0.1 -1,-0.3 0.593 75.3 100.9 -75.2 -13.1 26.8 -14.1 14.1 276 277 A I < - 0 0 84 -3,-1.8 9,-0.5 7,-0.0 2,-0.4 -0.547 68.3-141.8 -74.5 131.9 24.6 -15.0 17.0 277 278 A E E -M 284 0E 147 -2,-0.3 2,-0.6 7,-0.2 7,-0.3 -0.825 7.4-145.6 -92.4 138.3 21.7 -17.3 16.4 278 279 A F E >>> -M 283 0E 34 5,-2.6 5,-1.6 -2,-0.4 3,-1.1 -0.896 5.7-146.8-103.6 121.9 18.3 -16.6 18.1 279 280 A D G >45S+ 0 0 154 -2,-0.6 3,-1.3 1,-0.2 -1,-0.2 0.919 99.7 50.1 -44.7 -53.1 16.3 -19.7 19.1 280 281 A Y G 345S+ 0 0 109 1,-0.3 -1,-0.2 2,-0.1 -31,-0.0 0.674 112.9 46.2 -69.7 -17.4 13.0 -17.9 18.5 281 282 A L G <45S- 0 0 7 -3,-1.1 -1,-0.3 2,-0.3 -2,-0.2 0.420 107.9-118.6-104.2 -1.4 14.0 -16.7 15.0 282 283 A G T <<5S- 0 0 66 -3,-1.3 2,-0.3 -4,-0.7 -3,-0.2 0.697 80.9 -19.4 70.7 19.2 15.4 -19.9 13.7 283 284 A G E -M 277 0E 28 -2,-0.3 4,-2.3 -7,-0.3 5,-0.2 -0.234 62.6-117.5 -71.5 157.0 20.5 -15.0 12.9 285 286 A A H > S+ 0 0 2 -9,-0.5 4,-2.4 1,-0.2 5,-0.2 0.921 114.2 48.5 -59.4 -45.7 18.5 -11.8 13.0 286 287 A S H > S+ 0 0 5 -12,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.909 110.6 50.2 -65.8 -39.7 19.5 -10.8 9.5 287 288 A S H > S+ 0 0 54 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.885 109.4 52.5 -67.5 -35.1 18.7 -14.3 8.0 288 289 A Y H X S+ 0 0 4 -4,-2.3 4,-0.6 2,-0.2 3,-0.3 0.962 113.4 43.0 -59.9 -51.1 15.3 -14.1 9.7 289 290 A V H >X S+ 0 0 0 -4,-2.4 3,-1.6 1,-0.2 4,-1.1 0.936 110.9 54.7 -63.4 -42.8 14.5 -10.7 8.2 290 291 A R H 3< S+ 0 0 54 -4,-2.8 -1,-0.2 1,-0.3 3,-0.2 0.822 106.7 53.4 -60.9 -29.9 15.9 -11.7 4.8 291 292 A A H 3< S+ 0 0 76 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.618 119.8 32.2 -77.2 -12.5 13.5 -14.7 4.8 292 293 A H H << S+ 0 0 55 -3,-1.6 2,-0.3 -4,-0.6 -2,-0.2 0.320 116.2 54.4-126.4 4.4 10.5 -12.4 5.5 293 294 A Y < - 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0 0 46 -2,-0.3 4,-2.7 1,-0.1 5,-0.3 -0.576 37.2-101.5 -86.9 170.1 34.7 -7.1 9.2 305 306 A A H > S+ 0 0 3 1,-0.2 4,-2.4 -2,-0.2 5,-0.2 0.911 125.9 50.7 -55.8 -39.4 34.9 -5.6 5.7 306 307 A E H > S+ 0 0 90 2,-0.2 4,-2.1 1,-0.2 -300,-0.2 0.927 111.9 42.0 -68.6 -44.3 35.8 -9.1 4.6 307 308 A T H > S+ 0 0 31 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.879 115.8 51.0 -74.0 -31.8 32.9 -10.9 6.3 308 309 A A H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.922 110.0 50.1 -65.4 -44.4 30.4 -8.1 5.3 309 310 A S H X S+ 0 0 7 -4,-2.4 4,-2.4 -5,-0.3 -2,-0.2 0.921 112.2 47.8 -60.7 -42.5 31.6 -8.4 1.7 310 311 A K H X S+ 0 0 33 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.923 110.7 50.5 -65.1 -44.8 31.1 -12.1 1.8 311 312 A A H <>S+ 0 0 0 -4,-2.4 5,-2.6 2,-0.2 6,-0.4 0.915 112.2 47.2 -59.2 -43.9 27.6 -11.9 3.3 312 313 A I H ><5S+ 0 0 14 -4,-2.6 3,-1.8 1,-0.2 -2,-0.2 0.925 109.7 53.0 -65.2 -41.3 26.6 -9.4 0.6 313 314 A A H 3<5S+ 0 0 69 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.827 108.1 52.7 -58.5 -35.3 28.1 -11.6 -2.2 314 315 A E T 3<5S- 0 0 65 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.235 117.8-114.1 -86.6 10.1 26.0 -14.4 -0.7 315 316 A D T < 5S+ 0 0 112 -3,-1.8 -3,-0.2 2,-0.2 -2,-0.1 0.757 76.6 132.1 66.6 26.2 22.8 -12.3 -0.9 316 317 A K S > + 0 0 13 -2,-0.4 3,-1.7 -293,-0.2 4,-0.9 0.745 66.7 28.9-107.8 -91.8 29.8 0.9 14.1 324 325 A R H >> S+ 0 0 86 1,-0.3 4,-2.2 2,-0.2 3,-1.1 0.855 117.2 57.0 -49.9 -42.0 32.7 0.4 16.5 325 326 A P H 3> S+ 0 0 42 0, 0.0 4,-1.6 0, 0.0 -1,-0.3 0.799 102.9 56.5 -62.7 -25.9 35.3 0.3 13.7 326 327 A F H <4 S+ 0 0 1 -3,-1.7 -2,-0.2 2,-0.2 6,-0.2 0.693 107.2 49.0 -74.9 -21.1 34.2 3.7 12.5 327 328 A I H << S+ 0 0 14 -3,-1.1 -1,-0.2 -4,-0.9 -3,-0.1 0.918 116.4 41.5 -76.4 -47.0 34.9 5.0 16.0 328 329 A A H < S+ 0 0 16 -4,-2.2 -2,-0.2 1,-0.2 15,-0.1 0.746 127.1 33.4 -69.7 -24.4 38.4 3.4 16.1 329 330 A N >< - 0 0 3 -4,-1.6 3,-1.9 -5,-0.2 -1,-0.2 -0.828 56.9-178.8-139.3 91.0 39.1 4.4 12.5 330 331 A P T 3 S+ 0 0 35 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.848 93.6 51.4 -57.0 -30.0 37.6 7.7 11.2 331 332 A D T 3> S+ 0 0 71 1,-0.2 4,-2.6 -3,-0.1 5,-0.3 -0.050 73.2 133.9 -97.0 28.3 39.3 6.8 7.9 332 333 A Y H <> + 0 0 4 -3,-1.9 4,-2.6 1,-0.2 5,-0.2 0.867 68.9 49.8 -43.6 -50.8 37.7 3.4 7.9 333 334 A V H > S+ 0 0 2 -3,-0.3 4,-2.7 1,-0.2 -1,-0.2 0.933 112.8 45.1 -63.4 -46.1 36.5 3.6 4.2 334 335 A A H > S+ 0 0 23 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.891 113.2 50.7 -65.6 -38.4 39.9 4.7 2.9 335 336 A K H <>S+ 0 0 51 -4,-2.6 5,-2.8 2,-0.2 4,-0.3 0.918 112.6 46.3 -66.8 -41.9 41.8 2.1 4.9 336 337 A V H ><5S+ 0 0 14 -4,-2.6 3,-1.3 -5,-0.3 -2,-0.2 0.942 111.8 51.7 -64.2 -44.5 39.5 -0.7 3.7 337 338 A R H 3<5S+ 0 0 119 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.868 117.0 39.6 -58.9 -35.3 39.8 0.6 0.1 338 339 A N T 3<5S- 0 0 99 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.261 109.9-117.3-102.1 10.4 43.6 0.6 0.4 339 340 A S T < 5 + 0 0 116 -3,-1.3 2,-0.2 -4,-0.3 -3,-0.2 0.875 59.8 157.7 56.0 41.5 44.0 -2.7 2.3 340 341 A E < - 0 0 97 -5,-2.8 -1,-0.2 -6,-0.1 2,-0.1 -0.648 49.1 -87.6 -98.3 156.0 45.6 -0.8 5.3 341 342 A E - 0 0 172 -2,-0.2 2,-0.4 1,-0.1 -1,-0.1 -0.357 41.3-147.9 -65.7 136.0 45.7 -2.0 8.9 342 343 A L - 0 0 67 -2,-0.1 2,-0.3 -7,-0.0 -13,-0.1 -0.843 12.7-122.3-103.7 142.4 42.7 -1.1 11.1 343 344 A V - 0 0 80 -2,-0.4 2,-0.2 -18,-0.1 -15,-0.1 -0.644 28.7-119.8 -80.7 134.1 42.7 -0.4 14.8 344 345 A A - 0 0 83 -2,-0.3 2,-0.2 1,-0.1 -1,-0.1 -0.497 32.1-109.5 -71.1 141.6 40.5 -2.5 17.0 345 346 A Y - 0 0 63 -2,-0.2 2,-0.3 -16,-0.0 -1,-0.1 -0.458 32.8-174.7 -69.0 143.5 37.8 -0.7 19.0 346 347 A S > - 0 0 45 -2,-0.2 3,-2.5 -22,-0.1 4,-0.2 -0.991 34.4-122.6-133.9 145.1 38.1 -0.4 22.7 347 348 A D G > S+ 0 0 94 -2,-0.3 3,-2.0 1,-0.3 4,-0.2 0.761 107.5 73.0 -55.6 -25.3 35.4 1.1 24.9 348 349 A E G > S+ 0 0 128 1,-0.3 3,-1.5 2,-0.2 -1,-0.3 0.789 81.5 72.7 -63.2 -22.3 37.9 3.6 26.2 349 350 A M G X S+ 0 0 34 -3,-2.5 3,-1.4 1,-0.3 -1,-0.3 0.682 78.1 76.7 -65.6 -16.6 37.7 5.3 22.8 350 351 A L G < S+ 0 0 41 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.724 79.8 69.6 -68.8 -18.5 34.2 6.7 23.7 351 352 A A G < S+ 0 0 80 -3,-1.5 2,-0.4 -4,-0.2 -1,-0.3 0.704 97.8 61.2 -70.3 -18.0 35.8 9.4 26.0 352 353 A S S < S- 0 0 67 -3,-1.4 2,-0.9 -4,-0.2 -1,-0.0 -0.922 70.1-149.7-116.4 134.0 37.1 11.1 22.8 353 354 A L 0 0 26 -2,-0.4 -3,-0.1 1,-0.2 -302,-0.1 -0.818 360.0 360.0-103.5 93.9 35.1 12.5 19.9 354 355 A I 0 0 105 -2,-0.9 -1,-0.2 -5,-0.2 -300,-0.1 0.488 360.0 360.0-135.4 360.0 37.4 12.1 16.9