==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 05-NOV-07 2VFV . COMPND 2 MOLECULE: XYLITOL OXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES COELICOLOR; . AUTHOR F.FORNERIS,A.MATTEVI . 418 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16334.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 267 63.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 83 19.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 31 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 68 16.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.0 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 1 1 0 2 1 0 3 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 4 1 1 3 1 0 3 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 . 1 1 0 1 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 0 A F 0 0 234 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -48.9 8.2 12.2 7.9 2 1 A M + 0 0 155 2,-0.0 3,-0.1 3,-0.0 2,-0.0 0.300 360.0 121.5 -89.4 7.3 5.3 14.6 6.9 3 2 A S S S- 0 0 93 1,-0.1 2,-0.2 17,-0.0 0, 0.0 -0.275 72.6 -88.3 -71.3 156.7 4.5 15.7 10.4 4 3 A D - 0 0 112 16,-0.1 2,-0.3 1,-0.0 16,-0.2 -0.428 40.2-160.3 -65.1 131.0 4.5 19.4 11.6 5 4 A I - 0 0 72 14,-2.6 2,-0.5 -2,-0.2 -1,-0.0 -0.784 18.2-122.5-106.8 156.3 7.9 20.7 12.9 6 5 A T - 0 0 97 -2,-0.3 2,-0.5 15,-0.0 13,-0.1 -0.891 25.3-163.4-100.4 126.7 8.2 23.7 15.1 7 6 A V + 0 0 13 11,-0.6 9,-2.5 -2,-0.5 2,-0.3 -0.955 15.7 167.7-112.5 129.4 10.5 26.4 13.6 8 7 A T B -A 15 0A 57 -2,-0.5 7,-0.2 7,-0.2 2,-0.1 -0.814 36.5 -98.9-126.8 171.8 11.9 29.1 15.9 9 8 A N - 0 0 3 5,-1.9 3,-0.5 -2,-0.3 38,-0.2 -0.235 53.0 -88.7 -74.4-179.0 14.5 31.8 15.8 10 9 A W S S+ 0 0 34 36,-2.8 275,-0.4 38,-0.3 37,-0.2 0.915 128.4 42.9 -62.4 -48.8 17.9 31.2 17.4 11 10 A A S S- 0 0 8 35,-0.5 -1,-0.2 37,-0.4 276,-0.1 0.566 105.3-131.0 -73.2 -15.0 17.0 32.5 21.0 12 11 A G S S+ 0 0 37 -3,-0.5 -2,-0.1 34,-0.2 -1,-0.1 0.493 77.3 114.1 78.3 3.9 13.7 30.6 20.7 13 12 A N S S+ 0 0 43 274,-0.2 2,-0.6 1,-0.1 -1,-0.1 0.689 70.6 62.7 -76.9 -18.6 11.5 33.6 21.8 14 13 A I - 0 0 20 34,-0.2 -5,-1.9 36,-0.1 2,-0.6 -0.939 66.2-169.9-111.5 118.7 9.9 33.7 18.3 15 14 A T B -A 8 0A 89 -2,-0.6 -7,-0.2 -7,-0.2 2,-0.1 -0.930 20.5-138.1-103.9 119.9 8.0 30.7 17.1 16 15 A Y - 0 0 7 -9,-2.5 -9,-0.4 -2,-0.6 38,-0.1 -0.396 12.0-128.8 -78.1 154.2 7.1 31.0 13.4 17 16 A T S S+ 0 0 53 -11,-0.1 -1,-0.1 -2,-0.1 41,-0.1 0.711 77.4 110.8 -70.8 -19.9 3.7 30.0 12.0 18 17 A A - 0 0 9 1,-0.1 -11,-0.6 -11,-0.1 -2,-0.1 -0.297 54.9-161.3 -61.7 133.1 5.5 27.8 9.4 19 18 A K S S+ 0 0 84 1,-0.2 -14,-2.6 -13,-0.1 2,-0.3 0.421 79.8 27.4 -92.4 -1.8 5.0 24.1 10.0 20 19 A E S S- 0 0 116 -16,-0.2 2,-0.7 41,-0.1 41,-0.4 -0.971 71.3-134.8-153.9 145.4 8.0 23.3 7.8 21 20 A L - 0 0 22 -2,-0.3 2,-0.3 -3,-0.1 41,-0.2 -0.923 29.9-139.8-100.5 111.0 11.2 25.1 6.8 22 21 A L B -b 62 0B 43 39,-2.2 41,-2.6 -2,-0.7 44,-0.1 -0.554 21.9-178.3 -77.7 129.3 11.5 24.7 3.0 23 22 A R - 0 0 115 -2,-0.3 41,-0.1 39,-0.2 -1,-0.1 -0.682 13.2-156.4-130.1 75.5 15.1 24.0 2.0 24 23 A P - 0 0 14 0, 0.0 42,-0.2 0, 0.0 6,-0.0 -0.231 6.7-149.1 -54.3 136.9 15.2 23.8 -1.9 25 24 A H S S+ 0 0 150 42,-0.1 2,-0.3 40,-0.1 3,-0.1 0.216 74.7 36.8-100.8 16.4 18.2 21.8 -3.0 26 25 A S S > S- 0 0 52 1,-0.1 4,-2.4 41,-0.1 5,-0.1 -0.974 77.7-119.8-155.5 156.6 18.7 23.6 -6.3 27 26 A L H > S+ 0 0 73 -2,-0.3 4,-2.9 2,-0.2 5,-0.2 0.897 117.0 56.5 -60.7 -40.9 18.4 27.1 -7.7 28 27 A D H > S+ 0 0 128 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.934 108.9 46.2 -55.0 -47.3 15.8 25.7 -10.2 29 28 A A H > S+ 0 0 38 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.871 112.3 51.4 -61.1 -40.5 13.7 24.4 -7.2 30 29 A L H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.941 110.1 47.6 -64.8 -45.7 14.2 27.8 -5.4 31 30 A R H X S+ 0 0 73 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.912 115.2 46.6 -61.3 -42.9 13.0 29.8 -8.4 32 31 A A H X S+ 0 0 43 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.929 111.9 50.6 -65.4 -44.4 10.0 27.5 -8.8 33 32 A L H X S+ 0 0 38 -4,-2.9 4,-0.8 2,-0.2 -2,-0.2 0.930 113.7 44.5 -57.6 -48.7 9.2 27.6 -5.0 34 33 A V H >< S+ 0 0 0 -4,-2.9 3,-1.1 1,-0.2 -2,-0.2 0.961 115.1 48.0 -60.9 -52.1 9.3 31.5 -5.0 35 34 A A H 3< S+ 0 0 39 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.858 115.6 45.2 -55.3 -38.5 7.3 31.8 -8.2 36 35 A D H 3< S+ 0 0 139 -4,-2.4 2,-0.4 -5,-0.2 -1,-0.2 0.468 97.5 86.4 -88.1 -8.4 4.7 29.4 -7.0 37 36 A S << - 0 0 12 -3,-1.1 3,-0.1 -4,-0.8 22,-0.1 -0.813 64.5-149.6-100.4 137.5 4.3 30.8 -3.4 38 37 A A S S+ 0 0 89 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.875 85.4 14.7 -71.8 -41.0 1.9 33.6 -2.6 39 38 A R S S- 0 0 123 19,-0.3 21,-3.2 369,-0.1 2,-0.4 -0.999 73.5-174.9-139.4 137.7 4.0 35.1 0.3 40 39 A V E +c 60 0B 1 367,-2.5 2,-0.3 -2,-0.3 21,-0.2 -0.985 12.5 175.5-136.1 139.1 7.6 34.3 1.2 41 40 A R E -c 61 0B 13 19,-2.3 21,-2.4 -2,-0.4 2,-0.4 -0.984 25.1-131.4-134.0 155.4 10.1 35.2 3.8 42 41 A V E -c 62 0B 48 -2,-0.3 2,-0.5 19,-0.2 21,-0.2 -0.811 7.9-148.3-104.0 139.4 13.6 33.8 4.2 43 42 A L E +c 63 0B 16 19,-2.9 21,-0.5 -2,-0.4 72,-0.0 -0.942 19.6 174.0-105.2 128.5 15.2 32.4 7.3 44 43 A G S S- 0 0 33 -2,-0.5 -1,-0.1 19,-0.1 21,-0.1 0.452 70.0 -40.1 -93.2-125.9 18.9 33.0 7.7 45 44 A S S S- 0 0 15 67,-0.1 -2,-0.0 -36,-0.0 -35,-0.0 0.314 77.5-120.1 -92.0 7.9 20.6 31.9 11.0 46 45 A G + 0 0 8 1,-0.1 -36,-2.8 -37,-0.1 -35,-0.5 0.640 66.4 140.3 69.7 17.1 17.7 33.2 13.1 47 46 A H + 0 0 38 -38,-0.2 2,-0.3 -37,-0.2 -1,-0.1 0.091 41.7 102.6 -86.8 26.7 19.7 35.7 15.1 48 47 A S - 0 0 15 2,-0.1 -37,-0.4 1,-0.1 -38,-0.3 -0.715 61.3-153.7 -95.1 162.5 16.8 38.2 14.9 49 48 A F + 0 0 3 326,-2.4 2,-0.2 -2,-0.3 327,-0.1 0.162 68.2 49.9-123.4 14.5 14.6 38.6 18.0 50 49 A N S S- 0 0 18 325,-0.2 3,-0.5 324,-0.1 -2,-0.1 -0.579 102.4 -74.0-140.0-164.4 11.3 39.8 16.5 51 50 A E S > S+ 0 0 118 1,-0.2 3,-1.2 -2,-0.2 361,-0.4 0.118 84.0 117.8 -93.4 24.6 8.8 38.8 13.8 52 51 A I T 3 S+ 0 0 11 1,-0.3 -1,-0.2 322,-0.1 361,-0.2 0.869 81.9 40.6 -59.9 -34.5 11.0 40.0 10.9 53 52 A A T 3 S+ 0 0 7 -3,-0.5 -1,-0.3 -12,-0.1 -2,-0.1 0.519 88.0 115.3 -90.9 -2.5 11.3 36.5 9.4 54 53 A E < - 0 0 15 -3,-1.2 357,-0.3 1,-0.1 358,-0.3 -0.521 45.3-169.1 -76.3 118.3 7.6 35.6 10.1 55 54 A P - 0 0 7 0, 0.0 5,-0.2 0, 0.0 -1,-0.1 0.493 38.7-119.8 -88.0 0.5 5.7 35.0 6.7 56 55 A G > - 0 0 29 3,-0.1 3,-2.5 2,-0.1 -17,-0.1 0.072 53.3 -36.7 80.6 163.6 2.2 34.9 8.4 57 56 A D T 3 S+ 0 0 149 1,-0.3 3,-0.1 -3,-0.1 -39,-0.1 -0.323 137.0 13.3 -60.5 132.6 -0.3 32.0 8.2 58 57 A G T 3 S+ 0 0 86 1,-0.3 -19,-0.3 -41,-0.1 -1,-0.3 0.265 100.5 126.3 83.1 -12.4 -0.1 30.3 4.8 59 58 A G < - 0 0 12 -3,-2.5 2,-0.5 -21,-0.1 -1,-0.3 -0.467 62.6-117.4 -75.9 151.3 3.1 32.2 4.1 60 59 A V E - c 0 40B 27 -21,-3.2 -19,-2.3 -5,-0.2 2,-0.6 -0.772 19.1-160.8 -91.3 129.3 6.2 30.2 3.0 61 60 A L E + c 0 41B 2 -2,-0.5 -39,-2.2 -41,-0.4 2,-0.3 -0.960 21.7 178.2-106.1 116.0 9.3 30.3 5.2 62 61 A L E -bc 22 42B 0 -21,-2.4 -19,-2.9 -2,-0.6 2,-0.3 -0.852 14.4-161.5-120.4 158.7 12.3 29.2 3.1 63 62 A S E - c 0 43B 11 -41,-2.6 3,-0.3 -2,-0.3 -19,-0.1 -0.885 24.9-137.7-131.0 157.4 16.1 28.8 3.8 64 63 A L S > S+ 0 0 17 -21,-0.5 3,-1.9 -2,-0.3 21,-0.2 0.301 77.4 106.7 -91.9 7.2 19.2 28.5 1.6 65 64 A A T 3 S+ 0 0 73 1,-0.3 -1,-0.2 -21,-0.1 4,-0.1 0.698 73.3 57.6 -64.1 -19.5 20.6 25.8 3.9 66 65 A G T 3 S+ 0 0 15 -3,-0.3 -1,-0.3 -42,-0.2 -2,-0.1 0.520 94.4 80.9 -86.7 -10.2 19.8 23.1 1.2 67 66 A L S < S- 0 0 29 -3,-1.9 -41,-0.1 1,-0.1 -42,-0.1 -0.725 96.9 -91.2 -93.5 148.9 22.0 24.8 -1.5 68 67 A P - 0 0 108 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 -0.313 37.6-130.5 -55.5 138.0 25.8 24.5 -1.6 69 68 A S - 0 0 85 -4,-0.1 2,-0.4 16,-0.1 -4,-0.0 -0.860 31.8-171.4 -97.0 106.5 27.5 27.3 0.4 70 69 A V - 0 0 84 -2,-0.8 13,-1.7 2,-0.0 2,-0.5 -0.800 19.5-173.1-108.5 138.6 30.1 28.8 -1.9 71 70 A V E -D 82 0C 27 -2,-0.4 2,-0.7 11,-0.2 11,-0.2 -0.913 13.0-174.6-132.1 103.3 32.8 31.4 -1.1 72 71 A D E -D 81 0C 88 9,-3.1 9,-2.3 -2,-0.5 2,-0.4 -0.841 4.3-164.7-116.7 99.1 34.6 32.5 -4.2 73 72 A V E -D 80 0C 23 -2,-0.7 2,-0.7 7,-0.2 7,-0.2 -0.653 10.9-163.0 -88.0 130.5 37.5 34.8 -3.8 74 73 A D E >> -D 79 0C 81 5,-3.0 5,-2.0 -2,-0.4 4,-1.0 -0.946 9.9-169.9-108.5 103.2 39.0 36.8 -6.7 75 74 A T T 45S+ 0 0 76 -2,-0.7 3,-0.2 1,-0.2 -1,-0.2 0.893 81.2 48.9 -65.5 -41.9 42.4 37.7 -5.3 76 75 A A T 45S+ 0 0 94 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.872 117.6 40.6 -66.4 -40.4 43.3 40.2 -8.0 77 76 A A T 45S- 0 0 54 2,-0.1 -1,-0.2 99,-0.0 -2,-0.2 0.608 104.8-131.7 -81.0 -12.7 40.0 42.0 -7.8 78 77 A R T <5 + 0 0 126 -4,-1.0 99,-2.6 1,-0.2 2,-0.3 0.922 64.0 125.2 54.4 48.3 40.0 41.8 -4.0 79 78 A T E < -DE 74 176C 18 -5,-2.0 -5,-3.0 97,-0.2 2,-0.4 -0.902 47.3-156.2-127.8 161.4 36.4 40.6 -4.0 80 79 A V E -DE 73 175C 0 95,-2.0 95,-2.8 -2,-0.3 2,-0.5 -0.985 6.2-154.5-137.0 128.1 34.5 37.6 -2.7 81 80 A R E -DE 72 174C 109 -9,-2.3 -9,-3.1 -2,-0.4 2,-0.3 -0.924 26.2-179.7 -97.9 122.5 31.2 36.2 -4.0 82 81 A V E -DE 71 173C 0 91,-3.1 91,-2.3 -2,-0.5 -11,-0.2 -0.932 31.1-110.4-129.5 144.0 29.4 34.4 -1.2 83 82 A G E > - E 0 172C 12 -13,-1.7 3,-1.2 -2,-0.3 30,-0.3 -0.393 33.7-118.2 -66.8 151.4 26.1 32.6 -1.0 84 83 A G T 3 S+ 0 0 3 87,-2.3 30,-1.5 1,-0.3 31,-0.6 0.737 113.9 53.6 -67.4 -19.9 23.5 34.4 1.1 85 84 A G T 3 S+ 0 0 26 86,-0.3 -1,-0.3 -21,-0.2 -16,-0.1 0.550 80.9 112.5 -89.4 -11.5 23.4 31.5 3.6 86 85 A V < - 0 0 4 -3,-1.2 27,-2.7 -16,-0.1 28,-0.2 -0.398 64.4-134.0 -58.7 137.9 27.2 31.5 4.2 87 86 A R B > -H 112 0D 115 25,-0.3 4,-2.1 26,-0.1 3,-0.4 -0.621 17.4-113.5 -95.2 158.3 28.1 32.5 7.7 88 87 A Y H > S+ 0 0 7 23,-2.0 4,-2.9 21,-0.4 5,-0.2 0.815 111.0 64.6 -62.7 -30.8 30.8 35.0 8.6 89 88 A A H > S+ 0 0 26 20,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.953 110.8 36.9 -52.9 -50.5 33.0 32.4 10.3 90 89 A E H > S+ 0 0 81 -3,-0.4 4,-2.4 2,-0.2 5,-0.2 0.909 114.6 54.4 -72.5 -43.8 33.5 30.5 7.0 91 90 A L H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 5,-0.3 0.945 111.7 46.3 -50.9 -48.6 33.6 33.6 4.9 92 91 A A H X S+ 0 0 1 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.918 110.3 52.3 -65.4 -45.0 36.5 35.0 7.1 93 92 A R H X S+ 0 0 144 -4,-2.1 4,-1.8 -5,-0.2 -1,-0.2 0.921 113.1 44.8 -53.5 -50.7 38.4 31.6 7.2 94 93 A V H X S+ 0 0 29 -4,-2.4 4,-0.8 2,-0.2 -2,-0.2 0.927 115.1 44.6 -67.0 -48.7 38.4 31.4 3.4 95 94 A V H ><>S+ 0 0 0 -4,-2.5 5,-2.4 -5,-0.2 3,-1.1 0.927 111.0 55.6 -64.7 -37.2 39.3 35.1 2.6 96 95 A H H ><5S+ 0 0 65 -4,-2.7 3,-2.0 1,-0.3 -1,-0.2 0.914 102.4 56.0 -59.5 -42.0 42.1 35.0 5.3 97 96 A A H 3<5S+ 0 0 58 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.728 105.6 53.1 -60.7 -23.1 43.6 31.9 3.6 98 97 A R T <<5S- 0 0 139 -3,-1.1 -1,-0.3 -4,-0.8 -2,-0.2 0.323 124.1-104.4 -93.2 4.7 43.8 34.1 0.4 99 98 A G T < 5S+ 0 0 40 -3,-2.0 81,-2.4 1,-0.3 2,-0.2 0.695 85.9 112.0 81.7 19.3 45.7 36.9 2.2 100 99 A L E < -I 179 0E 11 -5,-2.4 -1,-0.3 79,-0.3 2,-0.3 -0.727 42.2-172.7-125.1 175.0 42.6 39.1 2.4 101 100 A A E -I 178 0E 0 77,-2.0 77,-2.4 -2,-0.2 79,-0.0 -0.980 25.4-111.2-161.2 158.2 40.2 40.5 5.0 102 101 A L - 0 0 3 -2,-0.3 75,-0.1 75,-0.2 3,-0.1 -0.705 28.7-127.7 -92.7 153.0 37.0 42.3 5.8 103 102 A P S S+ 0 0 30 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.661 86.8 4.4 -74.3 -16.8 37.2 45.8 7.5 104 103 A N - 0 0 9 27,-0.1 2,-0.3 26,-0.1 21,-0.0 -0.994 56.6-162.5-158.6 164.7 34.8 44.7 10.2 105 104 A M - 0 0 5 -2,-0.3 19,-0.3 19,-0.1 17,-0.0 -0.965 29.2-108.4-141.4 159.4 32.8 41.8 11.8 106 105 A A - 0 0 12 -2,-0.3 17,-0.2 2,-0.2 18,-0.1 -0.083 47.3 -90.3 -73.2-177.0 29.9 41.6 14.2 107 106 A S S S+ 0 0 35 15,-0.3 169,-1.7 167,-0.2 168,-1.6 0.788 113.7 34.8 -69.6 -28.7 30.4 40.3 17.8 108 107 A L S S- 0 0 20 166,-0.2 -1,-0.2 167,-0.2 -2,-0.2 -0.999 70.0-150.3-135.8 124.7 29.7 36.6 16.9 109 108 A P S S+ 0 0 8 0, 0.0 -20,-1.9 0, 0.0 2,-1.4 0.565 75.9 87.9 -76.3 -13.4 30.8 35.1 13.6 110 109 A H + 0 0 33 -22,-0.2 2,-0.3 -23,-0.1 -23,-0.0 -0.292 65.3 104.7 -88.2 55.0 28.1 32.4 13.3 111 110 A I S S- 0 0 29 -2,-1.4 -23,-2.0 -3,-0.1 -22,-0.1 -0.971 75.5-102.3-137.2 140.4 25.5 34.5 11.5 112 111 A S B > -H 87 0D 3 -2,-0.3 4,-2.0 -25,-0.2 -25,-0.3 -0.298 21.0-132.6 -69.1 152.6 24.5 34.5 7.8 113 112 A V H > S+ 0 0 0 -27,-2.7 4,-2.4 -30,-0.3 5,-0.2 0.963 105.6 43.6 -68.9 -52.1 25.9 37.2 5.4 114 113 A A H > S+ 0 0 20 -30,-1.5 4,-1.6 -28,-0.2 -1,-0.2 0.903 115.4 48.9 -60.5 -42.9 22.5 38.0 3.8 115 114 A G H > S+ 0 0 32 -31,-0.6 4,-0.6 1,-0.2 -1,-0.2 0.892 111.5 51.0 -65.2 -38.6 20.6 38.0 7.1 116 115 A S H >X>S+ 0 0 2 -4,-2.0 5,-1.9 1,-0.2 3,-1.1 0.947 113.1 41.9 -62.8 -50.8 23.2 40.2 8.7 117 116 A V H 3<5S+ 0 0 2 -4,-2.4 3,-0.5 1,-0.2 -1,-0.2 0.785 102.5 71.6 -73.2 -20.8 23.3 42.9 6.0 118 117 A A H 3<5S+ 0 0 19 -4,-1.6 46,-1.8 -5,-0.2 -1,-0.2 0.746 107.4 33.9 -61.3 -26.8 19.4 42.8 5.7 119 118 A T H <<5S- 0 0 13 -3,-1.1 255,-1.0 -4,-0.6 256,-0.3 0.457 119.7 -93.5-116.7 -5.3 19.0 44.5 9.1 120 119 A G T <5 - 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0 0 14 1,-0.1 5,-0.1 2,-0.1 -2,-0.1 -0.452 61.1-106.8 -61.6 123.4 8.7 52.2 18.4 381 380 A P > - 0 0 61 0, 0.0 4,-2.5 0, 0.0 3,-0.2 -0.207 26.6-115.6 -56.1 144.5 5.3 52.9 16.9 382 381 A A H > S+ 0 0 47 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.868 111.6 45.7 -50.3 -50.2 5.2 52.3 13.1 383 382 A G H > S+ 0 0 37 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.894 113.8 48.9 -64.6 -39.9 4.4 56.0 12.0 384 383 A E H 4 S+ 0 0 83 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.891 111.8 51.1 -64.7 -39.0 7.1 57.4 14.4 385 384 A L H >< S+ 0 0 10 -4,-2.5 3,-1.7 1,-0.2 4,-0.2 0.930 105.7 53.7 -65.3 -46.2 9.5 54.8 13.0 386 385 A R H >< S+ 0 0 75 -4,-2.5 3,-1.4 1,-0.3 6,-0.2 0.859 101.2 62.0 -56.6 -35.9 8.8 55.7 9.3 387 386 A A T 3< S+ 0 0 86 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.644 93.5 64.4 -65.2 -17.2 9.6 59.4 10.1 388 387 A L T < S+ 0 0 42 -3,-1.7 -1,-0.2 -4,-0.4 -2,-0.2 0.482 88.8 74.5 -87.8 -3.3 13.2 58.5 11.1 389 388 A Y X - 0 0 7 -3,-1.4 3,-1.8 -4,-0.2 4,-0.3 -0.894 60.0-166.5-120.1 99.8 14.2 57.3 7.6 390 389 A P T 3 S+ 0 0 93 0, 0.0 3,-0.3 0, 0.0 4,-0.2 0.810 90.5 40.5 -52.6 -37.4 14.8 60.1 5.0 391 390 A R T 3> S+ 0 0 93 -60,-0.4 4,-2.2 1,-0.2 5,-0.1 0.063 77.6 114.9-106.2 24.5 14.8 57.8 2.0 392 391 A L H <> S+ 0 0 18 -3,-1.8 4,-2.8 -6,-0.2 5,-0.2 0.903 76.6 52.2 -58.6 -43.7 11.9 55.5 3.0 393 392 A A H > S+ 0 0 82 -3,-0.3 4,-2.4 -4,-0.3 -1,-0.2 0.913 108.3 51.9 -62.4 -39.0 9.7 56.6 0.1 394 393 A D H > S+ 0 0 73 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.923 110.2 49.6 -61.5 -43.3 12.6 55.8 -2.3 395 394 A F H X S+ 0 0 1 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.933 109.1 50.6 -59.5 -48.1 12.8 52.4 -0.7 396 395 A G H X S+ 0 0 26 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.885 108.9 52.6 -59.6 -37.4 9.1 51.7 -1.0 397 396 A A H X S+ 0 0 67 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.911 110.5 48.0 -62.3 -42.8 9.2 52.7 -4.7 398 397 A L H X S+ 0 0 11 -4,-2.1 4,-2.6 2,-0.2 5,-0.3 0.933 111.8 47.9 -63.8 -47.4 12.1 50.2 -5.2 399 398 A A H X S+ 0 0 5 -4,-2.8 4,-2.5 1,-0.2 7,-0.2 0.917 111.7 52.3 -58.8 -43.0 10.2 47.4 -3.4 400 399 A G H < S+ 0 0 38 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.837 111.0 47.1 -61.5 -35.6 7.1 48.2 -5.5 401 400 A A H < S+ 0 0 78 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.906 120.4 35.7 -72.4 -45.9 9.1 48.0 -8.7 402 401 A L H < S+ 0 0 24 -4,-2.6 -259,-0.6 1,-0.2 -2,-0.2 0.751 135.7 21.5 -80.7 -24.0 10.8 44.7 -7.9 403 402 A D >< + 0 0 5 -4,-2.5 3,-1.7 -5,-0.3 -1,-0.2 -0.598 67.2 172.7-146.2 69.2 7.9 43.1 -6.0 404 403 A P T 3 S+ 0 0 111 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.838 82.3 46.1 -57.6 -34.3 4.6 44.8 -7.1 405 404 A A T 3 S- 0 0 94 1,-0.0 -5,-0.1 -5,-0.0 4,-0.0 0.522 109.9-120.5 -84.9 -3.4 2.4 42.3 -5.2 406 405 A G X + 0 0 13 -3,-1.7 3,-1.4 -7,-0.2 -6,-0.1 0.873 52.2 160.9 64.3 37.3 4.5 42.5 -2.0 407 406 A K T 3 S+ 0 0 27 1,-0.2 -367,-2.5 -368,-0.1 -240,-0.1 0.870 80.1 40.8 -50.0 -41.1 5.3 38.7 -2.1 408 407 A F T 3 S+ 0 0 1 -242,-0.3 2,-0.7 -369,-0.2 -1,-0.2 0.320 92.7 101.9 -95.2 5.9 8.2 39.5 0.3 409 408 A T < + 0 0 17 -3,-1.4 2,-0.1 -6,-0.1 -244,-0.1 -0.831 48.8 175.5 -91.5 113.1 6.3 42.0 2.4 410 409 A N > - 0 0 8 -2,-0.7 4,-3.1 -358,-0.1 5,-0.2 -0.399 52.2 -82.0-101.1-172.4 5.2 40.5 5.8 411 410 A A H > S+ 0 0 73 -357,-0.3 4,-1.8 2,-0.2 5,-0.1 0.912 130.4 53.1 -59.5 -41.4 3.5 42.3 8.7 412 411 A F H > S+ 0 0 34 -361,-0.4 4,-0.8 -358,-0.3 3,-0.3 0.962 115.7 38.0 -56.3 -55.6 6.9 43.6 10.0 413 412 A V H >> S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 3,-0.7 0.857 108.7 63.6 -65.5 -36.1 7.8 45.1 6.6 414 413 A R H 3X S+ 0 0 111 -4,-3.1 4,-0.7 1,-0.3 -1,-0.2 0.891 98.9 55.0 -59.2 -39.8 4.3 46.3 5.9 415 414 A G H 3< S+ 0 0 24 -4,-1.8 -1,-0.3 -3,-0.3 -2,-0.2 0.819 111.3 45.6 -60.3 -33.0 4.5 48.6 8.9 416 415 A V H << S+ 0 0 8 -4,-0.8 -2,-0.2 -3,-0.7 -1,-0.2 0.827 114.1 46.7 -76.6 -38.4 7.6 50.2 7.4 417 416 A L H < 0 0 53 -4,-2.3 -2,-0.2 -22,-0.1 -1,-0.2 0.449 360.0 360.0 -85.9 0.0 6.2 50.5 3.9 418 417 A A < 0 0 88 -4,-0.7 -3,-0.1 -5,-0.2 -22,-0.1 0.106 360.0 360.0 -71.6 360.0 2.9 52.1 5.1