==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BIOSYNTHETIC PROTEIN, FLAVOPROTEIN 07-DEC-06 2E4G . COMPND 2 MOLECULE: TRYPTOPHAN HALOGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LECHEVALIERIA AEROCOLONIGENES; . AUTHOR L.C.BLASIAK,C.L.DRENNAN . 1058 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39093.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 745 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 4.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 144 13.6 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 . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 0.9 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 . 77 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 101 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 315 29.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 30 2.8 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 4 7 6 2 2 0 2 6 0 2 2 2 0 1 0 0 0 0 0 0 1 0 0 2 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 6 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 . 4 10 6 4 4 0 2 2 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 . 4 6 0 0 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 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 0 115 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-150.6 -33.2 35.1 -28.2 2 2 A S + 0 0 70 376,-0.1 2,-0.1 377,-0.1 0, 0.0 -0.806 360.0 91.2-144.4 177.5 -32.7 32.1 -25.9 3 3 A G S S- 0 0 46 -2,-0.3 375,-2.9 2,-0.0 376,-0.2 -0.242 84.9 -60.0 104.8 158.4 -31.1 28.8 -26.6 4 4 A K - 0 0 61 373,-0.2 2,-0.2 1,-0.1 373,-0.2 -0.272 63.8 -83.6 -76.0 164.5 -27.5 28.1 -26.1 5 5 A I + 0 0 0 371,-0.4 -1,-0.1 1,-0.2 3,-0.1 -0.467 47.7 175.3 -63.0 128.6 -24.6 29.9 -27.8 6 6 A D + 0 0 69 1,-0.3 27,-2.9 -2,-0.2 2,-0.4 0.751 60.5 35.8-105.7 -37.8 -24.2 28.2 -31.2 7 7 A K E -a 33 0A 80 25,-0.2 215,-2.8 27,-0.0 216,-1.6 -0.968 58.5-172.6-127.0 137.6 -21.5 30.4 -32.9 8 8 A I E -ab 34 223A 3 25,-2.6 27,-2.4 -2,-0.4 2,-0.5 -0.983 6.2-161.5-125.8 133.9 -18.5 32.2 -31.5 9 9 A L E -ab 35 224A 4 214,-2.1 216,-2.9 -2,-0.4 2,-0.5 -0.969 2.1-163.0-118.6 125.8 -16.2 34.6 -33.4 10 10 A I E -ab 36 225A 0 25,-3.2 27,-3.1 -2,-0.5 2,-0.6 -0.926 5.6-159.0-106.1 125.0 -12.8 35.4 -32.2 11 11 A V E +ab 37 226A 5 214,-2.6 216,-3.0 -2,-0.5 27,-0.2 -0.929 62.2 41.8-106.5 117.3 -11.2 38.6 -33.7 12 12 A G - 0 0 13 25,-2.6 216,-0.1 -2,-0.6 26,-0.1 0.132 59.9-149.5 117.8 126.6 -7.4 38.6 -33.4 13 13 A G + 0 0 21 26,-0.2 -1,-0.1 4,-0.1 215,-0.1 -0.298 55.9 100.5-125.2 52.8 -5.0 35.8 -33.9 14 14 A G S > S- 0 0 38 213,-0.4 4,-1.8 167,-0.0 5,-0.2 0.106 97.3 -55.2-103.9-138.4 -1.9 36.2 -31.7 15 15 A T H > S+ 0 0 33 2,-0.2 4,-1.5 1,-0.1 5,-0.2 0.936 139.6 45.0 -70.3 -46.2 -1.2 34.5 -28.4 16 16 A A H > S+ 0 0 18 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.934 112.9 50.8 -62.7 -49.0 -4.5 35.6 -26.9 17 17 A G H > S+ 0 0 0 210,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.924 114.8 40.3 -57.1 -50.2 -6.6 34.7 -29.9 18 18 A W H X S+ 0 0 3 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.728 114.0 54.0 -75.4 -20.1 -5.3 31.2 -30.4 19 19 A M H X S+ 0 0 2 -4,-1.5 4,-3.1 2,-0.2 5,-0.3 0.899 111.3 46.5 -74.8 -42.1 -5.3 30.6 -26.6 20 20 A A H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 5,-0.4 0.933 113.0 49.6 -62.7 -44.9 -8.9 31.6 -26.6 21 21 A A H X S+ 0 0 0 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.890 115.3 43.7 -60.9 -41.5 -9.6 29.4 -29.6 22 22 A S H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.921 116.6 44.6 -71.5 -46.1 -7.9 26.4 -28.0 23 23 A Y H X S+ 0 0 3 -4,-3.1 4,-3.2 2,-0.2 -2,-0.2 0.956 120.2 39.5 -65.2 -50.9 -9.4 26.9 -24.5 24 24 A L H X S+ 0 0 0 -4,-2.7 4,-3.1 -5,-0.3 -2,-0.2 0.910 114.6 53.8 -66.0 -41.2 -13.0 27.5 -25.8 25 25 A G H < S+ 0 0 3 -4,-1.9 4,-0.3 -5,-0.4 -1,-0.2 0.909 114.9 42.1 -58.7 -40.2 -12.6 24.9 -28.5 26 26 A K H >< S+ 0 0 72 -4,-2.1 3,-0.8 2,-0.2 -2,-0.2 0.947 116.9 46.2 -71.0 -48.9 -11.6 22.4 -25.8 27 27 A A H 3< S+ 0 0 20 -4,-3.2 -2,-0.2 1,-0.2 -3,-0.2 0.855 124.9 30.3 -63.3 -39.7 -14.2 23.5 -23.2 28 28 A L T >< S+ 0 0 6 -4,-3.1 3,-2.7 -5,-0.2 4,-0.3 0.185 85.1 169.7-106.3 15.6 -17.2 23.6 -25.7 29 29 A Q T < S- 0 0 96 -3,-0.8 -3,-0.1 1,-0.3 4,-0.1 0.067 70.0 -0.2 -36.0 120.2 -16.0 20.8 -28.0 30 30 A G T 3 S+ 0 0 78 2,-0.3 -1,-0.3 158,-0.3 3,-0.1 0.530 119.4 78.2 76.3 7.4 -18.7 19.8 -30.4 31 31 A T S < S+ 0 0 20 -3,-2.7 2,-0.3 1,-0.3 -2,-0.2 0.244 92.7 38.7-129.6 12.4 -21.3 22.2 -29.1 32 32 A A S S- 0 0 17 -4,-0.3 2,-0.6 -7,-0.1 -2,-0.3 -0.949 70.9-130.7-161.1 137.9 -20.2 25.5 -30.7 33 33 A D E -a 7 0A 117 -27,-2.9 -25,-2.6 -2,-0.3 2,-0.5 -0.847 29.8-162.0 -94.1 122.1 -18.8 26.5 -34.0 34 34 A I E -a 8 0A 11 -2,-0.6 157,-3.1 155,-0.3 2,-0.4 -0.903 12.2-179.2-113.0 130.5 -15.8 28.7 -33.5 35 35 A T E -ac 9 191A 25 -27,-2.4 -25,-3.2 -2,-0.5 2,-0.5 -0.983 10.8-158.2-125.6 136.2 -14.2 31.0 -36.1 36 36 A L E -ac 10 192A 0 155,-3.2 157,-2.7 -2,-0.4 2,-0.5 -0.971 8.9-150.1-116.8 124.3 -11.1 33.1 -35.6 37 37 A L E +ac 11 193A 4 -27,-3.1 -25,-2.6 -2,-0.5 2,-0.4 -0.830 22.0 178.1 -94.5 125.2 -10.6 36.1 -37.9 38 38 A Q E - c 0 194A 35 155,-3.3 157,-0.7 -2,-0.5 158,-0.1 -0.986 13.6-171.0-137.5 127.9 -6.9 36.9 -38.5 39 39 A A - 0 0 24 -2,-0.4 -26,-0.2 155,-0.2 2,-0.1 -0.869 37.4 -97.0-114.0 147.2 -5.2 39.6 -40.6 40 40 A P - 0 0 89 0, 0.0 2,-0.2 0, 0.0 -1,-0.0 -0.405 41.3-166.1 -66.0 133.4 -1.4 39.8 -41.3 41 41 A D - 0 0 134 -2,-0.1 3,-0.0 3,-0.0 0, 0.0 -0.639 37.5 -83.7-110.8 170.2 0.5 42.2 -39.1 42 42 A I - 0 0 148 -2,-0.2 -1,-0.0 1,-0.1 0, 0.0 -0.662 59.1-115.6 -73.6 125.1 4.0 43.6 -39.4 43 43 A P - 0 0 117 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.223 32.4-156.4 -61.8 153.4 6.1 40.8 -37.9 44 44 A T - 0 0 79 282,-0.0 2,-0.1 -3,-0.0 282,-0.0 -0.894 22.6 -92.6-130.3 162.3 8.1 41.5 -34.7 45 45 A L - 0 0 56 -2,-0.3 2,-1.6 212,-0.1 3,-0.1 -0.356 40.8-108.7 -70.8 151.3 11.2 40.0 -33.1 46 46 A G + 0 0 8 1,-0.2 -1,-0.1 126,-0.1 3,-0.1 -0.663 46.1 169.2 -82.4 90.3 10.8 37.2 -30.5 47 47 A V - 0 0 20 -2,-1.6 239,-0.2 1,-0.2 -1,-0.2 0.446 47.2-104.5 -85.3 1.1 11.7 39.3 -27.5 48 48 A G - 0 0 5 245,-0.1 2,-0.4 -3,-0.1 124,-0.2 0.300 22.6-130.8 92.7 145.4 10.6 36.6 -25.0 49 49 A E E -F 171 0B 66 122,-2.1 122,-1.9 -3,-0.1 2,-0.3 -0.991 12.8-156.7-131.7 137.1 7.8 35.7 -22.6 50 50 A A E -F 170 0B 14 -2,-0.4 311,-0.4 120,-0.2 120,-0.2 -0.852 19.0-174.5-111.4 151.0 8.1 34.6 -19.0 51 51 A T - 0 0 5 118,-1.6 117,-0.1 -2,-0.3 308,-0.1 -0.661 19.1-116.0-134.5-172.0 5.4 32.6 -17.3 52 52 A I > - 0 0 0 -2,-0.2 3,-2.2 116,-0.1 4,-0.3 -0.904 38.1 -97.1-129.2 158.4 4.2 31.0 -14.0 53 53 A P T >> S+ 0 0 11 0, 0.0 3,-1.6 0, 0.0 4,-0.8 0.774 113.5 64.6 -42.4 -43.1 3.6 27.4 -12.9 54 54 A N H 3>>S+ 0 0 0 1005,-0.3 4,-2.6 1,-0.3 5,-0.6 0.491 77.2 86.8 -69.2 1.6 -0.1 27.3 -13.5 55 55 A L H <>>S+ 0 0 4 -3,-2.2 5,-2.1 3,-0.2 4,-0.8 0.891 98.9 37.7 -63.5 -36.5 0.4 27.7 -17.3 56 56 A Q H <4>S+ 0 0 15 -3,-1.6 5,-2.9 -4,-0.3 6,-0.3 0.920 122.9 39.4 -80.1 -46.7 0.8 23.9 -17.4 57 57 A T H <5S+ 0 0 56 -4,-0.8 -2,-0.2 3,-0.2 -3,-0.1 0.821 126.3 33.2 -76.3 -31.8 -1.9 22.9 -14.8 58 58 A A H <5S+ 0 0 12 -4,-2.6 -3,-0.2 -5,-0.1 -1,-0.2 0.720 134.3 17.5 -97.1 -23.4 -4.5 25.5 -15.8 59 59 A F T XXS+ 0 0 0 -5,-2.1 5,-3.0 1,-0.2 4,-0.8 0.861 119.9 50.9 -58.6 -38.8 -2.0 23.0 -21.2 61 61 A D H >4> - 0 0 71 0, 0.0 4,-1.6 0, 0.0 3,-0.7 -0.277 20.3-119.4 -62.5 143.5 1.9 17.3 -22.0 67 67 A E H 3> S+ 0 0 37 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.902 114.0 54.2 -49.6 -46.9 4.6 19.7 -20.9 68 68 A D H 3> S+ 0 0 76 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.842 104.5 55.0 -58.9 -36.3 7.2 17.8 -23.1 69 69 A E H <> S+ 0 0 88 -3,-0.7 4,-1.2 1,-0.2 -1,-0.2 0.957 115.9 33.2 -65.1 -52.6 5.0 18.1 -26.2 70 70 A W H X S+ 0 0 0 -4,-1.6 4,-0.9 1,-0.2 -2,-0.2 0.858 114.2 59.5 -75.3 -32.9 4.6 21.9 -26.2 71 71 A M H ><>S+ 0 0 0 -4,-2.4 5,-1.9 -5,-0.3 3,-0.6 0.923 106.3 46.7 -59.7 -47.2 8.0 22.7 -24.8 72 72 A R H ><5S+ 0 0 107 -4,-1.6 3,-0.7 1,-0.2 -1,-0.2 0.872 112.8 49.2 -63.6 -38.9 10.0 21.0 -27.5 73 73 A E H 3<5S+ 0 0 100 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.615 116.8 42.5 -78.2 -10.4 7.9 22.6 -30.3 74 74 A C T <<5S- 0 0 0 -4,-0.9 98,-0.6 -3,-0.6 -1,-0.2 0.294 103.4-126.8-116.5 7.4 8.4 26.0 -28.7 75 75 A N T < 5 - 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0 0 26 187,-0.1 3,-0.1 -2,-0.1 323,-0.0 -0.789 69.9 -47.5 144.0 173.6 23.5 54.1 -11.0 92 92 A E - 0 0 121 -2,-0.2 2,-0.8 1,-0.1 185,-0.0 -0.115 68.5 -81.9 -69.8 170.3 23.3 53.7 -14.7 93 93 A G + 0 0 15 2,-0.0 2,-0.3 189,-0.0 185,-0.1 -0.677 67.3 157.7 -79.0 110.4 21.4 50.9 -16.5 94 94 A T - 0 0 42 -2,-0.8 4,-0.1 183,-0.5 221,-0.1 -0.961 51.0-135.5-135.6 153.9 23.8 47.9 -16.4 95 95 A S S S+ 0 0 41 220,-0.4 2,-0.5 -2,-0.3 -1,-0.1 0.621 86.1 86.6 -80.3 -12.4 23.6 44.2 -16.6 96 96 A E S S- 0 0 139 -11,-0.0 2,-0.1 1,-0.0 -2,-0.1 -0.779 82.9-121.8 -95.5 127.1 26.0 43.8 -13.7 97 97 A A - 0 0 37 -2,-0.5 9,-0.1 1,-0.1 -2,-0.1 -0.415 26.2-133.1 -66.1 133.9 24.7 43.9 -10.1 98 98 A R - 0 0 49 7,-0.3 7,-3.0 -2,-0.1 2,-0.3 -0.308 30.7 -90.5 -79.5 169.9 26.2 46.7 -7.9 99 99 A E E +N 104 0D 128 5,-0.2 2,-0.3 6,-0.1 -1,-0.1 -0.645 43.8 177.0 -85.7 138.9 27.5 46.0 -4.4 100 100 A L E > -N 103 0D 38 3,-3.5 3,-1.0 -2,-0.3 6,-0.1 -0.953 67.7 -23.5-145.2 121.5 25.2 46.4 -1.5 101 101 A D T 3 S- 0 0 156 -2,-0.3 -1,-0.0 1,-0.3 -2,-0.0 0.875 130.3 -42.7 42.5 50.3 26.1 45.7 2.1 102 102 A G T 3 S+ 0 0 70 1,-0.2 -1,-0.3 0, 0.0 -3,-0.1 0.713 127.9 64.9 75.4 22.2 28.9 43.4 1.1 103 103 A G E < S-N 100 0D 24 -3,-1.0 -3,-3.5 -5,-0.0 -1,-0.2 -0.978 93.0 -67.9-162.2 169.0 27.1 41.5 -1.7 104 104 A P E -N 99 0D 73 0, 0.0 2,-1.8 0, 0.0 -5,-0.2 -0.365 52.2-111.6 -66.0 146.3 25.5 41.9 -5.1 105 105 A D S S+ 0 0 0 -7,-3.0 -19,-2.9 2,-0.0 2,-0.3 -0.571 75.4 108.7 -80.6 82.1 22.4 44.0 -5.2 106 106 A H E -H 85 0C 18 -2,-1.8 2,-0.3 -21,-0.2 -21,-0.2 -0.978 38.5-177.3-150.1 159.9 19.8 41.4 -6.0 107 107 A F E -H 84 0C 3 -23,-0.9 -23,-2.9 -2,-0.3 2,-0.3 -0.962 23.4-123.0-155.2 151.0 17.0 39.4 -4.5 108 108 A Y E -H 83 0C 1 -2,-0.3 2,-0.7 -25,-0.2 -25,-0.2 -0.792 8.4-159.3-106.5 144.8 14.7 36.7 -5.8 109 109 A H E -H 82 0C 0 -27,-2.3 -27,-1.6 -2,-0.3 2,-0.2 -0.921 34.9-175.7-114.5 95.8 11.0 36.3 -6.1 110 110 A S E -H 81 0C 0 -2,-0.7 -29,-0.2 -29,-0.2 363,-0.1 -0.495 24.5-107.0 -93.6 165.7 10.7 32.6 -6.3 111 111 A F S S+ 0 0 1 -31,-1.2 55,-0.2 55,-0.4 2,-0.1 -0.314 75.6 53.5 -81.9 169.5 7.7 30.3 -6.9 112 112 A G S S- 0 0 4 339,-0.1 2,-0.4 53,-0.1 338,-0.1 -0.456 83.1 -75.7 100.2-174.4 6.2 28.2 -4.1 113 113 A L - 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0 0 215 -177,-0.6 2,-0.2 -2,-0.1 -2,-0.1 -0.840 16.8-127.8-106.5 142.5 -0.4 57.4 -4.2 426 426 A L - 0 0 13 -2,-0.4 -25,-0.0 1,-0.1 -177,-0.0 -0.561 37.6 -98.5 -81.1 151.9 -1.0 53.7 -3.6 427 427 A A >> - 0 0 17 -2,-0.2 4,-2.6 1,-0.1 3,-0.6 -0.350 35.4-110.5 -66.4 154.2 -4.6 52.6 -4.0 428 428 A D H 3> S+ 0 0 146 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.893 118.9 54.0 -53.5 -44.3 -6.5 52.3 -0.7 429 429 A G H 3> S+ 0 0 35 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.848 110.9 46.0 -60.3 -34.7 -6.6 48.5 -1.0 430 430 A M H <> S+ 0 0 0 -3,-0.6 4,-2.2 2,-0.2 -2,-0.2 0.903 109.4 53.8 -74.3 -42.3 -2.9 48.4 -1.4 431 431 A Q H X S+ 0 0 59 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.855 105.6 54.5 -60.6 -35.4 -2.3 50.9 1.5 432 432 A E H X S+ 0 0 67 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.898 106.9 51.2 -66.2 -37.9 -4.3 48.6 3.8 433 433 A K H X S+ 0 0 32 -4,-1.2 4,-3.0 2,-0.2 -2,-0.2 0.920 110.9 47.7 -63.6 -42.8 -2.1 45.7 2.8 434 434 A I H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.887 109.1 53.8 -66.0 -38.0 1.0 47.8 3.7 435 435 A D H X S+ 0 0 63 -4,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.951 112.1 45.2 -59.7 -46.4 -0.6 48.9 7.0 436 436 A M H <>S+ 0 0 22 -4,-2.4 5,-2.3 2,-0.2 3,-0.3 0.930 111.7 52.2 -61.7 -46.4 -1.1 45.2 7.8 437 437 A Y H ><5S+ 0 0 0 -4,-3.0 3,-1.9 1,-0.2 -2,-0.2 0.935 109.6 48.5 -55.5 -49.9 2.4 44.3 6.7 438 438 A R H 3<5S+ 0 0 84 -4,-2.9 45,-2.2 1,-0.3 46,-0.7 0.791 105.0 59.7 -62.1 -29.0 4.0 47.0 8.9 439 439 A A T 3<5S- 0 0 7 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.374 123.6-106.2 -80.7 4.1 1.8 45.8 11.8 440 440 A G T < 5S+ 0 0 3 -3,-1.9 -3,-0.2 1,-0.3 46,-0.2 0.490 75.7 137.4 86.0 3.3 3.6 42.4 11.4 441 441 A M < - 0 0 19 -5,-2.3 -1,-0.3 -6,-0.2 2,-0.1 -0.464 57.6-111.7 -82.3 154.8 0.6 40.6 9.8 442 442 A A - 0 0 21 -2,-0.1 2,-0.6 1,-0.0 3,-0.1 -0.437 27.2-132.2 -76.8 157.5 0.8 38.3 6.9 443 443 A I S S- 0 0 0 1,-0.2 28,-0.2 -2,-0.1 29,-0.1 -0.975 80.4 -21.4-114.6 117.9 -0.8 39.6 3.6 444 444 A N S S- 0 0 64 -2,-0.6 24,-1.3 23,-0.2 25,-0.2 0.930 83.5-158.5 49.5 52.2 -3.1 37.1 2.0 445 445 A A - 0 0 14 22,-0.3 -1,-0.1 23,-0.1 2,-0.1 -0.355 24.5-104.6 -59.3 140.2 -1.4 34.1 3.8 446 446 A P - 0 0 4 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.389 19.2-126.5 -67.6 147.8 -2.1 30.9 1.8 447 447 A A S S+ 0 0 8 1,-0.1 2,-0.3 13,-0.1 541,-0.3 0.874 96.6 14.6 -61.4 -35.1 -4.7 28.6 3.4 448 448 A S - 0 0 32 2,-0.1 -1,-0.1 539,-0.1 6,-0.1 -0.959 66.7-137.5-137.0 151.4 -2.1 25.8 3.2 449 449 A D S S+ 0 0 55 -2,-0.3 2,-0.9 -3,-0.1 -336,-0.3 0.275 70.8 117.6 -92.6 12.9 1.7 25.9 2.6 450 450 A D > - 0 0 63 1,-0.2 4,-1.9 -338,-0.1 3,-0.3 -0.706 46.7-170.2 -81.9 106.3 1.2 22.9 0.3 451 451 A A H > S+ 0 0 18 -2,-0.9 4,-2.9 1,-0.2 5,-0.3 0.813 81.6 62.7 -67.7 -30.9 2.4 24.2 -3.1 452 452 A Q H > S+ 0 0 166 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.897 107.5 43.3 -62.7 -39.5 1.1 21.1 -4.9 453 453 A L H > S+ 0 0 68 -3,-0.3 4,-1.2 2,-0.2 8,-0.2 0.960 114.9 51.0 -67.7 -50.7 -2.4 21.9 -3.9 454 454 A Y H >< S+ 0 0 7 -4,-1.9 3,-0.9 1,-0.2 7,-0.6 0.946 119.2 32.9 -49.8 -63.6 -1.9 25.6 -4.7 455 455 A Y H 3< S+ 0 0 11 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.604 118.4 56.8 -73.9 -11.6 -0.5 25.2 -8.2 456 456 A G H 3< S+ 0 0 53 -4,-0.9 2,-0.5 -5,-0.3 -1,-0.2 0.580 103.9 52.8 -95.7 -9.2 -2.7 22.1 -8.8 457 457 A N S+ 0 0 18 -2,-0.5 4,-3.5 1,-0.2 5,-0.3 0.856 90.0 55.7 -54.1 -40.0 -6.7 26.9 -10.1 459 459 A E H > S+ 0 0 18 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.932 108.1 49.2 -59.9 -44.6 -9.6 27.9 -7.9 460 460 A E H 4 S+ 0 0 27 -3,-0.3 4,-0.4 515,-0.3 -2,-0.2 0.946 117.5 40.2 -59.8 -49.7 -7.4 27.8 -4.9 461 461 A E H >< S+ 0 0 0 -4,-2.2 3,-1.6 -7,-0.6 -2,-0.2 0.917 110.1 56.2 -68.5 -45.0 -4.7 29.9 -6.5 462 462 A F H >< S+ 0 0 25 -4,-3.5 3,-0.8 1,-0.3 -1,-0.2 0.854 107.5 51.1 -56.8 -35.2 -6.9 32.4 -8.2 463 463 A R T 3< S+ 0 0 108 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.597 126.1 26.3 -76.1 -12.7 -8.5 33.3 -4.9 464 464 A N T < S+ 0 0 12 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 -0.259 78.1 144.6-144.1 46.8 -5.0 33.8 -3.4 465 465 A F S < S+ 0 0 15 -3,-0.8 2,-0.8 1,-0.2 -2,-0.1 0.899 74.3 38.8 -57.7 -49.8 -3.0 34.7 -6.4 466 466 A W S S+ 0 0 7 -4,-0.2 -1,-0.2 593,-0.1 2,-0.2 -0.905 88.4 178.0-103.8 102.4 -0.7 37.2 -4.7 467 467 A N >> - 0 0 0 -2,-0.8 4,-2.0 -3,-0.1 3,-1.0 -0.540 46.7 -88.0-104.3 171.6 -0.0 35.6 -1.3 468 468 A N H 3> S+ 0 0 0 -24,-1.3 4,-2.5 1,-0.3 5,-0.2 0.794 124.6 58.6 -44.3 -38.6 2.1 36.5 1.7 469 469 A S H 3> S+ 0 0 0 -25,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.931 107.7 45.5 -59.6 -47.1 5.1 34.7 0.2 470 470 A N H <> S+ 0 0 0 -3,-1.0 4,-2.0 1,-0.2 5,-0.2 0.920 112.7 50.2 -63.5 -47.0 5.0 37.0 -2.9 471 471 A Y H X S+ 0 0 2 -4,-2.0 4,-2.9 -28,-0.2 5,-0.4 0.896 112.5 46.8 -61.3 -40.8 4.5 40.2 -0.9 472 472 A Y H X>S+ 0 0 2 -4,-2.5 4,-1.8 -5,-0.2 5,-0.9 0.926 107.9 55.8 -69.4 -42.2 7.4 39.4 1.4 473 473 A C H X5S+ 0 0 1 -4,-2.4 4,-1.0 -5,-0.2 -2,-0.2 0.943 119.6 32.2 -52.6 -49.8 9.8 38.4 -1.4 474 474 A V H X5S+ 0 0 0 -4,-2.0 4,-2.0 3,-0.2 6,-0.2 0.930 124.2 41.7 -76.2 -48.1 9.2 41.8 -3.0 475 475 A L H X>S+ 0 0 0 -4,-2.9 5,-2.4 -5,-0.2 4,-1.1 0.965 122.5 38.1 -66.8 -53.5 8.7 44.1 -0.0 476 476 A A H ><5S+ 0 0 13 -4,-1.8 3,-0.6 -5,-0.4 -3,-0.2 0.910 114.0 58.3 -63.8 -40.5 11.4 42.7 2.2 477 477 A G H 3< - 0 0 15 -362,-0.3 3,-1.7 -46,-0.2 4,-0.4 -0.426 42.7-137.6 -57.8 123.3 4.4 40.0 15.2 487 487 A P G > S+ 0 0 17 0, 0.0 3,-0.8 0, 0.0 4,-0.2 0.729 97.0 67.5 -60.2 -20.3 3.5 40.5 18.8 488 488 A R G > S+ 0 0 28 415,-0.3 3,-1.0 1,-0.2 -2,-0.1 0.696 85.7 71.1 -74.9 -14.9 2.1 37.0 19.2 489 489 A L G X S+ 0 0 7 -3,-1.7 3,-1.9 1,-0.3 7,-0.3 0.807 86.1 64.3 -69.5 -29.0 5.6 35.5 18.8 490 490 A A G < S+ 0 0 56 -3,-0.8 -1,-0.3 -4,-0.4 -2,-0.2 0.661 102.4 51.8 -67.0 -14.5 6.6 36.8 22.3 491 491 A H G < S+ 0 0 4 -3,-1.0 -1,-0.3 -4,-0.2 -2,-0.2 0.260 101.7 64.8-103.4 10.1 3.9 34.4 23.5 492 492 A M <> + 0 0 33 -3,-1.9 4,-2.5 1,-0.1 3,-0.4 -0.361 51.3 152.1-130.6 54.7 5.4 31.5 21.6 493 493 A P H > S+ 0 0 62 0, 0.0 4,-0.6 0, 0.0 -1,-0.1 0.822 77.5 52.1 -53.8 -35.6 8.8 30.8 23.1 494 494 A Q H > S+ 0 0 151 2,-0.2 4,-2.4 1,-0.2 3,-0.2 0.882 111.3 46.8 -70.4 -37.5 8.7 27.2 22.2 495 495 A A H > S+ 0 0 8 -3,-0.4 4,-1.7 1,-0.2 -1,-0.2 0.922 109.9 51.0 -70.4 -45.7 7.8 27.9 18.6 496 496 A T H < S+ 0 0 27 -4,-2.5 -1,-0.2 -7,-0.3 -2,-0.2 0.663 114.8 47.1 -67.7 -12.7 10.5 30.6 18.1 497 497 A E H >< S+ 0 0 146 -4,-0.6 3,-1.3 -5,-0.3 -2,-0.2 0.877 112.2 45.4 -92.2 -46.5 13.0 28.1 19.5 498 498 A S H >< S+ 0 0 34 -4,-2.4 3,-1.2 1,-0.3 4,-0.4 0.672 95.2 76.9 -70.8 -17.3 12.0 25.0 17.4 499 499 A V T >X S+ 0 0 1 -4,-1.7 4,-1.9 1,-0.3 3,-0.9 0.690 73.8 84.8 -66.9 -14.9 11.8 27.1 14.2 500 500 A D H <> S+ 0 0 96 -3,-1.3 4,-1.6 1,-0.3 -1,-0.3 0.888 89.7 47.5 -52.2 -43.4 15.6 26.9 14.3 501 501 A E H <> S+ 0 0 148 -3,-1.2 4,-1.7 2,-0.2 -1,-0.3 0.696 103.5 61.0 -75.3 -18.8 15.4 23.5 12.6 502 502 A V H <> S+ 0 0 16 -3,-0.9 4,-1.3 -4,-0.4 -1,-0.2 0.919 109.7 42.1 -71.5 -42.3 13.0 24.9 10.0 503 503 A F H X S+ 0 0 16 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.841 113.0 55.4 -69.7 -32.4 15.7 27.3 8.9 504 504 A G H X S+ 0 0 27 -4,-1.6 4,-2.0 -5,-0.3 -1,-0.2 0.833 102.2 55.7 -69.1 -32.6 18.2 24.6 9.2 505 505 A A H X S+ 0 0 23 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.883 106.4 50.2 -67.2 -38.5 16.2 22.4 6.8 506 506 A V H X S+ 0 0 10 -4,-1.3 4,-2.5 1,-0.2 -1,-0.2 0.902 109.5 52.9 -64.9 -40.3 16.3 25.1 4.1 507 507 A K H X S+ 0 0 66 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.876 108.5 48.7 -62.8 -39.7 20.1 25.3 4.7 508 508 A D H X S+ 0 0 72 -4,-2.0 4,-3.0 2,-0.2 -1,-0.2 0.873 112.5 47.7 -70.1 -36.4 20.6 21.6 4.2 509 509 A R H X S+ 0 0 126 -4,-1.9 4,-2.6 2,-0.2 5,-0.4 0.887 109.7 54.2 -70.3 -36.9 18.5 21.6 1.0 510 510 A Q H X S+ 0 0 11 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.949 115.2 39.7 -59.2 -48.2 20.4 24.6 -0.2 511 511 A R H X S+ 0 0 125 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.925 117.5 47.1 -68.2 -47.8 23.7 22.7 0.3 512 512 A N H X S+ 0 0 73 -4,-3.0 4,-1.4 2,-0.2 5,-0.2 0.907 114.9 44.8 -63.2 -44.8 22.5 19.3 -1.0 513 513 A L H X S+ 0 0 13 -4,-2.6 4,-2.9 -5,-0.2 -1,-0.2 0.901 111.0 54.6 -67.4 -39.5 20.8 20.6 -4.1 514 514 A L H < S+ 0 0 76 -4,-1.7 -1,-0.2 -5,-0.4 -2,-0.2 0.882 113.3 42.5 -60.9 -38.4 23.8 22.9 -4.9 515 515 A E H < S+ 0 0 128 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.709 124.9 33.1 -82.6 -20.2 26.2 19.9 -4.7 516 516 A T H < S+ 0 0 76 -4,-1.4 -2,-0.2 -5,-0.2 -3,-0.2 0.717 91.1 96.7-109.8 -24.7 24.0 17.4 -6.6 517 517 A L < - 0 0 5 -4,-2.9 -359,-0.1 -5,-0.2 2,-0.1 -0.381 66.5-128.3 -72.9 142.9 22.0 19.3 -9.3 518 518 A P - 0 0 11 0, 0.0 -363,-2.7 0, 0.0 2,-0.1 -0.387 37.7 -93.8 -79.4 166.9 23.1 19.5 -12.9 519 519 A S B > -P 154 0F 16 -365,-0.3 4,-2.1 1,-0.1 -365,-0.3 -0.448 33.3-112.5 -77.0 158.4 23.3 23.0 -14.5 520 520 A L H > S+ 0 0 0 -367,-2.8 4,-2.6 -251,-0.3 5,-0.2 0.932 120.2 52.5 -55.7 -45.3 20.3 24.2 -16.4 521 521 A H H > S+ 0 0 20 -368,-0.4 4,-2.4 -252,-0.3 -1,-0.2 0.909 105.9 53.5 -57.0 -45.3 22.3 24.0 -19.6 522 522 A E H > S+ 0 0 73 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.921 111.7 45.2 -56.1 -46.7 23.3 20.4 -18.9 523 523 A F H X S+ 0 0 4 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.901 111.0 52.1 -66.0 -42.5 19.7 19.3 -18.4 524 524 A L H X S+ 0 0 7 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.880 104.4 58.7 -62.1 -37.5 18.5 21.2 -21.6 525 525 A R H < S+ 0 0 150 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.951 112.9 37.1 -55.8 -51.9 21.2 19.4 -23.6 526 526 A Q H < S+ 0 0 111 -4,-1.6 -2,-0.2 -5,-0.1 -1,-0.2 0.919 122.5 47.2 -65.6 -43.6 19.9 16.0 -22.7 527 527 A Q H < 0 0 20 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.948 360.0 360.0 -65.9 -61.7 16.3 17.2 -22.9 528 528 A H < 0 0 76 -4,-2.5 -1,-0.2 -5,-0.1 -3,-0.1 0.679 360.0 360.0 -72.3 360.0 15.7 19.2 -26.1 529 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 530 2 B S 0 0 103 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 8.9 5.8 49.0 24.8 531 3 B G - 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0 0 16 -362,-0.3 3,-1.9 -46,-0.2 4,-0.5 -0.451 40.9-133.5 -59.6 120.5 -26.3 26.4 -15.8 1015 487 B P G >4 S+ 0 0 15 0, 0.0 3,-0.8 0, 0.0 4,-0.3 0.776 101.4 69.2 -47.5 -30.6 -25.7 27.4 -19.4 1016 488 B R G >4 S+ 0 0 28 -641,-0.3 3,-1.8 1,-0.2 4,-0.2 0.844 85.9 64.8 -58.6 -39.0 -22.4 25.5 -19.2 1017 489 B L G X4 S+ 0 0 5 -3,-1.9 3,-1.6 1,-0.3 7,-0.3 0.799 90.6 63.6 -59.1 -31.8 -24.0 22.1 -19.0 1018 490 B A G << S+ 0 0 57 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.2 0.667 104.8 49.5 -67.4 -14.1 -25.5 22.4 -22.5 1019 491 B H G < S+ 0 0 5 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.348 102.8 64.8-103.5 3.7 -21.9 22.5 -23.7 1020 492 B M <> + 0 0 34 -3,-1.6 4,-2.6 -4,-0.2 3,-0.3 -0.416 50.4 153.5-126.2 59.2 -20.8 19.4 -21.7 1021 493 B P H > S+ 0 0 74 0, 0.0 4,-1.2 0, 0.0 5,-0.2 0.854 78.0 53.0 -54.4 -38.6 -22.6 16.4 -23.1 1022 494 B Q H > S+ 0 0 159 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.905 111.1 47.6 -64.7 -40.2 -19.9 14.0 -22.0 1023 495 B A H > S+ 0 0 6 -3,-0.3 4,-1.0 1,-0.2 -1,-0.2 0.936 110.9 49.3 -66.7 -47.4 -20.1 15.4 -18.5 1024 496 B T H < S+ 0 0 35 -4,-2.6 4,-0.2 -7,-0.3 -1,-0.2 0.708 113.7 47.9 -67.9 -18.2 -23.9 15.3 -18.2 1025 497 B E H >< S+ 0 0 138 -4,-1.2 3,-1.0 -5,-0.3 4,-0.2 0.904 112.3 46.7 -84.8 -46.9 -23.8 11.6 -19.4 1026 498 B S H >X S+ 0 0 22 -4,-2.3 3,-0.8 1,-0.2 4,-0.6 0.559 94.0 80.5 -71.9 -8.6 -21.1 10.5 -17.1 1027 499 B V H >X S+ 0 0 2 -4,-1.0 4,-2.1 1,-0.2 3,-0.7 0.776 74.6 72.6 -72.3 -24.3 -22.7 12.2 -14.1 1028 500 B D H <> S+ 0 0 91 -3,-1.0 4,-2.5 1,-0.3 -1,-0.2 0.830 91.2 59.3 -59.0 -29.6 -25.2 9.4 -13.5 1029 501 B E H <> S+ 0 0 128 -3,-0.8 4,-2.4 -4,-0.2 -1,-0.3 0.885 105.6 49.1 -65.1 -36.7 -22.4 7.2 -12.2 1030 502 B V H -K 682 0O 22 -365,-0.2 4,-2.3 -2,-0.1 -365,-0.3 -0.284 31.8-114.0 -67.0 159.2 -28.5 2.8 15.2 1048 520 B L H > S+ 0 0 0 -367,-2.4 4,-3.3 -251,-0.3 5,-0.2 0.937 119.1 53.9 -59.3 -46.0 -27.2 5.9 17.0 1049 521 B H H > S+ 0 0 24 -368,-0.3 4,-2.7 -252,-0.3 -1,-0.2 0.923 106.8 52.5 -52.2 -47.8 -28.7 4.6 20.2 1050 522 B E H > S+ 0 0 90 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.955 113.0 42.8 -53.9 -55.6 -26.8 1.4 19.8 1051 523 B F H X S+ 0 0 3 -4,-2.3 4,-2.9 1,-0.2 5,-0.3 0.906 112.4 54.4 -60.1 -42.8 -23.5 3.2 19.3 1052 524 B L H X S+ 0 0 7 -4,-3.3 4,-2.2 2,-0.2 5,-0.5 0.891 103.6 54.9 -60.2 -41.4 -24.2 5.6 22.1 1053 525 B R H < S+ 0 0 147 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.978 116.0 39.5 -55.0 -54.5 -24.8 2.8 24.6 1054 526 B Q H < S+ 0 0 103 -4,-1.8 -2,-0.2 3,-0.2 -1,-0.1 0.974 117.5 44.3 -57.3 -65.6 -21.4 1.3 23.7 1055 527 B Q H < S+ 0 0 17 -4,-2.9 -1,-0.2 2,-0.1 -2,-0.2 0.758 132.8 21.7 -55.0 -27.7 -19.3 4.5 23.4 1056 528 B H < 0 0 39 -4,-2.2 -3,-0.2 -5,-0.3 -2,-0.1 0.661 360.0 360.0-103.7 -96.9 -20.9 5.9 26.6 1057 529 B G 0 0 101 -5,-0.5 -3,-0.2 0, 0.0 -2,-0.1 0.715 360.0 360.0 -31.4 360.0 -22.4 3.2 28.9 1058 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 1059 1001 A W 0 0 0 0, 0.0 -1005,-0.3 0, 0.0 -593,-0.1 0.000 360.0 360.0 360.0 360.0 1.7 33.2 -8.5 1060 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 1061 1000 B W 0 0 0 0, 0.0 -421,-0.5 0, 0.0 -66,-0.1 0.000 360.0 360.0 360.0 360.0 -19.9 24.9 8.2