==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 20-SEP-00 1E8G . COMPND 2 MOLECULE: VANILLYL-ALCOHOL OXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PENICILLIUM SIMPLICISSIMUM; . AUTHOR M.W.FRAAIJE,A.MATTEVI . 1100 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37504.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 750 68.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 156 14.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 72 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 142 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 289 26.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 1.9 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 0 2 2 4 0 2 2 0 0 4 4 0 2 2 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 0 0 PARALLEL BRIDGES PER LADDER . 9 4 8 6 2 4 0 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 . 2 0 0 4 0 0 2 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 6 A E 0 0 44 0, 0.0 19,-0.1 0, 0.0 34,-0.1 0.000 360.0 360.0 360.0 140.2 80.8 57.8 92.2 2 7 A F + 0 0 127 1,-0.2 15,-0.2 32,-0.1 18,-0.1 0.794 360.0 38.0 -82.4 -44.3 80.0 61.5 91.5 3 8 A R - 0 0 160 31,-0.1 2,-0.2 13,-0.1 -1,-0.2 -0.848 54.4-169.9-128.7 104.3 82.6 64.0 90.3 4 9 A P - 0 0 14 0, 0.0 32,-0.3 0, 0.0 3,-0.1 -0.582 31.4-123.3 -83.1 150.4 85.4 63.2 87.9 5 10 A L S S+ 0 0 112 30,-2.6 2,-0.4 -2,-0.2 31,-0.1 0.889 98.8 24.1 -56.3 -45.3 88.2 65.6 87.2 6 11 A T S S- 0 0 34 29,-0.4 -1,-0.2 56,-0.2 29,-0.1 -0.991 70.8-155.4-129.1 135.1 87.4 65.6 83.5 7 12 A L - 0 0 57 -2,-0.4 102,-0.2 -3,-0.1 3,-0.1 -0.776 31.0-101.5-101.6 151.1 84.1 64.8 81.7 8 13 A P > - 0 0 3 0, 0.0 3,-1.7 0, 0.0 100,-0.1 -0.254 61.0 -66.7 -65.2 158.1 83.8 63.6 78.1 9 14 A P T 3 S- 0 0 32 0, 0.0 3,-0.1 0, 0.0 97,-0.0 -0.112 114.2 -6.3 -53.9 133.8 82.9 66.2 75.4 10 15 A K T 3 S+ 0 0 184 1,-0.2 2,-0.4 -3,-0.1 76,-0.0 0.438 97.0 128.3 62.4 4.9 79.3 67.6 75.7 11 16 A L < - 0 0 16 -3,-1.7 2,-0.2 74,-0.1 -1,-0.2 -0.737 52.1-133.5 -96.0 137.9 78.2 65.3 78.6 12 17 A S > - 0 0 51 -2,-0.4 4,-3.1 1,-0.1 3,-0.5 -0.565 19.8-117.5 -85.0 156.0 76.6 66.7 81.7 13 18 A L H > S+ 0 0 79 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.820 117.6 54.4 -59.3 -35.6 77.6 65.7 85.2 14 19 A S H > S+ 0 0 86 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.858 109.9 45.8 -70.0 -36.2 74.1 64.5 85.8 15 20 A D H > S+ 0 0 65 -3,-0.5 4,-3.4 2,-0.2 5,-0.2 0.931 110.4 54.9 -71.4 -41.1 74.4 62.3 82.7 16 21 A F H X S+ 0 0 0 -4,-3.1 4,-3.4 1,-0.2 5,-0.2 0.944 111.9 43.6 -50.5 -55.0 77.8 61.1 83.9 17 22 A N H X S+ 0 0 45 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.886 113.4 50.6 -59.9 -43.8 76.3 60.0 87.2 18 23 A E H X S+ 0 0 89 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.994 114.5 44.6 -55.1 -58.5 73.3 58.4 85.5 19 24 A F H X S+ 0 0 0 -4,-3.4 4,-2.7 1,-0.2 -2,-0.2 0.938 114.3 47.8 -50.5 -56.3 75.7 56.5 83.2 20 25 A I H X S+ 0 0 0 -4,-3.4 4,-2.8 -5,-0.2 5,-0.3 0.918 110.7 52.5 -58.9 -38.4 78.0 55.5 86.0 21 26 A Q H X S+ 0 0 85 -4,-2.8 4,-2.0 -5,-0.2 -1,-0.2 0.935 109.7 50.1 -61.9 -44.4 75.1 54.4 88.1 22 27 A D H X S+ 0 0 37 -4,-2.6 4,-1.9 -5,-0.2 -2,-0.2 0.943 112.3 46.4 -58.2 -46.9 73.9 52.2 85.2 23 28 A I H X>S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 5,-0.5 0.926 108.7 53.5 -64.1 -44.8 77.3 50.6 84.8 24 29 A I H X5S+ 0 0 33 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.895 106.0 56.2 -59.0 -35.4 77.8 49.9 88.5 25 30 A R H <5S+ 0 0 176 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.967 113.7 40.1 -57.3 -51.1 74.4 48.2 88.3 26 31 A I H <5S+ 0 0 46 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.939 132.1 17.6 -65.8 -56.2 75.8 45.9 85.5 27 32 A V H <5S- 0 0 6 -4,-2.8 -3,-0.2 1,-0.2 -2,-0.2 0.537 106.6-112.0 -99.9 -9.8 79.3 45.1 86.6 28 33 A G ><< - 0 0 28 -4,-1.9 3,-1.3 -5,-0.5 -1,-0.2 0.032 31.0 -81.9 97.2 157.6 79.3 46.0 90.3 29 34 A S G > S+ 0 0 81 1,-0.3 3,-1.1 2,-0.2 -1,-0.1 0.815 124.7 63.6 -68.6 -27.6 81.0 48.7 92.4 30 35 A E G 3 S+ 0 0 154 1,-0.2 -1,-0.3 -6,-0.1 -2,-0.1 0.711 106.7 44.6 -67.8 -21.0 84.3 46.7 92.5 31 36 A N G < S+ 0 0 22 -3,-1.3 36,-3.2 -7,-0.1 2,-0.3 0.070 100.0 70.1-111.9 21.2 84.6 46.9 88.7 32 37 A V E < -A 66 0A 14 -3,-1.1 2,-0.5 34,-0.2 34,-0.3 -0.930 62.3-166.0-127.4 108.5 83.8 50.6 87.9 33 38 A E E -A 65 0A 118 32,-4.6 32,-2.3 -2,-0.3 2,-0.5 -0.917 7.2-156.8-115.8 122.8 86.4 53.4 88.9 34 39 A V E -A 64 0A 20 -2,-0.5 2,-1.3 30,-0.2 30,-0.2 -0.654 11.7-144.7 -91.5 125.1 85.7 57.2 89.0 35 40 A I 0 0 21 28,-2.0 -30,-2.6 -2,-0.5 -29,-0.4 -0.685 360.0 360.0 -90.2 92.4 88.7 59.5 88.8 36 41 A S 0 0 92 -2,-1.3 27,-0.0 -32,-0.3 28,-0.0 -0.787 360.0 360.0 -92.3 360.0 87.8 62.4 91.1 37 ! 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 38 47 A V 0 0 154 0, 0.0 10,-0.2 0, 0.0 11,-0.1 0.000 360.0 360.0 360.0 123.3 99.8 58.0 90.5 39 48 A D - 0 0 47 1,-0.2 7,-0.6 12,-0.1 13,-0.1 0.682 360.0-171.6 -70.5 -19.9 102.0 56.7 87.7 40 49 A G B -E 45 0B 49 5,-0.1 2,-0.2 11,-0.1 -1,-0.2 -0.323 23.3 -83.4 64.7-142.1 102.1 53.2 89.3 41 50 A S - 0 0 64 3,-1.8 5,-0.2 1,-0.1 0, 0.0 -0.824 29.0 -96.3-147.9-173.7 104.5 50.6 87.8 42 51 A Y S S+ 0 0 29 -2,-0.2 -1,-0.1 1,-0.2 55,-0.0 0.903 126.8 53.3 -75.8 -37.3 105.0 48.0 85.1 43 52 A M S S+ 0 0 135 1,-0.3 -1,-0.2 -3,-0.1 -3,-0.0 0.899 125.9 21.9 -61.4 -43.2 104.0 45.5 87.7 44 53 A K S S- 0 0 179 2,-0.0 -3,-1.8 0, 0.0 -1,-0.3 -0.726 91.0-153.3-127.3 77.6 100.8 47.5 88.5 45 54 A P B -E 40 0B 25 0, 0.0 2,-0.3 0, 0.0 -5,-0.1 -0.238 16.1-121.0 -53.6 137.9 100.1 49.6 85.3 46 55 A T - 0 0 21 -7,-0.6 56,-0.6 -5,-0.2 57,-0.1 -0.640 21.9-168.1 -80.5 137.2 98.1 52.8 85.9 47 56 A H S S+ 0 0 43 -2,-0.3 -1,-0.1 1,-0.1 3,-0.1 0.415 71.5 67.4-107.7 1.1 94.9 52.9 83.8 48 57 A T S S- 0 0 23 -10,-0.2 14,-2.1 1,-0.1 2,-0.3 0.638 105.9 -12.7 -98.1 -18.9 94.0 56.5 84.3 49 58 A H S S- 0 0 30 12,-0.2 53,-0.4 -11,-0.1 54,-0.2 -0.944 83.6 -62.2-166.4-179.5 96.6 58.6 82.4 50 59 A D - 0 0 10 9,-0.3 3,-0.2 -2,-0.3 51,-0.1 -0.752 38.7-171.0 -83.4 113.4 100.0 58.6 80.7 51 60 A P S S+ 0 0 16 0, 0.0 2,-1.7 0, 0.0 -1,-0.2 0.893 84.3 54.0 -71.5 -43.0 102.7 57.8 83.4 52 61 A T S S- 0 0 12 361,-0.1 46,-0.1 -13,-0.1 360,-0.1 -0.673 95.2-162.2 -90.5 69.0 105.7 58.6 81.2 53 62 A H + 0 0 32 -2,-1.7 3,-0.1 -3,-0.2 4,-0.0 -0.394 35.0 157.9 -66.8 143.6 104.2 62.0 80.6 54 63 A V + 0 0 2 2,-0.1 422,-0.2 -2,-0.1 2,-0.2 0.466 65.9 54.7-128.1 -31.8 105.4 64.1 77.7 55 64 A M S S- 0 0 21 1,-0.1 3,-0.1 4,-0.1 4,-0.1 -0.480 93.4 -88.3-101.5 171.2 102.4 66.4 77.3 56 65 A D > - 0 0 106 1,-0.2 3,-0.9 -2,-0.2 -1,-0.1 -0.258 52.4 -71.4 -81.9 168.7 100.8 68.6 79.9 57 66 A Q T 3 S+ 0 0 133 1,-0.2 -1,-0.2 -4,-0.0 3,-0.1 -0.152 112.4 37.0 -59.2 142.5 98.0 67.9 82.4 58 67 A D T 3 S+ 0 0 87 1,-0.4 2,-0.5 -3,-0.1 3,-0.3 0.489 90.1 109.8 92.4 2.1 94.5 67.4 81.2 59 68 A Y S < S+ 0 0 101 -3,-0.9 -1,-0.4 1,-0.2 -9,-0.3 -0.926 87.0 2.9-103.6 137.6 95.6 65.6 78.1 60 69 A F S S+ 0 0 4 45,-0.5 2,-0.5 -2,-0.5 -10,-0.2 0.867 89.0 150.0 55.4 47.7 94.8 61.9 78.0 61 70 A L - 0 0 15 -3,-0.3 47,-3.8 -12,-0.1 48,-0.3 -0.916 38.9-137.3-114.8 120.9 92.9 61.7 81.3 62 71 A A - 0 0 0 -14,-2.1 -56,-0.2 -2,-0.5 48,-0.2 -0.366 5.2-152.3 -70.2 152.4 90.2 59.2 81.9 63 72 A S S S- 0 0 0 46,-2.3 -28,-2.0 1,-0.4 2,-0.3 0.705 82.0 -8.2 -89.2 -31.0 86.9 60.2 83.6 64 73 A A E -Ab 34 110A 0 45,-1.0 47,-2.8 -30,-0.2 2,-0.5 -0.977 59.4-132.1-160.6 156.6 86.5 56.6 84.8 65 74 A I E -Ab 33 111A 11 -32,-2.3 -32,-4.6 -2,-0.3 2,-0.4 -0.977 26.8-170.7-111.9 123.5 88.0 53.0 84.5 66 75 A V E -Ab 32 112A 0 45,-3.2 47,-2.6 -2,-0.5 -34,-0.2 -0.974 9.4-159.6-120.6 136.0 85.4 50.2 83.9 67 76 A A - 0 0 3 -36,-3.2 47,-0.1 -2,-0.4 45,-0.1 -0.838 12.0-147.1-118.2 103.6 86.1 46.5 83.9 68 77 A P - 0 0 0 0, 0.0 49,-0.5 0, 0.0 50,-0.2 -0.261 5.4-148.4 -57.8 147.4 83.6 44.3 82.2 69 78 A R S S- 0 0 115 1,-0.2 2,-0.3 48,-0.1 -42,-0.0 0.757 75.0 -20.3 -87.3 -26.8 83.1 40.8 83.7 70 79 A N S > S- 0 0 59 48,-0.1 4,-1.6 1,-0.0 3,-0.5 -0.949 82.2 -72.5-162.5-174.2 82.3 39.3 80.3 71 80 A V H > S+ 0 0 7 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.830 123.0 60.8 -66.9 -31.6 81.2 39.9 76.7 72 81 A A H > S+ 0 0 17 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.941 105.0 48.7 -60.3 -41.1 77.7 40.6 77.8 73 82 A D H > S+ 0 0 6 -3,-0.5 4,-3.1 2,-0.2 5,-0.2 0.893 107.9 53.8 -66.8 -39.9 78.9 43.5 79.9 74 83 A V H X S+ 0 0 0 -4,-1.6 4,-2.6 2,-0.2 5,-0.2 0.959 111.7 46.0 -57.0 -48.9 81.0 44.9 77.0 75 84 A Q H X S+ 0 0 55 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.910 113.4 49.0 -61.6 -40.1 77.8 44.8 74.8 76 85 A S H X S+ 0 0 53 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.918 112.4 48.2 -64.6 -44.7 75.7 46.4 77.6 77 86 A I H X S+ 0 0 0 -4,-3.1 4,-2.9 2,-0.2 -2,-0.2 0.861 109.4 52.2 -64.5 -38.6 78.3 49.2 78.1 78 87 A V H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.2 5,-0.2 0.935 108.5 52.6 -63.8 -39.3 78.5 49.9 74.3 79 88 A G H X S+ 0 0 38 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.946 111.1 45.9 -60.3 -47.0 74.7 50.2 74.4 80 89 A L H X S+ 0 0 22 -4,-2.0 4,-2.7 1,-0.2 5,-0.2 0.936 110.9 53.6 -62.1 -41.5 75.0 52.8 77.2 81 90 A A H X>S+ 0 0 0 -4,-2.9 5,-1.9 1,-0.2 4,-1.2 0.903 109.5 46.8 -65.4 -36.4 77.8 54.6 75.5 82 91 A N H <5S+ 0 0 32 -4,-2.5 3,-0.2 2,-0.2 -1,-0.2 0.912 111.5 53.7 -69.4 -36.8 75.7 55.0 72.3 83 92 A K H <5S+ 0 0 147 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.933 123.3 25.5 -62.7 -47.0 72.7 56.1 74.4 84 93 A F H <5S- 0 0 22 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 0.376 104.4-119.9-101.0 4.5 74.7 58.9 76.2 85 94 A S T <5 + 0 0 66 -4,-1.2 -3,-0.2 -5,-0.2 -4,-0.1 0.942 55.0 160.8 59.1 47.7 77.4 59.5 73.5 86 95 A F < - 0 0 0 -5,-1.9 2,-0.2 -6,-0.2 -1,-0.2 -0.890 37.3-124.8-107.6 127.3 80.2 58.6 75.8 87 96 A P - 0 0 1 0, 0.0 23,-2.5 0, 0.0 2,-0.3 -0.492 21.9-156.1 -76.3 140.7 83.6 57.7 74.4 88 97 A L E -cd 110 532A 0 443,-3.0 445,-2.6 21,-0.2 23,-0.2 -0.871 8.8-161.2-113.9 144.4 85.3 54.4 75.3 89 98 A W E -c 111 0A 26 21,-2.7 23,-3.0 -2,-0.3 2,-0.3 -0.904 16.2-154.8-129.5 93.7 89.0 53.5 75.2 90 99 A P E +c 112 0A 37 0, 0.0 2,-0.3 0, 0.0 23,-0.2 -0.603 17.5 173.5 -72.8 131.7 89.4 49.7 75.2 91 100 A I E -c 113 0A 15 21,-2.7 23,-1.8 -2,-0.3 24,-0.3 -0.897 23.2-157.8-127.7 160.5 92.7 48.3 76.6 92 101 A S S S- 0 0 18 -2,-0.3 23,-1.0 22,-0.2 -1,-0.1 0.816 89.4 -18.6-102.2 -58.3 93.7 44.7 77.3 93 102 A I S S- 0 0 26 21,-0.1 9,-0.1 22,-0.1 43,-0.1 0.566 81.1-133.5-119.5 -29.1 96.5 45.0 79.8 94 103 A G + 0 0 12 7,-0.1 8,-0.4 1,-0.1 2,-0.1 0.729 63.1 129.7 81.6 21.0 97.5 48.6 79.4 95 104 A R + 0 0 59 6,-0.2 2,-1.1 1,-0.1 -1,-0.1 -0.169 18.8 131.3 -98.6 43.5 101.2 48.2 79.3 96 105 A N > > + 0 0 40 -2,-0.1 5,-2.3 3,-0.1 3,-2.3 -0.277 35.6 172.7 -88.8 46.7 101.8 50.2 76.0 97 106 A S T 3 5 + 0 0 34 -2,-1.1 317,-0.1 1,-0.3 -2,-0.1 -0.425 65.1 29.3 -62.0 128.4 104.6 52.1 77.7 98 107 A G T 3 5S+ 0 0 0 315,-0.3 317,-1.8 -2,-0.2 -1,-0.3 0.117 119.8 60.2 102.9 -17.4 106.4 54.4 75.2 99 108 A Y T < 5S- 0 0 11 -3,-2.3 399,-1.2 315,-0.2 -2,-0.2 0.247 133.5 -73.4-122.3 7.1 103.1 54.7 73.2 100 109 A G T > 5 - 0 0 0 -4,-0.4 3,-1.6 397,-0.2 -3,-0.2 0.458 56.8-125.4 117.4 -1.0 100.9 56.2 76.0 101 110 A G T 3 S- 0 0 0 428,-0.2 3,-1.4 -46,-0.1 -1,-0.2 -0.858 92.5-126.2 -99.7 118.4 90.2 61.9 74.4 107 116 A S T 3 S+ 0 0 15 -2,-0.6 -45,-0.2 1,-0.2 3,-0.1 -0.276 95.0 35.3 -59.4 142.1 90.3 63.2 78.0 108 117 A G T 3 S+ 0 0 0 -47,-3.8 -1,-0.2 1,-0.3 -46,-0.2 0.391 86.8 136.9 93.6 -5.9 87.1 62.3 79.9 109 118 A S < - 0 0 0 -3,-1.4 -46,-2.3 -48,-0.3 -45,-1.0 -0.343 61.4-112.4 -67.8 160.3 86.8 58.9 78.1 110 119 A V E -bc 64 88A 0 -23,-2.5 -21,-2.7 -48,-0.2 2,-0.6 -0.813 27.8-138.1 -90.1 124.9 85.9 55.7 80.0 111 120 A V E -bc 65 89A 0 -47,-2.8 -45,-3.2 -2,-0.6 2,-0.9 -0.763 13.6-146.4 -84.8 124.2 88.9 53.4 79.9 112 121 A L E -bc 66 90A 0 -23,-3.0 -21,-2.7 -2,-0.6 2,-1.4 -0.835 7.3-160.1 -96.1 102.1 87.6 49.9 79.3 113 122 A D E + c 0 91A 13 -47,-2.6 3,-0.5 -2,-0.9 4,-0.5 -0.668 19.2 169.0 -82.8 90.0 89.8 47.5 81.2 114 123 A M > + 0 0 3 -23,-1.8 4,-1.4 -2,-1.4 22,-0.4 0.707 66.7 59.6 -72.3 -28.6 89.0 44.2 79.3 115 124 A G T 4 S+ 0 0 4 -23,-1.0 -1,-0.2 -24,-0.3 -22,-0.1 0.701 83.6 75.1 -78.3 -26.4 91.8 42.1 80.8 116 125 A K T 4 S+ 0 0 97 -3,-0.5 -1,-0.2 1,-0.2 -2,-0.1 0.966 121.9 7.3 -49.2 -58.1 91.0 42.3 84.5 117 126 A N T 4 S+ 0 0 56 -49,-0.5 2,-1.3 -4,-0.5 -2,-0.2 0.741 120.5 71.0 -99.6 -26.1 88.1 39.8 84.3 118 127 A M < + 0 0 2 -4,-1.4 18,-3.0 -50,-0.2 19,-0.2 -0.692 66.0 129.2 -96.9 83.8 88.4 38.6 80.6 119 128 A N + 0 0 82 -2,-1.3 2,-0.3 17,-0.2 -1,-0.2 0.228 24.8 129.5-113.2 -12.1 91.5 36.6 81.3 120 129 A R - 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0 0 0 -12,-2.5 3,-1.6 -2,-0.4 33,-0.1 -0.507 55.9 -11.3 -88.2 164.8 86.1 37.0 61.3 204 213 A G G > S- 0 0 3 31,-0.3 3,-1.7 1,-0.3 33,-0.2 -0.260 134.3 -6.2 62.6-135.3 87.2 34.6 58.6 205 214 A M G > S+ 0 0 2 28,-0.7 3,-1.4 25,-0.3 25,-0.3 0.641 122.3 81.2 -73.2 -11.2 86.2 30.9 59.1 206 215 A G G < S+ 0 0 2 -3,-1.6 -1,-0.3 24,-0.4 -2,-0.2 0.719 83.5 62.6 -65.8 -17.8 85.0 32.1 62.5 207 216 A A G < S+ 0 0 3 -3,-1.7 855,-2.5 2,-0.1 -1,-0.3 0.618 84.5 83.8 -83.5 -16.6 81.9 33.3 60.5 208 217 A L S < S- 0 0 3 -3,-1.4 19,-0.6 852,-0.2 852,-0.2 -0.773 89.2-128.5 -88.4 109.6 81.2 29.6 59.5 209 218 A P - 0 0 40 0, 0.0 833,-0.2 0, 0.0 17,-0.1 -0.342 14.5-110.9 -63.4 144.2 79.3 28.3 62.6 210 219 A D - 0 0 44 15,-0.5 17,-0.1 17,-0.1 3,-0.1 -0.584 51.9 -99.7 -68.2 133.7 80.3 25.1 64.4 211 220 A P - 0 0 40 0, 0.0 -1,-0.1 0, 0.0 829,-0.1 -0.223 46.6 -86.8 -59.2 146.0 77.4 22.6 63.5 212 221 A K + 0 0 185 -3,-0.1 3,-0.1 3,-0.0 0, 0.0 -0.236 52.3 169.2 -54.3 143.0 74.7 22.1 66.2 213 222 A R >> - 0 0 99 -3,-0.1 3,-1.3 1,-0.1 4,-1.1 -0.988 44.9-112.8-151.0 152.4 75.3 19.4 68.8 214 223 A P G >4 S+ 0 0 107 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 0.921 113.0 57.0 -53.4 -41.9 73.5 18.6 72.1 215 224 A E G 34 S+ 0 0 144 1,-0.2 -3,-0.0 -3,-0.1 0, 0.0 0.755 112.3 39.6 -64.3 -26.6 76.4 19.7 74.3 216 225 A T G X4 S+ 0 0 27 -3,-1.3 3,-1.3 3,-0.0 -1,-0.2 0.461 83.5 126.5-106.1 1.6 76.6 23.2 72.9 217 226 A M T << S+ 0 0 104 -4,-1.1 -5,-0.0 -3,-0.8 0, 0.0 -0.194 72.1 16.4 -59.3 145.3 72.9 24.1 72.5 218 227 A G T 3 S+ 0 0 85 1,-0.2 2,-0.2 3,-0.0 -1,-0.2 0.558 84.1 144.1 72.0 9.7 71.6 27.3 74.1 219 228 A L < - 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0 0 4 -4,-1.4 -28,-0.7 1,-0.1 3,-0.4 -0.928 65.1-162.9-136.9 114.3 92.9 29.5 57.7 234 243 A P S S+ 0 0 7 0, 0.0 -44,-0.3 0, 0.0 8,-0.1 0.656 73.5 65.4 -74.7 -25.9 92.5 33.2 58.2 235 244 A Y + 0 0 5 1,-0.2 -31,-0.3 -31,-0.1 2,-0.3 0.644 62.4 179.6 -73.7 -31.1 90.7 34.4 55.1 236 245 A G - 0 0 0 -3,-0.4 2,-0.3 -7,-0.1 -1,-0.2 -0.369 53.6 -50.7 65.4-127.7 87.3 32.7 55.2 237 246 A F S S+ 0 0 3 -2,-0.3 -33,-0.1 2,-0.2 810,-0.1 -0.989 100.8 5.8-146.6 146.0 85.3 33.8 52.1 238 247 A G S S+ 0 0 0 808,-0.3 562,-0.2 -2,-0.3 851,-0.1 -0.398 112.2 13.8 78.6-159.8 84.6 37.3 50.6 239 248 A P - 0 0 3 0, 0.0 2,-1.3 0, 0.0 -35,-0.2 -0.248 68.3-136.0 -54.8 136.1 86.2 40.5 51.9 240 249 A Y + 0 0 19 555,-1.9 3,-0.5 558,-0.6 557,-0.2 -0.667 34.9 167.3 -98.8 85.6 89.1 39.9 54.3 241 250 A I > + 0 0 1 -2,-1.3 3,-1.6 1,-0.2 4,-0.3 0.500 42.0 102.8 -81.7 -3.9 88.2 42.5 56.9 242 251 A D G > S+ 0 0 0 1,-0.3 3,-1.9 2,-0.2 -1,-0.2 0.798 74.0 59.2 -49.3 -44.7 90.5 41.5 59.7 243 252 A G G > S+ 0 0 4 -3,-0.5 3,-2.1 1,-0.3 549,-1.9 0.765 89.1 72.7 -61.7 -21.3 93.1 44.2 59.2 244 253 A L G < S+ 0 0 2 -3,-1.6 6,-0.5 1,-0.3 -1,-0.3 0.636 95.2 55.6 -69.4 -14.2 90.4 46.9 59.8 245 254 A F G < S+ 0 0 7 -3,-1.9 2,-0.4 -4,-0.3 -1,-0.3 0.159 89.1 89.0-105.3 21.6 90.6 45.9 63.5 246 255 A S S < S- 0 0 0 -3,-2.1 546,-0.6 1,-0.2 -73,-0.2 -0.971 106.5 -7.9-116.3 138.6 94.4 46.4 63.8 247 256 A Q S S+ 0 0 5 -75,-1.0 2,-0.3 -2,-0.4 -1,-0.2 0.921 117.5 104.7 49.6 47.1 95.7 49.9 64.9 248 257 A S S S- 0 0 21 -3,-0.3 -1,-0.2 542,-0.2 3,-0.1 -0.854 77.2-128.0-145.3 179.2 92.1 51.2 64.5 249 258 A N S S+ 0 0 2 -2,-0.3 283,-0.2 287,-0.2 -4,-0.1 -0.164 74.0 111.5-119.6 32.2 89.0 52.3 66.3 250 259 A M S S- 0 0 7 -6,-0.5 -54,-0.5 1,-0.1 2,-0.3 0.668 83.2 -18.9 -85.0 -13.3 86.7 50.0 64.3 251 260 A G E - H 0 195C 12 -56,-0.2 2,-0.6 -3,-0.1 -56,-0.2 -0.973 62.7 -95.0-177.5 172.9 85.8 47.6 67.2 252 261 A I E - H 0 194C 1 -58,-2.3 -58,-3.4 -2,-0.3 2,-0.5 -0.977 38.7-140.9-107.9 118.2 86.4 46.1 70.6 253 262 A V E + H 0 193C 20 -2,-0.6 -60,-0.2 -60,-0.2 3,-0.1 -0.672 28.3 167.5 -86.5 123.7 88.4 42.8 70.3 254 263 A T E + 0 0 0 -62,-2.2 2,-0.3 -2,-0.5 -61,-0.2 0.634 64.6 13.4-106.7 -23.5 87.3 40.1 72.8 255 264 A K E - H 0 192C 8 -63,-1.3 -63,-1.9 -121,-0.2 2,-0.3 -0.990 58.0-177.7-148.3 155.8 89.1 37.0 71.5 256 265 A I E -GH 133 191C 0 -123,-1.5 -123,-2.6 -2,-0.3 2,-0.4 -0.991 20.7-137.4-157.3 143.5 91.9 36.0 69.0 257 266 A G E -G 132 0C 0 -67,-1.1 -68,-2.4 -2,-0.3 2,-0.4 -0.886 23.1-167.4 -98.5 135.7 93.5 32.9 67.7 258 267 A I E -GH 131 188C 19 -127,-2.1 -127,-1.7 -2,-0.4 -70,-0.2 -0.996 21.2-122.0-127.5 125.3 97.4 33.0 67.4 259 268 A W E -G 130 0C 29 -72,-3.1 2,-0.4 -2,-0.4 -129,-0.3 -0.422 28.2-153.8 -65.3 140.0 99.5 30.4 65.5 260 269 A L - 0 0 8 -131,-2.4 -103,-0.2 -132,-0.2 -1,-0.0 -0.937 13.8-119.9-124.6 136.1 102.1 28.7 67.7 261 270 A M E -K 156 0E 12 -105,-0.9 -105,-3.7 -2,-0.4 584,-0.1 -0.599 24.1-128.4 -78.5 125.0 105.4 27.2 66.6 262 271 A P E -K 155 0E 30 0, 0.0 -107,-0.3 0, 0.0 -108,-0.1 -0.520 47.8 -80.9 -64.5 143.9 106.0 23.5 67.2 263 272 A N - 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0 0 20 -4,-1.5 -1,-0.2 -5,-0.1 5,-0.0 -0.940 69.3 -89.7-175.3 161.7 123.2 49.9 84.6 314 323 A D > - 0 0 69 -2,-0.3 3,-1.1 -3,-0.1 4,-0.3 -0.189 47.2 -99.0 -76.7 172.5 122.0 53.6 84.7 315 324 A K G >> S+ 0 0 13 92,-2.2 3,-2.7 1,-0.3 4,-2.1 0.911 120.9 60.2 -56.7 -44.5 123.9 56.5 83.1 316 325 A R G 34 S+ 0 0 182 91,-0.4 -1,-0.3 1,-0.3 92,-0.1 0.763 97.6 61.3 -57.7 -25.2 125.4 57.6 86.4 317 326 A S G <4 S+ 0 0 74 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.625 115.1 31.6 -79.4 -11.3 127.1 54.2 86.7 318 327 A Y T <4 S- 0 0 44 -3,-2.7 2,-0.3 1,-0.4 -2,-0.2 0.638 133.8 -6.7-113.9 -25.2 129.1 54.9 83.5 319 328 A S < - 0 0 27 -4,-2.1 -1,-0.4 2,-0.1 6,-0.0 -0.958 47.8-140.9-165.8 155.2 129.6 58.7 83.5 320 329 A S + 0 0 108 -2,-0.3 -4,-0.1 -3,-0.1 -5,-0.0 0.381 63.1 118.2-111.1 7.6 128.5 61.7 85.5 321 330 A R - 0 0 98 1,-0.1 -2,-0.1 -6,-0.1 4,-0.1 -0.302 55.2-150.9 -68.6 153.2 128.0 64.1 82.6 322 331 A T S S+ 0 0 130 2,-0.1 -1,-0.1 121,-0.0 3,-0.1 0.702 76.9 75.3 -94.9 -29.2 124.5 65.5 82.0 323 332 A E S S- 0 0 107 1,-0.2 3,-0.1 120,-0.1 120,-0.1 -0.243 102.3 -68.8 -79.9 167.7 125.2 65.9 78.3 324 333 A P - 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0 0 19 -4,-1.8 -1,-0.2 -5,-0.1 5,-0.0 -0.985 68.9 -87.8-173.0 165.0 93.9 11.7 27.9 866 323 B D > - 0 0 64 -2,-0.3 3,-1.2 1,-0.1 4,-0.4 -0.256 46.8-100.6 -79.5 172.7 90.1 12.1 27.8 867 324 B K G >> S+ 0 0 12 92,-2.1 4,-2.1 1,-0.3 3,-1.7 0.865 120.7 60.1 -61.4 -38.2 87.6 9.6 29.4 868 325 B R G 34 S+ 0 0 185 91,-0.4 -1,-0.3 1,-0.3 92,-0.1 0.727 98.4 60.0 -61.5 -22.5 86.9 7.9 26.1 869 326 B S G <4 S+ 0 0 74 -3,-1.2 -1,-0.3 1,-0.1 -2,-0.2 0.581 115.2 33.2 -82.3 -10.0 90.7 7.0 25.9 870 327 B Y T <4 S- 0 0 41 -3,-1.7 2,-0.3 1,-0.4 -2,-0.2 0.630 133.5 -6.9-114.0 -25.9 90.4 5.0 29.2 871 328 B S < - 0 0 27 -4,-2.1 -1,-0.4 2,-0.1 6,-0.0 -0.958 48.2-140.3-165.8 154.0 86.9 3.6 29.1 872 329 B S + 0 0 110 -2,-0.3 2,-0.1 -3,-0.1 -4,-0.1 0.308 64.2 117.9-110.6 12.6 83.8 3.8 27.0 873 330 B R - 0 0 92 -6,-0.2 4,-0.1 1,-0.1 -2,-0.1 -0.423 55.0-152.3 -74.4 148.3 81.3 3.8 29.9 874 331 B T S S+ 0 0 131 -2,-0.1 -1,-0.1 2,-0.1 3,-0.1 0.732 76.8 75.1 -89.8 -29.6 79.1 6.9 30.4 875 332 B E S S- 0 0 107 1,-0.2 3,-0.1 120,-0.1 -2,-0.1 -0.275 102.4 -69.0 -79.4 165.9 78.8 6.2 34.1 876 333 B P - 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