==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 08-MAR-06 2GAH . COMPND 2 MOLECULE: HETEROTETRAMERIC SARCOSINE OXIDASE ALPHA-SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: STENOTROPHOMONAS MALTOPHILIA; . AUTHOR Z.W.CHEN,A.HASSAN-ABDULAH,G.ZHAO,M.S.JORNS,F.S.MATHEWS . 1649 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 55186.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1124 68.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 84 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 324 19.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 12 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 0.7 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 . 144 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 182 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 302 18.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 27 1.6 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 3 1 3 7 4 1 1 2 2 6 1 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 2 6 4 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 14 7 7 12 7 8 6 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 6 3 1 3 3 2 1 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 1 A X 0 0 176 0, 0.0 284,-0.1 0, 0.0 372,-0.0 0.000 360.0 360.0 360.0 29.8 53.9 -14.2 -30.0 2 2 A S + 0 0 34 282,-0.1 283,-0.2 283,-0.1 284,-0.1 0.623 360.0 99.7 -12.7 -64.3 51.8 -14.8 -26.9 3 3 A K S S- 0 0 148 281,-0.1 46,-0.1 1,-0.1 2,-0.1 0.039 72.5-129.3 -42.0 129.3 53.6 -12.5 -24.6 4 4 A P - 0 0 2 0, 0.0 2,-0.3 0, 0.0 279,-0.2 -0.437 35.4-176.5 -75.3 157.0 52.1 -9.0 -24.0 5 5 A Q E -A 282 0A 111 277,-1.9 277,-2.9 42,-0.1 2,-0.3 -0.997 31.0-100.0-156.2 160.4 54.5 -6.1 -24.5 6 6 A R E -A 281 0A 33 40,-1.1 275,-0.3 -2,-0.3 274,-0.1 -0.586 40.7-129.5 -79.5 140.3 55.0 -2.4 -24.3 7 7 A L - 0 0 15 273,-3.1 5,-0.1 -2,-0.3 -1,-0.1 -0.380 34.0 -88.4 -82.9 168.6 54.7 -0.6 -27.7 8 8 A S > - 0 0 51 1,-0.1 3,-0.9 -2,-0.1 4,-0.2 -0.334 38.2-108.3 -72.3 161.8 57.4 1.8 -28.8 9 9 A A G > S+ 0 0 54 1,-0.3 3,-1.7 2,-0.2 6,-0.2 0.899 121.3 57.9 -57.6 -40.2 57.1 5.5 -27.8 10 10 A E G 3 S+ 0 0 162 1,-0.3 3,-0.4 2,-0.2 -1,-0.3 0.771 108.8 44.8 -61.9 -27.3 56.3 6.3 -31.5 11 11 A Q G < S+ 0 0 88 -3,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.275 117.1 45.6-100.1 10.6 53.3 3.9 -31.3 12 12 A S X + 0 0 13 -3,-1.7 3,-1.6 -4,-0.2 -1,-0.2 -0.115 61.0 140.3-144.1 41.3 52.1 5.1 -28.0 13 13 A S T 3 S+ 0 0 109 -3,-0.4 -3,-0.1 1,-0.3 -2,-0.1 0.713 76.3 51.6 -60.3 -21.7 52.2 8.9 -28.1 14 14 A R T 3 S+ 0 0 72 -3,-0.1 -1,-0.3 2,-0.0 263,-0.1 0.496 79.0 126.0 -94.8 -5.0 48.9 9.1 -26.2 15 15 A A < - 0 0 17 -3,-1.6 264,-0.2 -6,-0.2 263,-0.2 -0.212 62.1-134.1 -56.5 141.5 49.8 6.9 -23.3 16 16 A R S S+ 0 0 87 262,-2.7 2,-0.3 152,-0.2 -1,-0.1 -0.035 73.7 104.4 -87.9 32.4 49.4 8.4 -19.8 17 17 A I S S- 0 0 20 20,-0.1 2,-0.8 261,-0.0 20,-0.2 -0.780 72.2-126.9-110.8 158.0 52.8 7.2 -18.7 18 18 A N E > -B 36 0B 72 18,-2.2 3,-2.6 -2,-0.3 18,-0.7 -0.840 17.5-172.3-107.6 95.0 55.9 9.3 -18.3 19 19 A R E 3 S+ 0 0 72 -2,-0.8 3,-0.2 1,-0.3 -1,-0.1 0.574 84.8 66.0 -62.2 -6.8 58.7 7.6 -20.3 20 20 A E E 3 S+ 0 0 171 1,-0.2 2,-0.4 16,-0.1 -1,-0.3 0.494 97.5 55.8 -92.8 -5.4 61.0 10.1 -18.7 21 21 A E E < S- 0 0 77 -3,-2.6 15,-2.0 15,-0.1 -3,-0.2 -0.711 74.1-171.4-129.3 82.9 60.5 8.6 -15.3 22 22 A A E -B 35 0B 70 -2,-0.4 2,-0.3 -3,-0.2 13,-0.3 -0.453 4.5-168.0 -72.9 143.6 61.3 4.9 -15.3 23 23 A L E -B 34 0B 10 11,-2.7 11,-2.8 -2,-0.1 2,-0.4 -0.943 11.0-141.8-131.7 152.7 60.5 2.9 -12.2 24 24 A S E +B 33 0B 45 -2,-0.3 77,-1.9 9,-0.2 78,-0.8 -0.921 25.0 165.5-116.7 143.5 61.4 -0.6 -11.1 25 25 A L E -Bc 32 102B 0 7,-1.8 7,-3.7 -2,-0.4 2,-0.4 -0.942 24.8-134.0-147.4 169.7 59.1 -3.0 -9.2 26 26 A T E -Bc 31 103B 30 76,-2.6 78,-2.9 -2,-0.3 2,-0.4 -0.995 13.9-176.9-134.3 132.3 58.9 -6.7 -8.3 27 27 A V E > S-Bc 30 104B 5 3,-1.6 3,-1.1 -2,-0.4 78,-0.2 -0.986 78.8 -17.3-130.1 120.8 56.0 -9.1 -8.6 28 28 A D T 3 S- 0 0 93 76,-2.1 77,-0.1 -2,-0.4 -1,-0.1 0.866 130.9 -49.9 52.9 40.3 56.4 -12.7 -7.4 29 29 A G T 3 S+ 0 0 65 75,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.683 109.0 127.4 75.6 19.0 60.1 -12.3 -7.4 30 30 A A E < -B 27 0B 41 -3,-1.1 -3,-1.6 2,-0.0 2,-0.5 -0.941 59.3-131.2-114.3 122.5 60.3 -10.9 -10.9 31 31 A K E -B 26 0B 177 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.571 33.5-169.9 -69.2 116.9 62.2 -7.6 -11.7 32 32 A L E -B 25 0B 11 -7,-3.7 -7,-1.8 -2,-0.5 2,-0.5 -0.799 17.6-137.4-112.6 154.0 59.8 -5.5 -13.8 33 33 A S E +B 24 0B 76 -2,-0.3 2,-0.2 10,-0.2 -9,-0.2 -0.922 34.8 156.2-109.6 132.5 60.4 -2.3 -15.7 34 34 A A E -B 23 0B 2 -11,-2.8 -11,-2.7 -2,-0.5 2,-0.3 -0.817 31.7-128.5-143.2-178.0 57.7 0.4 -15.5 35 35 A F E > -B 22 0B 37 -13,-0.3 3,-2.3 -2,-0.2 -13,-0.2 -0.948 43.3 -85.8-135.0 153.1 57.0 4.2 -15.9 36 36 A R E 3 S+B 18 0B 54 -15,-2.0 -18,-2.2 -18,-0.7 -15,-0.1 -0.404 118.5 42.3 -57.9 131.5 55.3 6.6 -13.6 37 37 A G T 3 S+ 0 0 40 1,-0.5 -1,-0.3 61,-0.4 -21,-0.1 0.057 88.0 118.6 116.2 -25.1 51.6 6.3 -14.4 38 38 A D < - 0 0 3 -3,-2.3 60,-2.4 60,-0.1 -1,-0.5 -0.294 52.9-145.1 -71.2 158.6 51.6 2.5 -14.7 39 39 A T B > -F 97 0C 12 58,-0.2 4,-2.3 -3,-0.1 5,-0.2 -0.687 35.6-102.4-112.5 169.1 49.5 0.3 -12.4 40 40 A V H > S+ 0 0 0 56,-1.7 4,-2.1 53,-0.8 54,-0.2 0.889 125.3 53.4 -61.8 -33.6 50.8 -3.1 -11.3 41 41 A A H > S+ 0 0 0 52,-2.0 4,-2.0 55,-0.2 -1,-0.2 0.935 109.6 43.5 -65.4 -49.9 48.5 -4.5 -14.0 42 42 A S H > S+ 0 0 0 51,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.870 113.9 53.2 -65.4 -34.2 49.8 -2.4 -16.9 43 43 A A H X S+ 0 0 0 -4,-2.3 4,-1.3 2,-0.2 -10,-0.2 0.891 106.4 52.2 -67.0 -41.1 53.4 -3.1 -15.7 44 44 A L H <>S+ 0 0 4 -4,-2.1 5,-2.7 -5,-0.2 3,-0.5 0.954 113.4 42.9 -59.8 -50.4 52.8 -6.8 -15.7 45 45 A L H ><5S+ 0 0 3 -4,-2.0 3,-2.0 1,-0.2 -2,-0.2 0.892 109.4 57.3 -63.3 -41.6 51.5 -6.9 -19.2 46 46 A A H 3<5S+ 0 0 14 -4,-2.3 -40,-1.1 1,-0.3 -1,-0.2 0.788 107.9 49.3 -60.2 -28.5 54.2 -4.5 -20.4 47 47 A N T 3<5S- 0 0 50 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.187 125.6 -99.5 -97.6 15.1 56.8 -6.9 -19.1 48 48 A G T < 5S+ 0 0 10 -3,-2.0 2,-0.7 1,-0.2 -3,-0.2 0.618 77.4 136.9 80.4 14.3 55.2 -9.9 -20.9 49 49 A V < + 0 0 47 -5,-2.7 -1,-0.2 -6,-0.2 -2,-0.1 -0.847 15.3 161.8 -98.5 113.8 53.4 -11.4 -17.9 50 50 A R + 0 0 7 -2,-0.7 14,-1.1 -3,-0.1 215,-0.2 0.820 49.1 82.0 -97.8 -37.8 49.9 -12.5 -18.8 51 51 A R B -G 63 0D 77 12,-0.2 12,-0.3 213,-0.1 2,-0.2 -0.466 53.1-171.5 -76.5 137.9 49.0 -14.9 -15.9 52 52 A A - 0 0 7 10,-2.9 10,-0.5 1,-0.3 22,-0.1 -0.328 53.6 -48.7-105.3-167.4 47.7 -13.6 -12.6 53 53 A G S S- 0 0 11 54,-0.4 -1,-0.3 20,-0.3 54,-0.1 -0.310 70.6 -98.2 -65.1 153.3 47.2 -15.9 -9.6 54 54 A N - 0 0 39 1,-0.1 -1,-0.1 7,-0.1 5,-0.1 -0.223 56.0 -73.5 -66.1 162.9 45.3 -19.2 -10.3 55 55 A S - 0 0 10 5,-2.8 4,-0.3 1,-0.1 -1,-0.1 -0.084 40.9-115.6 -58.7 158.6 41.6 -19.4 -9.4 56 56 A L S S+ 0 0 14 431,-0.4 -1,-0.1 2,-0.1 432,-0.1 0.876 100.1 5.4 -63.4 -46.4 40.4 -19.6 -5.8 57 57 A Y S S+ 0 0 41 910,-0.1 -1,-0.1 911,-0.0 432,-0.1 0.808 134.2 40.9-110.8 -43.6 38.8 -23.0 -5.8 58 58 A L S S- 0 0 87 2,-0.0 -2,-0.1 910,-0.0 -3,-0.1 0.547 93.2-133.8 -84.9 -8.1 39.3 -24.8 -9.1 59 59 A D + 0 0 106 -4,-0.3 -3,-0.1 1,-0.2 -5,-0.1 0.878 44.3 168.5 56.6 39.9 42.9 -23.6 -9.3 60 60 A R - 0 0 36 1,-0.1 -5,-2.8 -7,-0.1 -1,-0.2 -0.530 43.7 -99.9 -82.1 147.7 42.4 -22.6 -12.9 61 61 A P - 0 0 33 0, 0.0 2,-0.3 0, 0.0 -7,-0.1 -0.458 51.4-178.7 -66.4 143.1 45.0 -20.5 -14.8 62 62 A R - 0 0 2 -10,-0.5 -10,-2.9 201,-0.1 2,-0.3 -0.947 13.2-165.8-141.3 161.4 43.8 -16.9 -14.8 63 63 A G B -G 51 0D 3 199,-0.3 10,-0.2 -12,-0.3 -12,-0.2 -0.871 45.1 -63.3-140.8 173.1 45.0 -13.6 -16.2 64 64 A I - 0 0 4 -14,-1.1 201,-0.4 -2,-0.3 3,-0.1 -0.404 49.9-179.5 -57.0 132.4 44.3 -9.8 -15.9 65 65 A F + 0 0 5 202,-0.1 203,-2.5 199,-0.1 206,-0.2 0.702 55.6 12.3-110.0 -31.3 40.7 -9.5 -17.2 66 66 A A - 0 0 0 201,-0.2 8,-0.0 2,-0.1 3,-0.0 -0.533 59.7-127.7-130.9-162.6 40.0 -5.7 -17.0 67 67 A A S S+ 0 0 13 -2,-0.2 2,-0.1 -3,-0.1 -25,-0.1 0.355 83.6 39.0-133.6 -2.2 41.7 -2.4 -16.4 68 68 A G S > S- 0 0 7 92,-0.0 3,-1.5 27,-0.0 26,-0.2 -0.400 109.5 -53.2-129.5-154.3 39.6 -0.9 -13.6 69 69 A V T 3 S+ 0 0 23 1,-0.3 454,-0.1 -2,-0.1 26,-0.1 0.564 119.0 72.8 -67.1 -8.6 37.8 -1.7 -10.4 70 70 A E T 3 + 0 0 23 453,-0.1 -1,-0.3 452,-0.1 450,-0.1 0.331 66.3 132.8 -88.7 9.3 35.9 -4.5 -12.1 71 71 A E < + 0 0 1 -3,-1.5 452,-0.1 1,-0.2 -7,-0.1 -0.414 29.0 176.4 -61.6 124.3 39.0 -6.6 -12.2 72 72 A P + 0 0 2 0, 0.0 -1,-0.2 0, 0.0 447,-0.1 0.739 68.9 34.2-103.4 -25.5 38.1 -10.1 -10.9 73 73 A N S S+ 0 0 15 -10,-0.2 2,-1.2 1,-0.2 -20,-0.3 0.887 97.6 69.4 -98.3 -48.1 41.3 -12.1 -11.3 74 74 A A + 0 0 0 -11,-0.2 19,-2.6 -22,-0.1 20,-0.5 -0.635 57.5 152.9 -84.5 92.6 44.5 -10.0 -10.7 75 75 A L E -D 92 0B 2 -2,-1.2 32,-3.0 32,-0.4 2,-0.3 -0.877 19.2-171.8-114.6 148.9 44.6 -9.2 -7.0 76 76 A V E -DE 91 106B 0 15,-2.7 15,-2.3 -2,-0.3 2,-0.6 -0.941 28.6-127.4-141.7 162.6 47.8 -8.5 -5.1 77 77 A T E - E 0 105B 11 28,-2.2 28,-1.7 -2,-0.3 2,-0.5 -0.961 30.9-148.6-108.1 119.6 49.3 -7.9 -1.7 78 78 A V E -DE 88 104B 2 10,-3.2 10,-2.2 -2,-0.6 26,-0.2 -0.819 11.9-131.6 -93.4 124.2 51.4 -4.7 -1.8 79 79 A S - 0 0 28 24,-2.6 24,-0.3 -2,-0.5 8,-0.1 -0.433 42.8 -78.8 -72.3 148.1 54.4 -4.7 0.5 80 80 A A - 0 0 40 1,-0.2 -1,-0.2 5,-0.1 7,-0.1 -0.143 36.2-149.6 -44.8 133.3 54.9 -1.6 2.7 81 81 A R S S- 0 0 35 5,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.631 72.7 -15.6 -84.5 -13.4 56.3 1.2 0.5 82 82 A H S > S- 0 0 37 144,-0.1 3,-1.1 4,-0.0 -1,-0.2 -0.961 88.6 -68.7-171.5 178.7 58.2 2.7 3.5 83 83 A E T 3 S+ 0 0 193 1,-0.3 2,-0.1 -2,-0.3 -3,-0.0 0.778 124.2 57.3 -55.1 -31.9 58.5 2.8 7.3 84 84 A Q T 3 S+ 0 0 97 34,-0.1 2,-0.3 35,-0.1 -1,-0.3 -0.139 104.9 65.6 -93.6 40.4 55.1 4.5 7.7 85 85 A D < - 0 0 9 -3,-1.1 2,-0.3 -2,-0.1 -5,-0.1 -0.949 59.9-158.5-152.3 165.9 53.3 1.7 5.8 86 86 A I - 0 0 8 -2,-0.3 -5,-0.2 -7,-0.1 2,-0.1 -0.877 42.7 -70.5-141.0 172.1 52.4 -2.0 6.1 87 87 A D - 0 0 59 -2,-0.3 27,-0.5 -7,-0.1 2,-0.4 -0.454 45.1-163.2 -68.2 138.2 51.5 -4.8 3.7 88 88 A E E -D 78 0B 12 -10,-2.2 -10,-3.2 -2,-0.1 3,-0.3 -0.996 9.5-161.2-127.3 125.9 48.0 -4.4 2.2 89 89 A S E + 0 0 4 -2,-0.4 -12,-0.2 1193,-0.3 22,-0.1 -0.544 58.0 35.1-107.8 169.8 46.3 -7.3 0.6 90 90 A X E S+ 0 0 5 1,-0.2 -1,-0.2 -2,-0.2 -13,-0.2 0.797 74.0 150.4 60.9 33.6 43.4 -8.1 -1.9 91 91 A L E -D 76 0B 33 -15,-2.3 -15,-2.7 -3,-0.3 2,-0.3 -0.807 53.4-111.4 -97.7 134.3 44.0 -5.0 -3.9 92 92 A P E >> -D 75 0B 24 0, 0.0 3,-2.5 0, 0.0 4,-0.6 -0.482 17.1-142.7 -65.0 123.6 43.2 -5.0 -7.7 93 93 A A G >4 S+ 0 0 0 -19,-2.6 -52,-2.0 -2,-0.3 -53,-0.8 0.815 100.1 67.1 -55.5 -29.1 46.4 -4.9 -9.6 94 94 A T G 34 S+ 0 0 4 -20,-0.5 -1,-0.3 1,-0.2 -25,-0.1 0.609 108.4 35.3 -68.2 -14.2 44.5 -2.7 -12.0 95 95 A T G <4 S+ 0 0 66 -3,-2.5 -1,-0.2 -27,-0.1 -2,-0.2 0.344 89.0 105.5-121.8 3.9 44.3 0.1 -9.4 96 96 A V << - 0 0 4 -3,-0.7 -56,-1.7 -4,-0.6 2,-0.3 -0.773 67.6-135.8 -87.8 118.7 47.6 -0.2 -7.6 97 97 A P B -F 39 0C 23 0, 0.0 2,-0.3 0, 0.0 -58,-0.2 -0.571 18.8-119.7 -75.8 134.1 49.9 2.7 -8.6 98 98 A V - 0 0 3 -60,-2.4 -61,-0.4 -2,-0.3 2,-0.3 -0.576 36.7-179.7 -75.0 132.3 53.4 1.6 -9.4 99 99 A T > - 0 0 1 -2,-0.3 3,-1.9 -63,-0.1 125,-0.1 -0.821 42.8 -65.7-124.8 165.2 55.9 3.4 -7.1 100 100 A E T 3 S- 0 0 85 -2,-0.3 -75,-0.1 1,-0.3 -77,-0.1 -0.294 117.8 -5.5 -58.3 131.5 59.7 3.1 -7.0 101 101 A D T 3 S+ 0 0 116 -77,-1.9 -1,-0.3 1,-0.2 -76,-0.2 0.746 89.8 173.6 55.4 27.9 60.9 -0.4 -6.0 102 102 A L E < -c 25 0B 4 -3,-1.9 -76,-2.6 -78,-0.8 2,-0.4 -0.341 15.2-157.3 -62.5 145.0 57.4 -1.4 -5.3 103 103 A N E +c 26 0B 66 -24,-0.3 -24,-2.6 -78,-0.2 2,-0.3 -0.994 17.0 167.8-129.3 135.1 57.0 -5.1 -4.4 104 104 A A E -cE 27 78B 2 -78,-2.9 -76,-2.1 -2,-0.4 2,-0.4 -0.971 23.4-145.7-145.3 159.5 53.9 -7.2 -4.8 105 105 A T E - E 0 77B 57 -28,-1.7 -28,-2.2 -2,-0.3 2,-0.2 -0.993 25.2-120.5-129.5 133.1 52.6 -10.7 -4.8 106 106 A L E - E 0 76B 22 -2,-0.4 -30,-0.2 -30,-0.2 2,-0.2 -0.528 31.1-148.7 -74.7 136.3 49.8 -12.2 -6.9 107 107 A L - 0 0 15 -32,-3.0 -32,-0.4 -2,-0.2 -54,-0.4 -0.565 18.6-143.4-103.5 166.5 46.9 -13.6 -5.0 108 108 A S S S- 0 0 51 2,-0.4 -49,-0.1 -2,-0.2 -34,-0.1 -0.399 72.3 -73.4-122.9 49.9 44.4 -16.4 -5.6 109 109 A G S S+ 0 0 7 -36,-0.2 2,-0.5 1,-0.1 1110,-0.2 0.398 109.5 99.8 77.6 -1.8 41.3 -14.8 -4.0 110 110 A L - 0 0 38 1108,-0.1 -2,-0.4 1110,-0.0 1110,-0.2 -0.958 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41.8-119.8 -68.1 140.8 41.3 16.6 -29.0 180 180 A S H > S+ 0 0 0 -7,-2.3 4,-2.7 1,-0.2 5,-0.2 0.852 111.7 53.4 -53.1 -40.9 39.5 15.0 -26.1 181 181 A S H > S+ 0 0 23 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.897 111.5 46.3 -63.1 -38.7 42.7 14.8 -23.9 182 182 A A H > S+ 0 0 34 -3,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.860 111.1 53.0 -70.0 -35.3 43.3 18.5 -24.4 183 183 A W H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.925 108.5 49.4 -65.4 -44.2 39.6 19.2 -23.7 184 184 A I H X S+ 0 0 9 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.937 110.1 51.1 -58.0 -48.5 39.8 17.2 -20.4 185 185 A E H X S+ 0 0 129 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.874 110.5 50.2 -56.5 -41.6 43.0 19.2 -19.4 186 186 A Q H X S+ 0 0 79 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.920 110.6 47.7 -65.5 -46.1 41.1 22.5 -20.2 187 187 A V H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.912 111.4 50.4 -63.4 -42.1 38.1 21.6 -18.1 188 188 A T H X S+ 0 0 31 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.848 108.3 53.4 -65.7 -32.8 40.2 20.5 -15.1 189 189 A S H X S+ 0 0 70 -4,-1.6 4,-2.4 -5,-0.2 -1,-0.2 0.905 109.8 48.2 -68.0 -40.0 42.2 23.7 -15.3 190 190 A E H X S+ 0 0 71 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.944 109.6 51.3 -63.9 -50.1 38.9 25.7 -15.2 191 191 A L H < S+ 0 0 1 -4,-2.5 6,-0.3 1,-0.2 -1,-0.2 0.881 111.6 48.8 -54.9 -39.6 37.6 23.7 -12.2 192 192 A A H < S+ 0 0 77 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.923 112.1 47.5 -67.3 -44.0 40.9 24.4 -10.4 193 193 A E H < S+ 0 0 154 -4,-2.4 2,-0.3 -5,-0.1 -2,-0.2 0.802 89.9 98.8 -66.8 -30.3 40.7 28.1 -11.2 194 194 A A S >< S- 0 0 20 -4,-2.6 3,-1.3 1,-0.1 -45,-0.1 -0.447 71.8-144.4 -62.7 121.6 37.1 28.2 -10.0 195 195 A E T 3 S+ 0 0 169 -2,-0.3 -1,-0.1 1,-0.3 -42,-0.0 0.865 95.2 37.2 -55.9 -43.6 37.1 29.6 -6.5 196 196 A E T 3 S+ 0 0 60 -48,-0.2 -42,-2.6 -44,-0.1 2,-0.5 0.125 96.9 98.1-100.8 22.0 34.2 27.4 -5.2 197 197 A T E < -k 154 0F 12 -3,-1.3 2,-0.5 -6,-0.3 -42,-0.2 -0.934 50.6-167.0-114.4 130.1 35.0 24.2 -7.1 198 198 A T E -k 155 0F 60 -44,-3.0 -42,-2.7 -2,-0.5 2,-0.5 -0.958 2.0-167.6-115.3 130.2 36.8 21.3 -5.6 199 199 A H E -k 156 0F 48 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524 A T T 4 S+ 0 0 5 -270,-0.1 -1,-0.2 -4,-0.1 4,-0.1 0.427 133.6 44.7-123.9 -4.7 31.0 -8.4 -14.1 525 525 A S T > S+ 0 0 0 3,-0.1 4,-2.3 2,-0.1 5,-0.2 0.625 90.6 76.5-115.4 -19.4 29.0 -11.4 -12.8 526 526 A G H X S+ 0 0 17 -4,-2.1 4,-2.0 2,-0.2 -3,-0.1 0.968 105.4 32.6 -58.8 -58.2 25.8 -10.0 -11.5 527 527 A V H > S+ 0 0 23 -5,-0.4 4,-2.5 1,-0.2 5,-0.2 0.859 116.2 58.5 -69.6 -34.1 24.0 -9.3 -14.7 528 528 A A H > S+ 0 0 10 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.909 106.8 49.6 -60.3 -40.0 25.6 -12.3 -16.4 529 529 A A H X S+ 0 0 6 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.955 108.2 52.3 -62.9 -50.6 24.1 -14.4 -13.6 530 530 A I H X S+ 0 0 5 -4,-2.0 4,-3.0 1,-0.2 5,-0.2 0.915 109.0 49.9 -51.5 -48.8 20.6 -12.9 -14.2 531 531 A G H X S+ 0 0 2 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.877 110.8 49.9 -60.1 -38.0 20.8 -13.7 -17.9 532 532 A V H X S+ 0 0 0 -4,-1.8 4,-2.9 2,-0.2 5,-0.2 0.918 111.0 48.8 -66.9 -43.1 21.8 -17.3 -17.2 533 533 A I H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.957 111.3 50.0 -59.9 -50.2 18.9 -17.7 -14.7 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0.0 3,-0.1 -0.473 9.5-140.3 -76.1 143.9 49.0 3.8 47.0 604 604 A Q > - 0 0 119 4,-0.2 3,-2.6 1,-0.2 8,-0.1 -0.572 50.6 -62.4 -93.8 165.1 52.1 4.7 49.0 605 605 A A T 3 S+ 0 0 110 1,-0.3 -1,-0.2 -2,-0.2 3,-0.1 -0.232 126.6 9.2 -50.7 125.2 55.5 3.3 47.8 606 606 A G T 3 S+ 0 0 80 1,-0.3 2,-0.3 -3,-0.1 -1,-0.3 0.477 97.4 129.4 83.9 1.8 55.3 -0.5 48.1 607 607 A E < - 0 0 46 -3,-2.6 -1,-0.3 4,-0.1 2,-0.2 -0.698 49.0-143.5 -92.7 143.6 51.6 -0.8 48.8 608 608 A T > - 0 0 78 -2,-0.3 4,-2.4 -3,-0.1 5,-0.2 -0.514 36.4-100.8 -91.5 169.2 49.3 -3.0 46.8 609 609 A X H > S+ 0 0 42 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.930 124.6 53.3 -57.1 -45.8 45.8 -1.7 46.1 610 610 A D H > S+ 0 0 87 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.889 110.0 46.9 -56.0 -43.3 44.4 -3.8 49.0 611 611 A Q H > S+ 0 0 105 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.896 113.0 49.1 -67.9 -40.3 46.9 -2.4 51.5 612 612 A A H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.954 114.4 44.8 -63.1 -49.8 46.2 1.2 50.3 613 613 A V H X S+ 0 0 11 -4,-3.0 4,-2.6 1,-0.2 5,-0.2 0.859 110.8 53.9 -63.1 -37.1 42.5 0.7 50.6 614 614 A Y H X S+ 0 0 98 -4,-2.2 4,-1.2 -5,-0.3 -1,-0.2 0.908 113.5 43.8 -64.0 -40.5 42.8 -1.0 54.0 615 615 A R H X S+ 0 0 60 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.932 116.5 44.5 -68.6 -49.6 44.8 2.0 55.2 616 616 A E H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 5,-0.2 0.914 109.8 55.2 -62.2 -46.8 42.5 4.7 53.7 617 617 A S H X S+ 0 0 1 -4,-2.6 4,-0.9 -5,-0.2 -1,-0.2 0.862 114.3 41.2 -56.3 -37.8 39.3 3.0 54.8 618 618 A K H X S+ 0 0 81 -4,-1.2 4,-2.4 -5,-0.2 -2,-0.2 0.910 110.9 56.5 -76.7 -44.6 40.6 3.0 58.4 619 619 A A H X S+ 0 0 9 -4,-2.7 4,-3.1 1,-0.2 5,-0.3 0.897 101.4 56.7 -54.7 -46.4 42.1 6.5 58.3 620 620 A V H < S+ 0 0 0 -4,-2.5 115,-0.2 1,-0.2 -1,-0.2 0.917 113.7 38.8 -54.1 -48.0 38.8 8.1 57.3 621 621 A R H < S+ 0 0 2 -4,-0.9 -1,-0.2 -5,-0.2 -2,-0.2 0.831 118.0 50.0 -73.5 -32.7 37.0 6.8 60.3 622 622 A D H < S- 0 0 93 -4,-2.4 -2,-0.2 -5,-0.1 -3,-0.2 0.958 137.1 -28.9 -71.2 -50.9 39.9 7.3 62.7 623 623 A S S < S- 0 0 22 -4,-3.1 112,-2.8 -5,-0.2 113,-0.3 0.502 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108,-0.2 1,-0.1 291,-0.0 -0.284 72.2-121.3 -80.3 163.8 22.4 -12.2 11.2 1030 66 B T - 0 0 22 2,-0.1 216,-0.1 106,-0.1 -1,-0.1 0.280 45.4-121.3 -88.9 14.0 26.1 -12.5 12.3 1031 67 B T + 0 0 10 1,-0.2 104,-0.5 103,-0.1 2,-0.3 0.463 53.8 158.1 64.4 9.3 25.6 -16.2 13.0 1032 68 B I - 0 0 13 102,-0.2 291,-0.4 100,-0.0 2,-0.4 -0.459 18.0-172.4 -72.4 129.2 26.6 -16.2 16.7 1033 69 B I B +L 1133 0W 0 100,-3.1 100,-2.9 -2,-0.3 2,-0.3 -0.976 23.6 122.2-122.8 132.6 25.3 -19.1 18.8 1034 70 B R - 0 0 5 -2,-0.4 16,-0.1 98,-0.2 15,-0.1 -0.953 46.3-143.2-170.2 179.0 25.5 -19.4 22.6 1035 71 B S + 0 0 0 -2,-0.3 2,-1.9 62,-0.1 12,-0.2 0.118 51.7 130.4-146.2 20.6 23.4 -19.8 25.7 1036 72 B N + 0 0 3 10,-0.1 2,-0.3 328,-0.1 52,-0.1 -0.510 32.1 143.1 -82.9 74.6 25.2 -17.6 28.2 1037 73 B Y - 0 0 4 -2,-1.9 6,-0.1 2,-0.1 59,-0.1 -0.809 51.4-127.4-112.2 156.9 22.3 -15.6 29.6 1038 74 B L S S+ 0 0 37 -2,-0.3 -1,-0.1 322,-0.1 323,-0.1 0.927 78.7 73.4 -69.5 -53.7 21.7 -14.4 33.1 1039 75 B W S > S- 0 0 66 321,-0.2 4,-2.6 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