==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 29-JUN-04 1TVL . COMPND 2 MOLECULE: PROTEIN YTNJ; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR J.GORMAN,L.SHAPIRO,S.K.BURLEY,NEW YORK SGX RESEARCH CENTER F . 390 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18441.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 250 64.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 10.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 24 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 118 30.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.6 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 2 1 0 0 0 2 1 0 1 2 1 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 1 4 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 PARALLEL BRIDGES PER LADDER . 3 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 3 A R 0 0 91 0, 0.0 337,-0.1 0, 0.0 336,-0.0 0.000 360.0 360.0 360.0 162.6 18.3 58.1 17.2 2 4 A A + 0 0 106 2,-0.1 2,-0.0 369,-0.0 0, 0.0 0.933 360.0 58.6 -62.2 -50.0 19.0 57.9 13.5 3 5 A D S S- 0 0 50 1,-0.1 2,-0.3 369,-0.0 383,-0.0 -0.163 85.2-116.1 -77.7 170.9 16.0 60.1 12.6 4 6 A F - 0 0 78 1,-0.0 2,-0.2 339,-0.0 368,-0.2 -0.680 31.7-104.7 -98.1 159.2 15.1 63.6 13.7 5 7 A I - 0 0 3 366,-3.2 368,-0.3 -2,-0.3 2,-0.3 -0.612 36.4-153.1 -80.3 148.6 12.1 64.5 15.8 6 8 A Q E -a 344 0A 25 337,-1.0 339,-1.7 -2,-0.2 2,-0.4 -0.886 4.7-154.7-121.1 152.8 9.3 66.2 13.9 7 9 A F E -a 345 0A 0 -2,-0.3 43,-2.2 337,-0.2 44,-1.0 -0.985 7.4-168.7-127.9 145.4 6.6 68.6 15.0 8 10 A G E -ab 346 51A 0 337,-2.2 339,-3.5 -2,-0.4 2,-0.5 -0.906 17.3-139.9-117.4 154.4 3.1 69.5 13.9 9 11 A A E -ab 347 52A 1 42,-1.9 44,-2.8 -2,-0.3 2,-0.6 -0.974 5.7-148.1-116.3 124.0 1.1 72.5 15.1 10 12 A M E - b 0 53A 47 337,-2.3 2,-0.6 -2,-0.5 339,-0.5 -0.818 10.4-157.0 -86.2 121.3 -2.6 72.2 15.8 11 13 A I + 0 0 2 42,-1.9 44,-0.3 -2,-0.6 26,-0.1 -0.931 22.3 165.6-102.7 119.9 -4.2 75.6 15.1 12 14 A H > - 0 0 19 -2,-0.6 3,-3.0 1,-0.3 19,-0.1 -0.230 32.7-137.3-137.5 38.2 -7.4 75.6 17.1 13 15 A G T 3 S+ 0 0 5 1,-0.3 -1,-0.3 17,-0.2 3,-0.1 -0.053 86.9 4.3 43.5-118.9 -8.7 79.3 17.1 14 16 A V T 3 S- 0 0 12 1,-0.2 -1,-0.3 14,-0.1 3,-0.3 0.453 115.8-111.3 -81.1 -0.1 -9.9 80.2 20.6 15 17 A G < - 0 0 0 -3,-3.0 52,-0.5 1,-0.1 -1,-0.2 -0.264 27.5 -67.7 104.0 177.7 -8.8 76.8 22.0 16 18 A G S S+ 0 0 38 -3,-0.1 2,-0.2 51,-0.1 -1,-0.1 0.284 96.0 83.5 -94.4 7.6 -10.1 73.5 23.4 17 19 A T S S- 0 0 44 -3,-0.3 50,-0.3 1,-0.1 4,-0.3 -0.660 75.7-124.0-112.6 168.3 -11.6 74.8 26.7 18 20 A T S S+ 0 0 71 -2,-0.2 -1,-0.1 47,-0.1 3,-0.0 0.839 107.1 18.3 -72.1 -35.0 -14.9 76.4 27.9 19 21 A D S > S+ 0 0 26 1,-0.1 3,-2.0 2,-0.1 4,-0.2 0.437 88.6 100.1-125.7 -2.1 -13.3 79.5 29.4 20 22 A G G > S+ 0 0 6 1,-0.3 3,-1.9 2,-0.2 6,-0.2 0.808 76.9 68.9 -57.8 -31.5 -9.7 80.0 28.1 21 23 A W G 3 S+ 0 0 102 1,-0.3 -1,-0.3 -4,-0.3 5,-0.1 0.669 85.9 70.5 -58.6 -20.2 -11.1 82.6 25.7 22 24 A R G < S+ 0 0 130 -3,-2.0 -1,-0.3 265,-0.1 -2,-0.2 0.591 72.2 111.5 -77.7 -11.8 -11.7 84.8 28.7 23 25 A H S X S- 0 0 11 -3,-1.9 3,-1.6 -4,-0.2 264,-0.1 -0.373 78.5-121.3 -60.4 138.6 -8.0 85.3 29.3 24 26 A P T 3 S+ 0 0 113 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.794 110.5 50.6 -49.4 -38.4 -6.8 88.9 28.6 25 27 A D T 3 S+ 0 0 112 327,-0.1 2,-0.4 2,-0.1 328,-0.1 0.566 91.2 97.0 -80.7 -11.4 -4.4 87.9 25.9 26 28 A V < - 0 0 22 -3,-1.6 -12,-0.1 -6,-0.2 325,-0.0 -0.662 66.8-142.5 -87.7 134.2 -6.9 85.8 23.9 27 29 A D > - 0 0 66 -2,-0.4 3,-2.2 1,-0.1 4,-0.2 -0.834 9.2-156.0 -88.4 110.1 -8.7 87.1 20.9 28 30 A P T 3 S+ 0 0 85 0, 0.0 3,-0.3 0, 0.0 -14,-0.1 0.601 92.3 58.3 -69.5 -10.0 -12.2 85.6 21.2 29 31 A S T > S+ 0 0 57 1,-0.2 3,-1.9 2,-0.1 4,-0.1 0.339 74.6 110.7 -89.5 4.4 -12.7 86.0 17.4 30 32 A A G X + 0 0 2 -3,-2.2 3,-1.6 1,-0.3 -17,-0.2 0.767 62.8 65.3 -54.4 -34.7 -9.6 83.9 16.8 31 33 A S G 3 S+ 0 0 6 -3,-0.3 41,-1.5 1,-0.3 -1,-0.3 0.672 116.0 27.8 -68.1 -21.8 -11.5 80.8 15.3 32 34 A T G < S+ 0 0 59 -3,-1.9 2,-0.7 39,-0.2 -1,-0.3 0.015 95.5 113.6-123.0 26.9 -12.7 82.8 12.3 33 35 A N <> - 0 0 41 -3,-1.6 4,-1.8 1,-0.2 3,-0.2 -0.866 48.3-165.4-105.0 106.7 -9.8 85.2 12.2 34 36 A I H > S+ 0 0 69 -2,-0.7 4,-2.6 1,-0.2 5,-0.2 0.882 89.0 55.0 -62.2 -37.3 -7.7 84.7 9.1 35 37 A E H > S+ 0 0 96 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.907 105.0 53.6 -61.9 -43.2 -4.8 86.8 10.5 36 38 A F H > S+ 0 0 50 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.937 112.7 43.8 -54.9 -49.8 -4.7 84.6 13.6 37 39 A Y H X S+ 0 0 3 -4,-1.8 4,-2.4 -7,-0.2 -2,-0.2 0.892 113.5 50.0 -64.5 -42.3 -4.4 81.4 11.5 38 40 A M H X S+ 0 0 33 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.932 111.6 48.8 -64.3 -44.8 -1.8 82.9 9.1 39 41 A K H X S+ 0 0 125 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.913 112.7 46.9 -63.1 -45.2 0.4 84.1 11.9 40 42 A K H X S+ 0 0 20 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.920 112.7 50.0 -61.7 -44.7 0.3 80.7 13.8 41 43 A A H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.884 112.2 47.3 -61.2 -40.5 1.1 78.9 10.5 42 44 A Q H X S+ 0 0 86 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.823 110.4 52.7 -72.7 -31.6 4.0 81.2 9.8 43 45 A T H X S+ 0 0 29 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.940 110.0 48.6 -63.5 -47.9 5.3 80.8 13.3 44 46 A A H <>S+ 0 0 0 -4,-2.6 5,-2.5 1,-0.2 -2,-0.2 0.878 110.6 50.8 -58.6 -40.2 5.2 77.0 12.9 45 47 A E H ><5S+ 0 0 26 -4,-1.8 3,-2.1 1,-0.2 -1,-0.2 0.900 103.3 59.0 -67.6 -38.5 7.0 77.4 9.6 46 48 A K H 3<5S+ 0 0 150 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.853 106.6 49.2 -53.8 -36.6 9.7 79.5 11.3 47 49 A G T 3<5S- 0 0 2 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.274 117.6-116.5 -87.8 9.1 10.3 76.5 13.6 48 50 A L T < 5 + 0 0 28 -3,-2.1 -3,-0.2 1,-0.2 -41,-0.2 0.674 48.2 179.9 65.5 21.0 10.5 74.2 10.6 49 51 A F < - 0 0 0 -5,-2.5 40,-0.2 -6,-0.2 -41,-0.2 -0.199 31.3-133.9 -52.3 140.1 7.4 72.3 11.7 50 52 A S S S- 0 0 7 -43,-2.2 39,-2.2 1,-0.2 2,-0.3 0.778 76.0 -9.8 -69.5 -28.7 6.6 69.5 9.3 51 53 A F E -bc 8 89A 0 -44,-1.0 -42,-1.9 37,-0.2 2,-0.3 -0.996 53.0-126.1-161.5 159.5 2.9 70.4 9.2 52 54 A I E -bc 9 90A 0 37,-2.5 39,-2.8 -2,-0.3 2,-0.4 -0.871 29.5-150.8-104.1 153.2 -0.1 72.3 10.5 53 55 A F E -bc 10 91A 16 -44,-2.8 -42,-1.9 -2,-0.3 2,-0.6 -0.989 9.3-163.9-131.4 130.1 -3.2 70.4 11.6 54 56 A I E - c 0 92A 6 37,-2.4 39,-1.7 -2,-0.4 68,-0.2 -0.960 13.0-155.9-116.9 111.5 -6.8 71.5 11.5 55 57 A A - 0 0 20 -2,-0.6 2,-0.3 -44,-0.3 38,-0.1 -0.244 15.2-157.7 -72.5 170.5 -9.2 69.4 13.6 56 58 A D - 0 0 48 36,-0.1 2,-0.3 17,-0.1 38,-0.1 -0.994 18.5-168.6-152.1 159.6 -12.8 69.4 12.8 57 59 A G - 0 0 25 -2,-0.3 3,-0.1 11,-0.1 36,-0.0 -0.967 10.1-161.8-145.1 157.7 -16.4 68.7 14.0 58 60 A L S S+ 0 0 54 -2,-0.3 2,-0.3 1,-0.2 76,-0.1 0.202 72.1 48.3-127.0 12.9 -19.8 68.4 12.3 59 61 A F + 0 0 56 74,-0.0 2,-0.3 2,-0.0 -1,-0.2 -0.961 57.1 175.5-159.1 133.4 -22.3 68.9 15.1 60 62 A I - 0 0 78 -2,-0.3 2,-0.3 70,-0.1 9,-0.0 -0.934 9.8-168.2-135.5 161.4 -22.8 71.5 17.9 61 63 A S > - 0 0 47 -2,-0.3 3,-2.0 4,-0.1 -2,-0.0 -0.839 49.0 -90.6-133.3 179.4 -25.1 72.4 20.7 62 64 A E T 3 S+ 0 0 173 1,-0.3 7,-0.1 -2,-0.3 -2,-0.0 0.704 127.3 55.9 -71.1 -12.5 -25.4 75.5 22.9 63 65 A K T 3 S+ 0 0 188 2,-0.0 -1,-0.3 3,-0.0 -3,-0.0 0.439 80.8 117.7 -92.4 -1.5 -23.1 73.7 25.4 64 66 A S S < S- 0 0 24 -3,-2.0 5,-0.1 1,-0.1 -4,-0.1 -0.327 79.4 -93.5 -61.0 146.6 -20.3 73.2 22.7 65 67 A I >> - 0 0 28 1,-0.1 3,-1.1 -49,-0.1 4,-1.1 -0.275 40.0-105.4 -61.3 148.9 -17.0 74.9 23.5 66 68 A P H 3> S+ 0 0 40 0, 0.0 4,-0.8 0, 0.0 3,-0.4 0.797 118.5 55.6 -48.0 -39.2 -16.7 78.4 22.0 67 69 A H H 34 S+ 0 0 2 -52,-0.5 3,-0.5 -50,-0.3 -51,-0.1 0.880 106.6 51.4 -61.7 -38.0 -14.2 77.2 19.3 68 70 A F H <4 S+ 0 0 73 -3,-1.1 3,-0.3 1,-0.2 -1,-0.2 0.741 101.4 63.3 -72.0 -24.3 -16.6 74.5 18.1 69 71 A L H < S+ 0 0 82 -4,-1.1 2,-0.3 -3,-0.4 -1,-0.2 0.812 118.6 12.3 -69.6 -34.5 -19.5 77.0 17.8 70 72 A N S < S+ 0 0 101 -4,-0.8 2,-0.3 -3,-0.5 -1,-0.3 -0.844 86.4 132.2-155.2 98.9 -18.0 79.2 15.1 71 73 A R - 0 0 44 -2,-0.3 -39,-0.2 -3,-0.3 -40,-0.1 -0.982 53.6 -83.9-152.3 162.3 -14.9 78.2 13.1 72 74 A F - 0 0 47 -41,-1.5 -40,-0.0 -2,-0.3 -39,-0.0 -0.317 42.1-120.3 -61.9 146.4 -13.2 77.8 9.8 73 75 A E > - 0 0 74 1,-0.1 4,-1.9 -17,-0.1 5,-0.2 -0.688 28.9-119.8 -84.1 145.2 -13.9 74.6 7.8 74 76 A P H > S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.884 101.6 47.5 -63.9 -47.8 -10.6 72.7 7.1 75 77 A I H > S+ 0 0 15 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.883 115.3 47.7 -63.7 -35.5 -10.1 72.5 3.3 76 78 A T H > S+ 0 0 82 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.945 113.4 44.9 -70.6 -48.2 -10.8 76.2 2.9 77 79 A I H X S+ 0 0 4 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.909 114.1 50.7 -65.0 -37.1 -8.5 77.4 5.7 78 80 A L H X S+ 0 0 0 -4,-2.3 4,-1.6 -5,-0.2 -1,-0.2 0.908 110.1 48.9 -68.0 -38.8 -5.7 75.1 4.5 79 81 A S H X S+ 0 0 33 -4,-2.0 4,-0.9 -5,-0.2 -1,-0.2 0.897 111.6 49.9 -64.9 -40.4 -6.0 76.3 0.9 80 82 A A H >< S+ 0 0 45 -4,-2.2 3,-0.6 1,-0.2 4,-0.3 0.902 111.4 48.7 -61.7 -41.8 -5.9 79.9 2.1 81 83 A L H >< S+ 0 0 0 -4,-2.3 3,-1.2 1,-0.2 4,-0.3 0.773 98.3 70.0 -71.3 -26.7 -2.8 79.1 4.2 82 84 A A H >< S+ 0 0 7 -4,-1.6 3,-0.8 1,-0.2 -1,-0.2 0.869 96.4 52.7 -55.5 -39.8 -1.1 77.4 1.2 83 85 A S T << S+ 0 0 98 -4,-0.9 -1,-0.2 -3,-0.6 -2,-0.2 0.581 112.9 42.5 -74.5 -15.3 -0.7 80.8 -0.5 84 86 A V T < S+ 0 0 55 -3,-1.2 2,-0.3 -4,-0.3 -1,-0.2 0.172 109.9 60.0-119.2 15.5 1.0 82.4 2.5 85 87 A T < - 0 0 15 -3,-0.8 -43,-0.1 -4,-0.3 -47,-0.0 -0.862 58.3-159.4-135.2 170.4 3.4 79.6 3.5 86 88 A K S S+ 0 0 158 -2,-0.3 -1,-0.1 -44,-0.0 -44,-0.0 0.803 75.7 3.9-119.9 -57.9 6.2 77.7 1.8 87 89 A N S S+ 0 0 43 2,-0.1 297,-0.1 -38,-0.1 2,-0.1 0.615 90.2 112.7-113.6 -18.6 7.2 74.3 3.1 88 90 A I - 0 0 0 1,-0.1 -37,-0.2 -47,-0.1 -38,-0.2 -0.331 67.0-113.4 -72.4 135.8 4.9 73.4 5.9 89 91 A G E -c 51 0A 0 -39,-2.2 -37,-2.5 -40,-0.2 2,-0.5 -0.211 18.0-144.3 -60.9 155.6 2.4 70.5 5.6 90 92 A L E -cd 52 119A 0 28,-3.2 30,-2.3 -39,-0.2 2,-0.5 -0.875 21.5-179.1-131.8 93.7 -1.3 71.2 5.5 91 93 A V E -cd 53 120A 0 -39,-2.8 -37,-2.4 -2,-0.5 2,-0.4 -0.865 2.7-175.2-108.1 125.1 -3.3 68.5 7.2 92 94 A G E -cd 54 121A 0 28,-2.5 30,-2.7 -2,-0.5 2,-0.5 -0.910 24.1-122.4-125.4 144.7 -7.1 68.6 7.4 93 95 A T E + d 0 122A 8 -39,-1.7 2,-0.3 -2,-0.4 30,-0.2 -0.693 34.9 165.7 -85.6 126.8 -9.7 66.5 9.1 94 96 A F E - d 0 123A 17 28,-2.1 30,-1.9 -2,-0.5 2,-0.2 -0.992 27.5-132.0-139.2 136.7 -12.4 65.0 6.9 95 97 A S E > - d 0 124A 14 -2,-0.3 4,-0.5 28,-0.2 3,-0.3 -0.602 4.3-149.9 -87.0 146.4 -14.8 62.2 7.8 96 98 A T T 4 S+ 0 0 1 28,-2.4 29,-0.1 -2,-0.2 -1,-0.1 0.459 84.5 81.2 -83.5 -4.4 -15.6 59.1 5.7 97 99 A S T 4 S+ 0 0 18 27,-0.4 -1,-0.2 1,-0.1 28,-0.1 0.790 105.5 9.0 -77.8 -31.2 -19.1 59.0 7.1 98 100 A F T 4 S+ 0 0 30 -3,-0.3 2,-0.1 2,-0.1 -2,-0.1 0.787 103.2 77.6-119.6 -47.8 -20.9 61.5 4.9 99 101 A T S < S- 0 0 58 -4,-0.5 -1,-0.0 1,-0.1 -5,-0.0 -0.398 78.5-109.9 -82.7 146.2 -19.0 62.9 1.9 100 102 A E > - 0 0 91 1,-0.1 4,-1.9 -2,-0.1 3,-0.3 -0.435 22.5-126.4 -69.5 140.3 -18.5 61.0 -1.3 101 103 A P H > S+ 0 0 0 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.857 108.1 62.4 -56.9 -34.2 -14.9 59.9 -1.9 102 104 A F H > S+ 0 0 67 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.941 107.1 44.2 -57.5 -45.5 -14.9 61.6 -5.4 103 105 A T H > S+ 0 0 58 -3,-0.3 4,-2.6 2,-0.2 5,-0.2 0.955 116.5 44.1 -63.3 -52.5 -15.4 65.0 -3.7 104 106 A I H X S+ 0 0 4 -4,-1.9 4,-2.7 1,-0.2 5,-0.3 0.893 112.3 54.7 -60.0 -41.9 -12.8 64.4 -0.9 105 107 A S H X S+ 0 0 0 -4,-3.0 4,-2.3 -5,-0.2 -1,-0.2 0.929 112.0 42.6 -58.9 -47.8 -10.4 63.0 -3.4 106 108 A R H X S+ 0 0 117 -4,-2.1 4,-2.9 -5,-0.2 5,-0.2 0.906 113.8 49.9 -67.4 -45.7 -10.6 66.0 -5.6 107 109 A Q H X S+ 0 0 82 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.937 114.5 44.6 -63.1 -45.6 -10.5 68.6 -2.9 108 110 A L H X S+ 0 0 2 -4,-2.7 4,-1.9 -5,-0.2 -2,-0.2 0.927 116.0 46.2 -62.6 -44.1 -7.4 67.0 -1.2 109 111 A M H X S+ 0 0 0 -4,-2.3 4,-2.1 -5,-0.3 -2,-0.2 0.912 110.8 53.1 -67.6 -38.9 -5.6 66.5 -4.5 110 112 A S H X S+ 0 0 50 -4,-2.9 4,-3.0 1,-0.2 5,-0.2 0.940 109.2 48.9 -61.1 -44.8 -6.4 70.1 -5.6 111 113 A L H X S+ 0 0 1 -4,-2.3 4,-2.5 1,-0.2 7,-0.3 0.884 108.4 56.1 -56.1 -41.0 -4.9 71.4 -2.3 112 114 A D H <>S+ 0 0 0 -4,-1.9 5,-2.7 2,-0.2 4,-0.4 0.860 111.3 41.9 -62.0 -38.0 -1.9 69.1 -3.1 113 115 A H H ><5S+ 0 0 81 -4,-2.1 3,-0.9 3,-0.2 -2,-0.2 0.923 114.3 51.0 -73.7 -44.9 -1.4 70.9 -6.5 114 116 A I H 3<5S+ 0 0 95 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.893 116.3 41.9 -56.2 -42.5 -2.1 74.3 -5.1 115 117 A S T 3<5S- 0 0 10 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.459 112.5-113.2 -87.2 -3.2 0.5 73.8 -2.3 116 118 A G T < 5S- 0 0 21 -3,-0.9 -3,-0.2 -4,-0.4 -4,-0.1 0.805 85.1 -37.1 70.8 29.6 3.2 72.0 -4.4 117 119 A G S > - 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0 0 55 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.553 25.5-128.0 -61.8 121.1 -16.0 79.8 37.5 293 295 A I G > S+ 0 0 82 -2,-0.4 3,-1.9 1,-0.3 4,-0.3 0.767 92.3 101.0 -47.8 -30.7 -15.4 77.7 40.6 294 296 A E G > + 0 0 122 1,-0.3 3,-1.6 2,-0.2 -1,-0.3 0.682 67.7 70.4 -13.2 -46.6 -19.1 76.7 40.2 295 297 A N G < + 0 0 57 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.1 0.005 57.1 99.3 -85.7 30.7 -17.7 73.4 38.7 296 298 A A G < S+ 0 0 61 -3,-1.9 -1,-0.3 2,-0.2 -2,-0.2 0.670 77.2 72.6 -59.9 -27.3 -16.5 72.3 42.1 297 299 A V < 0 0 126 -3,-1.6 -2,-0.2 -4,-0.3 -1,-0.2 0.830 360.0 360.0 -54.8 -37.3 -19.8 70.6 41.2 298 300 A T 0 0 130 -3,-0.1 -2,-0.2 14,-0.0 -1,-0.2 0.961 360.0 360.0 -74.3 360.0 -17.9 68.5 38.6 299 ! 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 0.0 300 341 A E 0 0 185 0, 0.0 2,-0.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 62.9 -6.7 60.4 43.1 301 342 A A + 0 0 101 2,-0.0 2,-0.3 1,-0.0 0, 0.0 -0.911 360.0 157.0-104.0 104.1 -4.3 60.6 46.0 302 343 A K - 0 0 147 -2,-0.7 2,-1.5 4,-0.1 4,-0.5 -0.764 21.9-173.0-139.4 90.7 -2.3 63.8 45.6 303 344 A A + 0 0 103 -2,-0.3 -2,-0.0 1,-0.2 0, 0.0 -0.650 41.2 127.6 -83.4 81.1 -0.6 65.4 48.6 304 345 A R S S- 0 0 108 -2,-1.5 -1,-0.2 2,-0.0 -2,-0.0 -0.188 89.8 -99.5-119.6 34.4 0.7 68.6 47.1 305 346 A N + 0 0 160 1,-0.2 2,-0.2 0, 0.0 -2,-0.1 0.798 66.4 175.2 53.5 34.2 -1.1 70.6 49.8 306 347 A L - 0 0 45 -4,-0.5 -1,-0.2 4,-0.1 2,-0.1 -0.502 23.9-140.7 -78.9 135.3 -3.9 71.4 47.4 307 348 A T > - 0 0 75 -2,-0.2 4,-2.7 1,-0.1 5,-0.2 -0.414 30.8-105.2 -80.4 165.7 -7.1 73.2 48.4 308 349 A L H > S+ 0 0 135 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.880 124.0 54.0 -58.5 -40.0 -10.5 72.2 47.2 309 350 A R H > S+ 0 0 147 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.977 111.0 44.8 -56.4 -56.3 -10.5 75.3 44.9 310 351 A E H > S+ 0 0 60 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.869 112.8 51.4 -56.3 -41.0 -7.1 74.2 43.4 311 352 A V H X S+ 0 0 42 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.923 111.6 47.2 -63.6 -44.9 -8.3 70.6 43.1 312 353 A A H X S+ 0 0 16 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.936 113.2 48.8 -60.4 -47.7 -11.5 71.7 41.3 313 354 A Q H X S+ 0 0 8 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.860 111.1 49.4 -62.9 -38.2 -9.4 74.0 39.0 314 355 A E H < S+ 0 0 25 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.804 109.2 51.7 -74.5 -31.2 -6.9 71.2 38.1 315 356 A M H < S+ 0 0 106 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.882 111.4 48.3 -68.9 -37.8 -9.6 68.7 37.3 316 357 A A H < S+ 0 0 50 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.849 133.1 14.3 -69.4 -34.8 -11.2 71.3 35.0 317 358 A F S < S- 0 0 57 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.1 -0.685 84.7-148.7-143.8 83.5 -7.8 72.1 33.3 318 359 A P - 0 0 91 0, 0.0 2,-0.5 0, 0.0 -3,-0.1 -0.140 21.9-112.8 -54.6 145.9 -5.0 69.5 34.0 319 360 A R - 0 0 64 1,-0.1 4,-0.1 -5,-0.1 -38,-0.0 -0.740 31.8-126.0 -82.6 123.1 -1.4 70.6 34.2 320 361 A T - 0 0 29 -2,-0.5 3,-0.2 -50,-0.2 -48,-0.1 -0.253 6.8-132.1 -60.1 152.3 0.7 69.2 31.3 321 362 A L S S+ 0 0 86 1,-0.2 2,-2.0 -50,-0.0 -1,-0.1 0.827 101.6 75.0 -67.0 -31.1 3.9 67.4 32.1 322 363 A F S S+ 0 0 3 -52,-0.0 -50,-1.9 10,-0.0 2,-0.4 -0.338 73.2 121.0 -86.6 58.5 5.5 69.6 29.5 323 364 A I E +m 272 0F 17 -2,-2.0 2,-0.4 -3,-0.2 -50,-0.2 -0.957 45.7 33.3-126.3 135.3 5.6 72.7 31.6 324 365 A G E S+m 273 0F 4 -52,-2.6 -50,-2.5 -2,-0.4 -48,-0.1 -0.951 91.0 10.0 133.0-143.5 8.6 74.8 32.7 325 366 A T > - 0 0 36 -2,-0.4 4,-2.6 -52,-0.2 5,-0.2 -0.314 66.5-114.9 -72.3 156.3 11.9 75.8 31.2 326 367 A P H > S+ 0 0 8 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.872 118.6 55.2 -54.7 -40.7 12.9 75.2 27.6 327 368 A E H > S+ 0 0 116 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.906 109.4 46.0 -61.0 -44.3 15.6 72.9 28.9 328 369 A R H > S+ 0 0 107 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.959 115.1 45.7 -62.5 -52.6 13.0 70.8 30.8 329 370 A V H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.921 114.2 48.3 -60.8 -44.2 10.5 70.7 27.9 330 371 A A H X S+ 0 0 2 -4,-3.0 4,-2.6 -5,-0.2 -1,-0.2 0.905 112.1 50.2 -61.4 -41.0 13.3 69.8 25.4 331 372 A S H X S+ 0 0 65 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.907 110.1 49.0 -66.2 -42.9 14.6 67.1 27.8 332 373 A L H X S+ 0 0 30 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.920 112.1 49.4 -59.7 -45.5 11.2 65.5 28.3 333 374 A I H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.925 111.3 48.6 -60.4 -47.2 10.6 65.5 24.5 334 375 A E H X S+ 0 0 31 -4,-2.6 4,-3.3 1,-0.2 5,-0.2 0.891 111.0 51.8 -58.6 -42.1 14.0 63.9 23.9 335 376 A T H X S+ 0 0 74 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.918 110.0 47.0 -63.1 -46.9 13.2 61.3 26.6 336 377 A W H <>S+ 0 0 10 -4,-2.6 5,-2.5 2,-0.2 6,-0.7 0.908 114.7 49.0 -61.0 -41.3 9.9 60.4 25.0 337 378 A F H ><5S+ 0 0 0 -4,-2.4 3,-2.1 3,-0.2 5,-0.3 0.970 113.2 44.5 -59.9 -57.5 11.7 60.2 21.6 338 379 A N H 3<5S+ 0 0 77 -4,-3.3 -2,-0.2 1,-0.3 -1,-0.2 0.804 110.5 56.5 -61.9 -27.8 14.6 58.0 22.9 339 380 A A T 3<5S- 0 0 26 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.422 114.3-119.0 -79.7 0.9 12.0 55.8 24.7 340 381 A E T < 5S+ 0 0 110 -3,-2.1 -3,-0.2 2,-0.2 -93,-0.1 0.935 80.6 122.0 53.0 50.5 10.2 55.2 21.5 341 382 A A S S- 0 0 16 1,-0.1 3,-2.0 2,-0.1 4,-0.3 -0.587 98.9-108.0 -66.6 120.4 -2.3 79.7 25.7 352 393 A P T 3 S+ 0 0 38 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.250 102.1 22.3 -56.9 135.9 -1.0 82.8 23.9 353 394 A G T 3> S+ 0 0 36 -4,-0.2 4,-2.9 -328,-0.1 5,-0.2 0.154 92.6 108.9 93.6 -15.8 2.7 82.9 23.4 354 395 A T H <> S+ 0 0 10 -3,-2.0 4,-2.3 -5,-0.3 5,-0.2 0.913 79.4 42.0 -62.3 -48.9 3.0 79.1 23.8 355 396 A L H > S+ 0 0 1 -6,-0.4 4,-3.0 -4,-0.3 5,-0.2 0.922 116.8 49.5 -64.8 -43.9 3.9 78.3 20.1 356 397 A D H > S+ 0 0 57 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.922 111.4 48.1 -61.4 -45.6 6.2 81.3 19.9 357 398 A A H X>S+ 0 0 10 -4,-2.9 4,-2.6 2,-0.2 5,-0.7 0.890 113.1 49.2 -62.6 -40.7 8.0 80.3 23.1 358 399 A F H X>S+ 0 0 0 -4,-2.3 5,-1.9 -5,-0.2 4,-1.3 0.940 115.8 41.7 -63.5 -50.4 8.3 76.7 21.8 359 400 A V H <5S+ 0 0 12 -4,-3.0 -2,-0.2 3,-0.2 -1,-0.2 0.909 121.2 42.4 -62.7 -44.0 9.7 77.8 18.5 360 401 A E H <5S+ 0 0 118 -4,-3.1 -2,-0.2 -5,-0.2 -3,-0.2 0.847 131.4 17.8 -74.2 -33.3 12.0 80.4 19.9 361 402 A K H X5S+ 0 0 63 -4,-2.6 4,-0.5 -5,-0.2 -3,-0.2 0.784 125.5 40.4-115.3 -36.5 13.3 78.5 23.0 362 403 A V H X S+ 0 0 42 0, 0.0 4,-2.9 0, 0.0 -1,-0.2 0.855 107.3 53.9 -58.8 -33.2 17.2 75.6 19.2 365 406 A I H X S+ 0 0 29 -4,-0.5 4,-1.8 -3,-0.5 -2,-0.2 0.950 110.2 45.6 -64.7 -47.0 18.0 73.2 22.1 366 407 A L H <>S+ 0 0 1 -4,-1.9 5,-2.6 2,-0.2 6,-1.0 0.859 113.0 51.3 -66.1 -35.3 16.9 70.2 20.0 367 408 A Q H ><5S+ 0 0 36 -4,-2.4 3,-2.6 4,-0.2 -2,-0.2 0.984 108.3 51.2 -60.6 -55.9 18.9 71.6 17.1 368 409 A E H 3<5S+ 0 0 161 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.800 110.7 49.8 -48.3 -37.7 22.0 71.9 19.2 369 410 A R T 3<5S- 0 0 140 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.416 115.9-115.2 -86.6 -0.7 21.6 68.3 20.4 370 411 A G T < 5S+ 0 0 47 -3,-2.6 -3,-0.2 -4,-0.2 -2,-0.1 0.677 87.1 112.6 77.9 18.2 21.2 67.0 16.9 371 412 A L S S- 0 0 10 1,-0.1 4,-2.1 -174,-0.1 -262,-0.2 -0.764 78.1-128.1-108.7 159.9 6.7 68.4 0.2 381 422 A L H > S+ 0 0 0 -264,-2.2 4,-2.1 -2,-0.3 6,-0.2 0.903 110.0 53.4 -69.0 -46.6 5.0 66.8 3.2 382 423 A R H >>S+ 0 0 8 -265,-0.4 5,-3.6 2,-0.2 4,-0.8 0.913 109.6 48.4 -51.8 -48.6 6.3 63.3 2.4 383 424 A E H >45S+ 0 0 83 1,-0.2 3,-0.8 3,-0.2 -2,-0.2 0.925 112.5 47.7 -62.3 -45.3 9.9 64.6 2.2 384 425 A N H 3<5S+ 0 0 12 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.791 113.9 46.3 -70.0 -26.8 9.7 66.4 5.5 385 426 A L H 3<5S- 0 0 2 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.541 116.5-115.3 -84.4 -9.5 8.1 63.4 7.2 386 427 A G T <<5 + 0 0 61 -3,-0.8 2,-0.3 -4,-0.8 -3,-0.2 0.782 68.5 141.3 77.0 30.7 10.8 61.2 5.6 387 428 A L < - 0 0 22 -5,-3.6 -1,-0.3 -6,-0.2 2,-0.2 -0.717 48.4-120.2-101.7 156.3 8.2 59.2 3.6 388 429 A G - 0 0 57 -2,-0.3 -181,-0.0 1,-0.0 -1,-0.0 -0.556 26.1-108.7 -89.8 158.6 8.6 57.9 0.0 389 430 A I - 0 0 80 -2,-0.2 -181,-0.1 1,-0.2 -1,-0.0 -0.779 30.4-158.1 -86.5 121.6 6.4 58.8 -2.9 390 431 A P 0 0 72 0, 0.0 -1,-0.2 0, 0.0 -182,-0.1 0.995 360.0 360.0 -71.1 -69.3 4.2 55.8 -3.7 391 432 A Q 0 0 100 -226,-0.0 -229,-0.0 -225,-0.0 -226,-0.0 -0.077 360.0 360.0 40.6 360.0 3.0 56.1 -7.4