==== 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 2VFR . 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) . 16393.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 263 62.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.9 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 . 28 6.7 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 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 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 0 236 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -39.8 8.2 12.1 7.9 2 1 A M + 0 0 148 2,-0.0 3,-0.1 3,-0.0 0, 0.0 0.381 360.0 125.6 -93.4 2.1 5.5 14.5 7.0 3 2 A S - 0 0 95 1,-0.1 2,-0.0 17,-0.0 0, 0.0 -0.245 69.4 -94.2 -66.8 150.4 4.6 15.6 10.5 4 3 A D - 0 0 119 16,-0.1 2,-0.3 1,-0.0 16,-0.2 -0.306 41.2-161.6 -55.8 139.5 4.6 19.3 11.5 5 4 A I - 0 0 90 14,-2.6 2,-0.5 -3,-0.1 -1,-0.0 -0.839 19.3-115.2-118.9 163.1 7.8 20.7 13.1 6 5 A T - 0 0 94 -2,-0.3 2,-0.5 15,-0.0 13,-0.1 -0.875 26.7-164.4-100.8 128.9 8.4 23.8 15.2 7 6 A V + 0 0 10 11,-0.5 9,-2.5 -2,-0.5 2,-0.3 -0.974 16.8 164.0-114.0 127.2 10.5 26.4 13.6 8 7 A T B -A 15 0A 58 -2,-0.5 7,-0.2 7,-0.2 2,-0.1 -0.804 37.9 -97.6-129.8 172.7 12.0 29.2 15.8 9 8 A N - 0 0 4 5,-1.8 3,-0.5 -2,-0.3 38,-0.2 -0.233 52.8 -89.4 -77.1 179.7 14.7 31.8 15.8 10 9 A W S S+ 0 0 33 36,-2.8 275,-0.5 38,-0.3 37,-0.2 0.940 128.0 43.2 -64.6 -45.7 18.1 31.2 17.5 11 10 A A S S- 0 0 7 35,-0.5 -1,-0.2 37,-0.4 276,-0.1 0.587 104.4-131.7 -77.2 -12.4 17.1 32.5 20.9 12 11 A G S S+ 0 0 37 -3,-0.5 -2,-0.1 34,-0.2 -1,-0.1 0.489 76.5 114.3 77.4 3.8 13.8 30.7 20.7 13 12 A N S S+ 0 0 46 274,-0.2 2,-0.5 1,-0.1 -1,-0.1 0.691 71.1 61.8 -76.8 -15.9 11.6 33.6 21.8 14 13 A I - 0 0 14 34,-0.2 -5,-1.8 36,-0.1 2,-0.6 -0.953 65.6-170.7-115.2 118.0 10.0 33.7 18.3 15 14 A T B -A 8 0A 86 -2,-0.5 -7,-0.2 -7,-0.2 2,-0.1 -0.947 20.8-139.0-104.2 118.5 8.0 30.7 17.1 16 15 A Y - 0 0 6 -9,-2.5 -9,-0.4 -2,-0.6 38,-0.0 -0.382 13.3-126.4 -75.4 156.8 7.1 31.0 13.4 17 16 A T S S+ 0 0 55 -11,-0.1 41,-0.1 -2,-0.1 -1,-0.1 0.691 79.0 109.1 -72.1 -19.9 3.7 29.9 12.1 18 17 A A - 0 0 10 1,-0.1 -11,-0.5 -11,-0.1 -2,-0.1 -0.384 54.8-161.8 -62.3 135.0 5.5 27.7 9.5 19 18 A K S S+ 0 0 82 1,-0.1 -14,-2.6 -13,-0.1 2,-0.3 0.395 78.9 28.2 -99.2 2.8 5.2 24.0 10.1 20 19 A E S S- 0 0 118 -16,-0.2 2,-0.7 41,-0.1 41,-0.4 -0.968 70.9-135.7-153.6 150.9 8.1 23.2 7.9 21 20 A L - 0 0 59 -2,-0.3 2,-0.3 39,-0.1 41,-0.2 -0.942 31.0-135.9-104.2 111.1 11.2 25.1 6.8 22 21 A L B -b 62 0B 46 39,-2.4 41,-2.7 -2,-0.7 44,-0.1 -0.578 21.5-174.2 -79.9 136.7 11.6 24.6 3.1 23 22 A R - 0 0 140 -2,-0.3 41,-0.1 39,-0.2 -1,-0.1 -0.603 9.1-159.8-128.6 66.6 15.1 23.8 2.0 24 23 A P - 0 0 14 0, 0.0 42,-0.2 0, 0.0 6,-0.1 -0.147 7.0-151.4 -57.4 138.3 15.3 23.7 -1.8 25 24 A H S S+ 0 0 131 42,-0.1 2,-0.3 40,-0.1 3,-0.1 0.243 73.7 35.9 -97.9 11.4 18.3 21.7 -3.0 26 25 A S S > S- 0 0 48 1,-0.1 4,-2.2 41,-0.1 5,-0.1 -0.976 77.9-119.2-153.8 158.3 18.8 23.5 -6.3 27 26 A L H > S+ 0 0 73 -2,-0.3 4,-2.7 2,-0.2 5,-0.2 0.850 116.7 56.8 -65.7 -34.0 18.5 27.0 -7.6 28 27 A D H > S+ 0 0 126 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.930 108.5 46.4 -59.1 -48.0 15.9 25.7 -10.1 29 28 A A H > S+ 0 0 38 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.875 111.6 51.7 -63.2 -38.0 13.8 24.4 -7.2 30 29 A L H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.928 109.0 49.3 -65.8 -44.9 14.2 27.7 -5.4 31 30 A R H X S+ 0 0 76 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.909 113.5 47.0 -58.7 -43.9 13.0 29.7 -8.3 32 31 A A H X S+ 0 0 42 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.914 111.6 50.4 -66.3 -42.1 10.0 27.4 -8.7 33 32 A L H X S+ 0 0 39 -4,-2.5 4,-0.8 2,-0.2 -2,-0.2 0.934 113.0 46.1 -62.1 -43.5 9.2 27.6 -5.0 34 33 A V H >< S+ 0 0 0 -4,-2.8 3,-1.1 1,-0.2 -2,-0.2 0.962 114.6 47.0 -63.7 -49.5 9.4 31.4 -5.0 35 34 A A H 3< S+ 0 0 41 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.846 115.3 45.9 -59.1 -37.3 7.3 31.7 -8.2 36 35 A D H 3< S+ 0 0 135 -4,-2.3 2,-0.4 -5,-0.2 -1,-0.3 0.471 97.3 86.3 -87.4 -8.0 4.6 29.3 -7.0 37 36 A S << - 0 0 13 -3,-1.1 3,-0.1 -4,-0.8 22,-0.1 -0.810 64.6-149.2 -98.7 137.1 4.3 30.7 -3.4 38 37 A A S S+ 0 0 88 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.892 85.2 14.7 -72.1 -38.5 1.9 33.6 -2.6 39 38 A R S S- 0 0 126 19,-0.3 21,-3.0 369,-0.1 2,-0.3 -0.998 73.5-175.7-140.1 137.8 3.9 35.0 0.3 40 39 A V E +c 60 0B 1 367,-2.6 2,-0.3 -2,-0.3 21,-0.2 -0.986 12.3 175.4-135.9 141.6 7.6 34.3 1.1 41 40 A R E -c 61 0B 12 19,-2.3 21,-2.3 -2,-0.3 2,-0.4 -0.982 25.6-130.1-134.8 154.7 10.2 35.1 3.8 42 41 A V E -c 62 0B 50 -2,-0.3 2,-0.5 19,-0.2 21,-0.2 -0.796 8.2-150.8-101.2 136.8 13.7 33.7 4.2 43 42 A L + 0 0 16 19,-2.9 21,-0.5 -2,-0.4 72,-0.0 -0.958 20.2 172.1-101.0 125.4 15.2 32.3 7.4 44 43 A G S S- 0 0 36 -2,-0.5 -1,-0.1 19,-0.1 21,-0.1 0.396 70.1 -37.3 -93.2-123.8 19.0 32.8 7.7 45 44 A S S S- 0 0 18 67,-0.0 -2,-0.0 1,-0.0 40,-0.0 0.395 78.1-119.9 -92.3 10.3 20.7 31.8 10.9 46 45 A G + 0 0 8 -37,-0.1 -36,-2.8 1,-0.1 -35,-0.5 0.603 65.1 141.8 67.9 17.2 17.8 33.2 13.1 47 46 A H + 0 0 39 -38,-0.2 2,-0.2 -37,-0.2 -1,-0.1 0.091 41.8 100.9 -85.1 26.1 19.8 35.8 15.0 48 47 A S - 0 0 16 2,-0.1 -37,-0.4 1,-0.1 -38,-0.3 -0.660 60.8-154.4 -94.8 163.3 16.9 38.2 14.9 49 48 A F + 0 0 4 326,-2.2 2,-0.2 -2,-0.2 327,-0.2 0.197 68.1 52.1-124.8 14.6 14.7 38.7 18.0 50 49 A N S S- 0 0 18 325,-0.3 3,-0.5 324,-0.1 -2,-0.1 -0.526 101.3 -74.5-138.5-166.8 11.4 39.8 16.5 51 50 A E S > S+ 0 0 89 1,-0.2 3,-1.7 -2,-0.2 361,-0.3 0.275 84.4 116.7 -86.1 16.3 8.9 38.9 13.8 52 51 A I T 3 S+ 0 0 10 1,-0.3 -1,-0.2 322,-0.2 361,-0.2 0.835 81.1 39.4 -59.8 -35.4 11.1 40.0 10.8 53 52 A A T 3 S+ 0 0 7 -3,-0.5 -1,-0.3 -12,-0.1 -2,-0.1 0.516 87.6 114.4 -90.7 -1.4 11.3 36.5 9.3 54 53 A E < - 0 0 20 -3,-1.7 357,-0.3 1,-0.1 358,-0.3 -0.490 45.7-168.2 -76.0 122.5 7.6 35.5 10.1 55 54 A P - 0 0 7 0, 0.0 5,-0.2 0, 0.0 -1,-0.1 0.496 38.3-118.5 -90.5 1.2 5.7 35.0 6.8 56 55 A G > - 0 0 30 3,-0.1 3,-2.5 2,-0.1 -17,-0.1 0.051 52.8 -36.5 81.9 164.2 2.2 34.8 8.3 57 56 A D T 3 S+ 0 0 149 1,-0.3 3,-0.1 -3,-0.1 -39,-0.1 -0.338 136.5 13.6 -59.0 131.9 -0.3 32.0 8.3 58 57 A G T 3 S+ 0 0 87 1,-0.3 -19,-0.3 -41,-0.1 -1,-0.3 0.295 100.7 126.6 83.5 -11.4 -0.1 30.2 4.9 59 58 A G < - 0 0 11 -3,-2.5 2,-0.4 -21,-0.1 -1,-0.3 -0.495 61.9-116.8 -77.0 154.0 3.2 32.0 4.1 60 59 A V E - c 0 40B 28 -21,-3.0 -19,-2.3 -2,-0.2 2,-0.6 -0.755 19.4-163.0 -94.6 127.2 6.3 30.1 3.0 61 60 A L E + c 0 41B 2 -2,-0.4 -39,-2.4 -41,-0.4 2,-0.3 -0.965 21.8 176.9-105.7 118.2 9.4 30.2 5.2 62 61 A L E -bc 22 42B 0 -21,-2.3 -19,-2.9 -2,-0.6 2,-0.3 -0.860 14.7-159.9-124.4 158.3 12.4 29.0 3.2 63 62 A S - 0 0 10 -41,-2.7 3,-0.4 -2,-0.3 -19,-0.1 -0.921 24.3-137.1-132.0 156.1 16.1 28.7 3.8 64 63 A L S > S+ 0 0 17 -21,-0.5 3,-2.2 -2,-0.3 21,-0.2 0.317 77.6 106.1 -88.4 5.1 19.3 28.5 1.6 65 64 A A T 3 S+ 0 0 56 1,-0.3 -1,-0.2 -21,-0.1 4,-0.1 0.662 73.4 58.5 -65.9 -15.3 20.7 25.7 3.9 66 65 A G T 3 S+ 0 0 15 -3,-0.4 -1,-0.3 -42,-0.2 -2,-0.1 0.475 94.8 78.1 -87.0 -11.2 19.9 23.1 1.2 67 66 A L S < S- 0 0 30 -3,-2.2 -41,-0.1 1,-0.1 -42,-0.1 -0.730 97.6 -89.1 -94.8 152.0 22.1 24.8 -1.5 68 67 A P - 0 0 105 0, 0.0 2,-0.8 0, 0.0 17,-0.1 -0.336 36.2-131.9 -57.1 139.1 25.9 24.6 -1.6 69 68 A S - 0 0 82 -4,-0.1 2,-0.4 16,-0.1 18,-0.0 -0.878 32.4-171.9 -97.7 109.0 27.6 27.3 0.5 70 69 A V - 0 0 77 -2,-0.8 13,-1.9 2,-0.0 2,-0.4 -0.848 19.5-172.4-113.7 139.7 30.3 28.8 -1.9 71 70 A V E -D 82 0C 28 -2,-0.4 2,-0.7 11,-0.2 11,-0.2 -0.904 11.8-176.8-135.8 99.3 33.0 31.3 -1.0 72 71 A D E -D 81 0C 91 9,-3.0 9,-2.3 -2,-0.4 2,-0.4 -0.847 5.6-164.8-113.2 103.3 34.8 32.5 -4.2 73 72 A V E -D 80 0C 5 -2,-0.7 2,-0.7 7,-0.2 7,-0.3 -0.697 10.4-161.8 -91.2 130.3 37.8 34.9 -3.7 74 73 A D E >> -D 79 0C 83 5,-2.9 5,-1.8 -2,-0.4 4,-1.0 -0.930 10.4-169.1-105.8 106.3 39.2 36.8 -6.7 75 74 A T T 45S+ 0 0 65 -2,-0.7 3,-0.5 1,-0.2 -1,-0.2 0.916 80.9 49.3 -70.2 -40.6 42.6 37.8 -5.2 76 75 A A T 45S+ 0 0 92 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.877 117.4 41.4 -66.6 -35.9 43.6 40.3 -8.0 77 76 A A T 45S- 0 0 51 2,-0.1 -1,-0.2 99,-0.0 -2,-0.2 0.585 104.4-132.3 -81.7 -14.5 40.2 42.0 -7.8 78 77 A R T <5 + 0 0 126 -4,-1.0 99,-2.5 -3,-0.5 2,-0.3 0.937 63.9 123.5 53.4 51.1 40.2 41.8 -3.9 79 78 A T E < -DE 74 176C 19 -5,-1.8 -5,-2.9 97,-0.2 2,-0.4 -0.932 47.5-155.6-129.9 162.6 36.6 40.6 -3.9 80 79 A V E -DE 73 175C 0 95,-2.1 95,-2.8 -2,-0.3 2,-0.6 -0.990 6.2-154.1-138.8 130.0 34.7 37.6 -2.6 81 80 A R E +DE 72 174C 104 -9,-2.3 -9,-3.0 -2,-0.4 2,-0.4 -0.910 25.4 178.8-100.0 124.4 31.4 36.2 -4.0 82 81 A V E -DE 71 173C 2 91,-3.1 91,-2.1 -2,-0.6 -11,-0.2 -0.940 32.6-109.4-130.0 146.5 29.5 34.3 -1.3 83 82 A G E > - E 0 172C 16 -13,-1.9 3,-1.4 -2,-0.4 30,-0.3 -0.380 35.0-117.5 -62.6 149.3 26.2 32.5 -1.0 84 83 A G T 3 S+ 0 0 2 87,-1.8 30,-1.7 1,-0.3 31,-0.6 0.727 114.2 52.6 -64.4 -22.1 23.6 34.4 1.1 85 84 A G T 3 S+ 0 0 28 86,-0.3 -1,-0.3 -21,-0.2 2,-0.1 0.445 81.4 111.8 -92.0 -10.5 23.5 31.5 3.6 86 85 A V < - 0 0 4 -3,-1.4 27,-3.0 -16,-0.1 28,-0.3 -0.469 65.1-134.4 -58.8 141.1 27.3 31.4 4.1 87 86 A R B > -H 112 0D 114 25,-0.3 4,-2.1 26,-0.1 3,-0.4 -0.649 16.8-111.2-100.5 158.6 28.2 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 0.835 110.3 63.3 -61.4 -32.5 30.9 35.0 8.6 89 88 A A H > S+ 0 0 25 20,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.950 110.5 38.0 -59.4 -45.5 33.2 32.4 10.3 90 89 A E H > S+ 0 0 84 -3,-0.4 4,-2.3 2,-0.2 5,-0.3 0.910 114.1 55.1 -72.2 -43.0 33.7 30.5 7.1 91 90 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 5,-0.2 0.949 110.7 46.6 -50.4 -52.8 33.9 33.6 5.0 92 91 A A H X S+ 0 0 1 -4,-2.9 4,-2.6 1,-0.2 5,-0.2 0.916 109.8 52.7 -61.6 -42.3 36.7 34.9 7.2 93 92 A R H X S+ 0 0 145 -4,-2.0 4,-1.8 -5,-0.2 -1,-0.2 0.925 113.0 44.5 -55.9 -50.5 38.7 31.6 7.2 94 93 A V H X S+ 0 0 30 -4,-2.3 4,-0.8 2,-0.2 -1,-0.2 0.915 114.9 45.5 -68.2 -45.7 38.7 31.4 3.4 95 94 A V H ><>S+ 0 0 0 -4,-2.4 5,-2.3 -5,-0.3 3,-0.9 0.927 110.6 54.8 -68.0 -36.3 39.6 35.1 2.7 96 95 A H H ><5S+ 0 0 66 -4,-2.6 3,-2.2 1,-0.3 -1,-0.2 0.908 102.9 56.4 -61.4 -41.6 42.3 35.0 5.4 97 96 A A H 3<5S+ 0 0 85 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.756 105.2 52.7 -62.0 -22.6 43.9 32.0 3.7 98 97 A R T <<5S- 0 0 119 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.345 124.5-105.2 -93.0 7.5 44.1 34.1 0.5 99 98 A G T < 5S+ 0 0 41 -3,-2.2 81,-2.4 1,-0.3 2,-0.2 0.685 85.1 112.8 78.0 22.2 45.9 36.9 2.4 100 99 A L E < -I 179 0E 10 -5,-2.3 2,-0.3 79,-0.3 -1,-0.3 -0.683 42.0-171.8-128.0 172.3 42.8 39.1 2.5 101 100 A A E -I 178 0E 0 77,-1.8 77,-2.4 -2,-0.2 -9,-0.0 -0.993 24.4-112.7-160.7 156.2 40.4 40.5 5.1 102 101 A L - 0 0 2 -2,-0.3 75,-0.1 75,-0.2 3,-0.1 -0.687 28.2-127.5 -88.8 155.2 37.2 42.3 5.9 103 102 A P S S+ 0 0 31 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.634 85.8 4.9 -79.8 -15.0 37.3 45.8 7.6 104 103 A N - 0 0 9 27,-0.1 2,-0.3 19,-0.1 21,-0.0 -0.993 56.6-162.8-161.6 164.1 34.9 44.7 10.4 105 104 A M - 0 0 5 -2,-0.3 19,-0.3 19,-0.1 2,-0.0 -0.962 27.8-109.1-142.4 158.7 32.9 41.8 11.9 106 105 A A - 0 0 13 -2,-0.3 17,-0.1 2,-0.2 169,-0.1 -0.142 45.7 -92.1 -77.1 177.3 30.0 41.5 14.3 107 106 A S S S+ 0 0 37 15,-0.3 169,-1.8 167,-0.2 168,-1.4 0.818 113.8 33.5 -65.3 -34.6 30.4 40.1 17.9 108 107 A L S S- 0 0 18 166,-0.2 -2,-0.2 167,-0.2 -1,-0.2 -0.993 71.2-152.4-129.3 124.8 29.7 36.5 17.1 109 108 A P S S+ 0 0 7 0, 0.0 -20,-1.8 0, 0.0 2,-1.4 0.576 73.9 89.9 -82.3 -5.6 30.8 35.1 13.7 110 109 A H + 0 0 36 -22,-0.2 2,-0.4 -23,-0.1 -23,-0.0 -0.262 65.1 108.4 -90.3 52.5 28.2 32.3 13.2 111 110 A I S S- 0 0 27 -2,-1.4 -23,-2.0 -3,-0.1 -22,-0.1 -0.972 75.1-101.3-132.5 136.5 25.7 34.5 11.5 112 111 A S B > -H 87 0D 3 -2,-0.4 4,-2.1 -25,-0.2 -25,-0.3 -0.267 21.0-136.9 -58.4 140.7 24.6 34.5 7.8 113 112 A V H > S+ 0 0 0 -27,-3.0 4,-2.2 -30,-0.3 5,-0.2 0.948 103.4 46.1 -64.0 -50.5 26.1 37.2 5.6 114 113 A A H > S+ 0 0 20 -30,-1.7 4,-1.5 -28,-0.3 -1,-0.2 0.921 115.2 46.8 -61.7 -41.9 22.7 38.0 3.8 115 114 A G H > S+ 0 0 33 -31,-0.6 4,-0.6 1,-0.2 -1,-0.2 0.882 110.6 53.0 -68.7 -34.4 20.8 38.0 7.0 116 115 A S H >X>S+ 0 0 1 -4,-2.1 5,-1.9 1,-0.2 3,-1.0 0.933 112.6 42.1 -63.0 -50.4 23.4 40.2 8.7 117 116 A V H 3<5S+ 0 0 2 -4,-2.2 3,-0.4 1,-0.2 -1,-0.2 0.766 102.2 71.6 -73.4 -20.2 23.4 42.9 6.0 118 117 A A H 3<5S+ 0 0 18 -4,-1.5 46,-2.0 -5,-0.2 -1,-0.2 0.724 107.8 32.8 -63.1 -26.8 19.6 42.8 5.7 119 118 A T H <<5S- 0 0 14 -3,-1.0 255,-0.9 -4,-0.6 256,-0.3 0.440 119.3 -91.2-116.0 -5.9 19.1 44.5 9.1 120 119 A G T <5 - 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0 0 16 1,-0.1 -2,-0.1 2,-0.1 5,-0.0 -0.460 61.1-106.5 -62.3 124.8 8.7 52.2 18.5 381 380 A P > - 0 0 60 0, 0.0 4,-2.5 0, 0.0 5,-0.2 -0.269 26.8-116.1 -54.3 144.6 5.3 52.9 16.9 382 381 A A H > S+ 0 0 49 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.863 111.2 45.6 -54.4 -45.9 5.2 52.3 13.1 383 382 A G H > S+ 0 0 36 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.917 113.5 49.5 -68.9 -37.4 4.5 55.9 12.0 384 383 A E H 4 S+ 0 0 85 -3,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.911 112.1 49.4 -64.3 -41.1 7.1 57.3 14.4 385 384 A L H >< S+ 0 0 10 -4,-2.5 3,-1.7 1,-0.2 -2,-0.2 0.916 105.6 55.9 -66.1 -45.0 9.6 54.9 13.0 386 385 A R H >< S+ 0 0 78 -4,-2.5 3,-1.6 1,-0.3 -1,-0.2 0.894 99.8 61.3 -55.5 -34.7 8.9 55.7 9.4 387 386 A A T 3< S+ 0 0 87 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.635 92.8 66.9 -68.8 -15.4 9.6 59.3 10.0 388 387 A L T < S+ 0 0 42 -3,-1.7 -1,-0.3 -4,-0.4 -2,-0.2 0.448 87.2 75.1 -84.5 -2.3 13.2 58.5 11.0 389 388 A Y X - 0 0 8 -3,-1.6 3,-1.7 -4,-0.2 4,-0.3 -0.893 60.5-165.4-120.9 103.3 14.3 57.3 7.5 390 389 A P T 3 S+ 0 0 92 0, 0.0 3,-0.3 0, 0.0 4,-0.1 0.794 90.1 40.2 -54.9 -37.8 14.8 60.1 4.9 391 390 A R T 3> S+ 0 0 95 -60,-0.4 4,-2.1 1,-0.2 5,-0.1 0.050 76.7 116.9-106.6 28.7 14.8 57.8 1.9 392 391 A L H <> S+ 0 0 22 -3,-1.7 4,-2.6 1,-0.2 5,-0.2 0.889 75.2 53.0 -61.4 -41.4 12.0 55.5 2.9 393 392 A A H > S+ 0 0 83 -3,-0.3 4,-2.3 -4,-0.3 -1,-0.2 0.914 107.9 51.8 -62.7 -39.8 9.8 56.6 0.0 394 393 A D H > S+ 0 0 74 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.920 109.3 50.1 -60.9 -42.4 12.6 55.7 -2.4 395 394 A F H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.934 108.8 52.1 -59.8 -47.7 12.9 52.3 -0.8 396 395 A G H X S+ 0 0 28 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.884 108.4 51.1 -58.4 -35.3 9.2 51.8 -1.1 397 396 A A H X S+ 0 0 69 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.915 110.1 49.3 -69.4 -39.8 9.3 52.6 -4.8 398 397 A L H X S+ 0 0 10 -4,-2.1 4,-2.6 2,-0.2 5,-0.3 0.933 111.4 48.4 -63.3 -45.6 12.2 50.1 -5.3 399 398 A A H X S+ 0 0 6 -4,-2.8 4,-2.6 1,-0.2 7,-0.2 0.908 110.9 52.3 -61.0 -41.1 10.3 47.4 -3.5 400 399 A G H < S+ 0 0 39 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.833 111.2 47.4 -62.7 -34.8 7.2 48.2 -5.6 401 400 A A H < S+ 0 0 77 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.931 121.0 34.0 -74.0 -44.9 9.2 47.9 -8.8 402 401 A L H < S+ 0 0 23 -4,-2.6 -259,-0.5 1,-0.2 -2,-0.2 0.757 135.8 23.2 -83.3 -23.0 11.0 44.6 -7.9 403 402 A D >< + 0 0 6 -4,-2.6 3,-1.6 -5,-0.3 -1,-0.2 -0.611 68.4 172.7-144.2 69.1 8.0 43.0 -6.0 404 403 A P T 3 S+ 0 0 108 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.845 81.6 43.5 -57.1 -33.9 4.7 44.7 -7.2 405 404 A A T 3 S- 0 0 93 -5,-0.0 -5,-0.1 0, 0.0 4,-0.0 0.505 110.8-118.0 -88.0 -6.4 2.4 42.4 -5.3 406 405 A G X + 0 0 12 -3,-1.6 3,-1.5 -7,-0.2 -6,-0.1 0.868 52.7 160.8 68.7 38.1 4.5 42.4 -2.1 407 406 A K T 3 S+ 0 0 27 1,-0.3 -367,-2.6 -368,-0.1 -240,-0.1 0.857 80.6 42.0 -50.8 -39.0 5.3 38.7 -2.1 408 407 A F T 3 S+ 0 0 2 -242,-0.3 2,-0.7 -369,-0.2 -1,-0.3 0.301 92.2 102.4 -96.4 7.5 8.2 39.5 0.3 409 408 A T < + 0 0 16 -3,-1.5 2,-0.1 4,-0.1 -244,-0.1 -0.848 46.8 174.3 -93.4 114.0 6.3 42.0 2.5 410 409 A N > - 0 0 9 -2,-0.7 4,-2.8 -358,-0.2 5,-0.2 -0.356 53.3 -81.2-102.1-172.1 5.2 40.5 5.8 411 410 A A H > S+ 0 0 78 -357,-0.3 4,-1.8 1,-0.2 5,-0.1 0.923 130.0 53.1 -59.7 -38.8 3.5 42.3 8.7 412 411 A F H > S+ 0 0 34 -361,-0.3 4,-0.7 -358,-0.3 -1,-0.2 0.959 115.5 38.5 -58.9 -54.5 6.9 43.6 9.9 413 412 A V H >> S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 3,-0.8 0.863 108.1 64.5 -66.9 -34.7 7.9 45.1 6.5 414 413 A R H 3X S+ 0 0 109 -4,-2.8 4,-0.8 1,-0.3 -1,-0.2 0.901 100.0 52.5 -58.9 -41.6 4.3 46.3 5.8 415 414 A G H 3< S+ 0 0 24 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.776 110.7 48.0 -65.3 -26.1 4.5 48.7 8.7 416 415 A V H << S+ 0 0 11 -3,-0.8 -2,-0.2 -4,-0.7 -1,-0.2 0.839 115.3 44.7 -75.0 -40.6 7.8 50.1 7.3 417 416 A L H < 0 0 55 -4,-2.3 -2,-0.2 -22,-0.1 -1,-0.2 0.462 360.0 360.0 -85.0 0.9 6.2 50.4 3.7 418 417 A A < 0 0 87 -4,-0.8 -3,-0.1 -5,-0.2 -22,-0.1 0.094 360.0 360.0 -82.2 360.0 2.9 52.0 4.9