==== 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 22-OCT-07 3B3R . COMPND 2 MOLECULE: CHOLESTEROL OXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES SP.; . AUTHOR A.Y.LYUBIMOV,K.HEARD,H.TANG,N.S.SAMPSON,A.VRIELINK . 503 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18394.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 335 66.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 5.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 77 15.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 43 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 103 20.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.8 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 0 2 2 1 1 0 0 2 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 1 1 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 PARALLEL BRIDGES PER LADDER . 9 2 1 2 1 2 1 1 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 2 0 0 0 1 1 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 4 A S > 0 0 48 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -67.3 23.1 -1.6 47.5 2 5 A A T 4 + 0 0 16 2,-0.2 4,-0.1 1,-0.2 6,-0.0 0.909 360.0 50.0 -56.4 -45.7 20.8 -1.2 44.6 3 6 A D T 4 S+ 0 0 72 1,-0.2 -1,-0.2 2,-0.1 3,-0.1 0.884 133.9 4.0 -65.6 -44.1 18.1 -0.7 47.2 4 7 A N T 4 S- 0 0 151 1,-0.2 272,-0.3 271,-0.0 -1,-0.2 0.481 110.0 -92.7-123.8 -4.5 19.6 1.9 49.4 5 8 A G < + 0 0 20 -4,-1.7 2,-0.3 270,-0.2 272,-0.3 -0.072 66.5 124.6 91.0 154.3 22.9 2.9 47.8 6 9 A G E -a 277 0A 29 270,-1.1 272,-2.5 -5,-0.1 2,-0.3 -0.946 55.0 -42.3 150.8-165.2 26.2 1.3 48.6 7 10 A Y E +a 278 0A 135 -2,-0.3 272,-0.2 270,-0.2 -5,-0.1 -0.720 39.0 171.9-102.0 140.8 29.2 -0.5 47.1 8 11 A V E -a 279 0A 18 270,-2.2 272,-0.6 -2,-0.3 273,-0.2 -0.985 38.6-122.5-138.1 140.1 29.3 -3.3 44.5 9 12 A P E S+ 0 0 37 0, 0.0 272,-2.4 0, 0.0 271,-2.0 0.907 95.5 17.5 -51.9 -52.2 32.5 -4.5 42.9 10 13 A A E -ab 281 33A 0 22,-2.0 24,-2.4 270,-0.2 2,-0.4 -0.981 65.2-166.3-123.9 140.2 31.5 -3.7 39.3 11 14 A V E -ab 282 34A 0 270,-2.2 272,-2.8 -2,-0.4 2,-0.5 -0.983 3.5-163.6-119.8 137.0 28.7 -1.5 38.0 12 15 A V E -ab 283 35A 0 22,-2.5 24,-2.4 -2,-0.4 2,-0.6 -0.986 12.9-145.3-116.6 123.7 27.5 -1.5 34.4 13 16 A I E +ab 284 36A 9 270,-2.8 272,-2.4 -2,-0.5 24,-0.2 -0.831 67.5 4.1 -90.9 121.4 25.5 1.5 33.3 14 17 A G - 0 0 7 22,-3.2 22,-0.2 -2,-0.6 272,-0.2 -0.118 66.6-120.0 91.0 169.4 22.8 0.4 30.8 15 18 A T + 0 0 0 93,-0.3 95,-0.4 270,-0.2 -1,-0.1 -0.006 67.5 112.6-142.7 30.4 21.7 -2.9 29.5 16 19 A G S > S- 0 0 12 269,-0.8 4,-2.7 93,-0.1 5,-0.2 0.111 87.7 -62.3 -81.7-158.4 22.3 -2.7 25.7 17 20 A Y H > S+ 0 0 21 1,-0.2 4,-2.2 2,-0.2 5,-0.3 0.935 133.2 42.6 -61.9 -52.3 24.8 -4.7 23.7 18 21 A G H > S+ 0 0 1 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.923 118.4 46.9 -61.0 -43.5 28.0 -3.4 25.2 19 22 A A H > S+ 0 0 0 266,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.895 111.2 50.4 -61.9 -46.8 26.6 -3.6 28.7 20 23 A A H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.907 111.7 46.7 -65.6 -43.0 25.1 -7.1 28.3 21 24 A V H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.2 5,-0.2 0.947 114.0 49.5 -59.5 -48.9 28.3 -8.6 26.9 22 25 A S H X S+ 0 0 2 -4,-1.9 4,-2.5 -5,-0.3 -2,-0.2 0.938 111.2 47.8 -59.0 -49.0 30.4 -7.0 29.7 23 26 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.885 109.5 53.2 -64.8 -38.6 28.1 -8.1 32.5 24 27 A L H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.955 113.0 42.6 -57.9 -50.2 28.0 -11.8 31.3 25 28 A R H X S+ 0 0 40 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.889 113.0 52.8 -71.6 -35.0 31.7 -12.1 31.2 26 29 A L H <>S+ 0 0 0 -4,-2.5 5,-2.6 -5,-0.2 4,-0.3 0.935 111.5 47.3 -59.1 -49.1 32.2 -10.3 34.5 27 30 A G H ><5S+ 0 0 4 -4,-2.5 3,-1.5 1,-0.2 -2,-0.2 0.908 109.2 51.9 -62.7 -39.7 29.7 -12.6 36.1 28 31 A E H 3<5S+ 0 0 114 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.792 106.9 55.4 -64.3 -26.5 31.4 -15.7 34.6 29 32 A A T 3<5S- 0 0 53 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.427 123.2-108.5 -83.9 -0.8 34.7 -14.4 36.0 30 33 A G T < 5S+ 0 0 44 -3,-1.5 2,-0.7 -4,-0.3 -3,-0.2 0.620 70.6 144.5 83.5 19.2 33.0 -14.3 39.5 31 34 A V < - 0 0 16 -5,-2.6 2,-0.3 -6,-0.2 -1,-0.3 -0.771 52.7-127.1 -94.2 117.9 32.8 -10.5 39.8 32 35 A Q - 0 0 66 -2,-0.7 -22,-2.0 -3,-0.1 2,-0.4 -0.498 38.0-171.6 -64.6 122.4 29.7 -9.3 41.5 33 36 A T E -bc 10 239A 0 205,-2.9 207,-2.1 -2,-0.3 2,-0.5 -0.971 21.7-160.4-130.4 133.0 28.1 -6.9 39.1 34 37 A L E -bc 11 240A 1 -24,-2.4 -22,-2.5 -2,-0.4 2,-0.4 -0.971 10.6-156.8-112.3 124.9 25.1 -4.4 39.3 35 38 A M E -bc 12 241A 0 205,-2.9 207,-2.9 -2,-0.5 2,-0.5 -0.857 5.1-155.8 -99.2 134.0 23.6 -3.2 36.1 36 39 A L E -bc 13 242A 2 -24,-2.4 -22,-3.2 -2,-0.4 2,-0.5 -0.959 13.6-178.4-111.1 115.9 21.7 0.1 36.2 37 40 A E E - c 0 243A 12 205,-2.7 208,-2.4 -2,-0.5 207,-0.5 -0.963 22.3-155.9-120.3 129.2 19.0 0.7 33.6 38 41 A M S S+ 0 0 32 -2,-0.5 208,-0.2 206,-0.3 227,-0.1 0.770 77.6 59.3 -73.3 -29.1 16.9 3.8 33.3 39 42 A G S S- 0 0 0 1,-0.1 205,-2.1 206,-0.1 206,-0.3 -0.147 92.5 -78.3 -88.1-170.0 14.0 2.1 31.5 40 43 A Q - 0 0 30 67,-0.5 69,-2.5 50,-0.4 2,-0.7 -0.486 29.1-113.8 -87.9 158.3 11.8 -0.8 32.4 41 44 A L - 0 0 75 67,-0.2 2,-1.5 -2,-0.2 3,-0.3 -0.848 39.0-138.9 -79.8 116.6 12.1 -4.6 32.5 42 45 A W + 0 0 16 -2,-0.7 9,-0.1 67,-0.3 10,-0.1 -0.615 67.8 105.5 -89.9 86.0 9.6 -5.4 29.7 43 46 A N + 0 0 78 -2,-1.5 -1,-0.2 8,-0.1 8,-0.1 0.315 45.3 100.7-144.2 12.7 7.7 -8.4 31.1 44 47 A Q S S- 0 0 134 -3,-0.3 2,-0.1 7,-0.1 6,-0.1 -0.876 71.1-121.3-110.4 120.6 4.3 -7.2 32.2 45 48 A P - 0 0 87 0, 0.0 6,-0.3 0, 0.0 5,-0.1 -0.421 35.6-147.5 -55.1 135.7 1.2 -7.8 30.0 46 49 A G > - 0 0 25 4,-2.6 3,-2.4 6,-0.1 5,-0.1 -0.017 38.7 -62.4 -97.8-163.9 -0.4 -4.5 29.2 47 50 A P T 3 S+ 0 0 124 0, 0.0 4,-0.1 0, 0.0 -1,-0.0 0.671 136.6 43.8 -60.2 -19.3 -4.0 -3.2 28.6 48 51 A D T 3 S- 0 0 61 2,-0.3 3,-0.1 3,-0.0 0, 0.0 0.191 121.8-103.7-104.6 7.6 -4.3 -5.5 25.5 49 52 A G S < S+ 0 0 50 -3,-2.4 2,-0.3 1,-0.3 0, 0.0 0.399 91.5 105.1 82.1 -3.5 -2.7 -8.5 27.2 50 53 A N S S- 0 0 59 1,-0.1 -4,-2.6 -5,-0.1 -2,-0.3 -0.783 70.7-134.9-107.1 154.9 0.6 -8.0 25.4 51 54 A I S S+ 0 0 46 -2,-0.3 2,-0.3 -6,-0.3 -7,-0.1 0.944 89.9 35.8 -66.8 -48.0 3.9 -6.6 26.7 52 55 A F S S- 0 0 15 -6,-0.1 2,-0.2 -10,-0.1 165,-0.1 -0.800 78.8-124.0-111.8 148.4 4.4 -4.3 23.7 53 56 A C - 0 0 1 163,-0.4 163,-0.2 -2,-0.3 2,-0.1 -0.561 28.5-126.8 -81.6 154.1 2.1 -2.2 21.4 54 57 A G > - 0 0 4 3,-0.2 3,-0.7 -2,-0.2 159,-0.2 -0.399 26.7-101.3 -88.5 175.9 2.2 -2.8 17.7 55 58 A M T 3 S+ 0 0 10 157,-3.1 158,-0.1 1,-0.2 27,-0.1 0.745 121.4 48.8 -74.0 -22.0 2.7 -0.2 15.0 56 59 A L T 3 S+ 0 0 76 156,-0.4 -1,-0.2 155,-0.2 157,-0.1 0.493 118.9 38.3 -93.0 -6.0 -1.0 0.0 14.2 57 60 A N S < S+ 0 0 75 -3,-0.7 -3,-0.2 2,-0.0 -1,-0.2 -0.297 78.7 172.9-136.5 53.8 -2.1 0.4 17.8 58 61 A P + 0 0 11 0, 0.0 2,-0.2 0, 0.0 11,-0.1 -0.325 5.6 160.7 -65.6 144.3 0.5 2.6 19.4 59 62 A D > - 0 0 40 -5,-0.1 3,-2.3 9,-0.1 4,-0.3 -0.670 61.3 -58.4-141.3-161.2 -0.1 3.8 23.0 60 63 A K G > S+ 0 0 72 1,-0.3 3,-1.4 -2,-0.2 31,-0.2 0.781 126.4 68.5 -62.4 -24.8 2.0 5.1 25.9 61 64 A R G 3 S+ 0 0 10 1,-0.3 31,-2.5 30,-0.2 -1,-0.3 0.656 90.7 65.0 -63.9 -16.8 4.2 2.0 25.8 62 65 A S G < S+ 0 0 3 -3,-2.3 2,-0.4 29,-0.2 31,-0.4 0.625 101.3 49.6 -75.6 -20.8 5.5 3.1 22.4 63 66 A S S < S- 0 0 13 -3,-1.4 28,-1.3 -4,-0.3 2,-1.0 -0.977 71.1-128.6-139.8 137.3 7.2 6.3 23.6 64 67 A W B S-H 90 0B 37 29,-2.2 26,-0.2 -2,-0.4 31,-0.2 -0.723 90.1 -34.7 -81.5 102.6 9.7 7.5 26.2 65 68 A F S S+ 0 0 65 24,-3.1 2,-0.3 -2,-1.0 -1,-0.2 0.886 96.8 136.9 48.7 57.0 8.0 10.6 27.8 66 69 A K - 0 0 39 -3,-0.3 23,-0.2 21,-0.3 -1,-0.2 -0.873 52.4-140.0-120.1 159.6 6.2 12.0 24.9 67 70 A N S S+ 0 0 121 -2,-0.3 19,-1.8 1,-0.2 2,-0.3 0.429 85.4 33.2-102.2 3.1 2.6 13.4 24.9 68 71 A R B S-I 85 0C 100 17,-0.3 17,-0.2 19,-0.1 -1,-0.2 -0.975 81.2-116.6-152.7 143.0 1.6 12.0 21.5 69 72 A T - 0 0 2 15,-2.4 2,-0.3 -2,-0.3 -9,-0.1 -0.347 30.7-145.0 -69.0 161.7 2.4 8.8 19.5 70 73 A E - 0 0 78 13,-0.1 3,-0.1 -8,-0.1 -1,-0.0 -0.936 14.4-109.2-131.7 151.6 4.3 9.2 16.2 71 74 A A - 0 0 21 -2,-0.3 5,-0.2 1,-0.1 3,-0.1 -0.529 44.7 -94.2 -69.6 146.2 4.1 7.2 13.0 72 75 A P > - 0 0 15 0, 0.0 3,-2.7 0, 0.0 4,-0.3 -0.321 58.7 -88.2 -54.8 139.7 7.1 5.0 11.9 73 76 A L T 3 S+ 0 0 39 1,-0.3 357,-0.1 2,-0.2 356,-0.0 -0.299 117.6 24.8 -59.3 128.3 9.4 7.1 9.7 74 77 A G T 3 S+ 0 0 1 355,-0.5 -1,-0.3 -3,-0.1 3,-0.2 0.071 112.6 72.4 102.5 -17.9 8.2 6.7 6.1 75 78 A S X> + 0 0 1 -3,-2.7 4,-2.7 1,-0.1 3,-1.7 0.317 51.0 112.1-118.0 12.6 4.6 5.8 7.0 76 79 A F H 3> S+ 0 0 106 353,-0.5 4,-1.7 -4,-0.3 5,-0.2 0.838 75.0 63.0 -49.2 -40.1 3.1 9.1 8.3 77 80 A L H 34 S+ 0 0 76 352,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.802 120.1 22.2 -60.9 -27.8 0.7 9.2 5.2 78 81 A W H <4 S+ 0 0 56 -3,-1.7 -2,-0.2 2,-0.1 -1,-0.2 0.694 127.7 43.9-110.0 -27.7 -0.9 5.9 6.3 79 82 A L H >< S+ 0 0 6 -4,-2.7 3,-1.4 -7,-0.2 4,-0.4 0.470 84.9 85.1-105.5 -4.1 -0.3 5.6 10.1 80 83 A D G >< S+ 0 0 56 -4,-1.7 3,-1.9 -5,-0.4 -1,-0.1 0.886 82.0 70.0 -62.9 -28.0 -1.0 9.2 11.3 81 84 A V G 3 S+ 0 0 110 1,-0.3 -1,-0.2 -5,-0.2 -2,-0.1 0.738 99.2 47.4 -59.1 -26.9 -4.6 8.0 11.5 82 85 A V G < S+ 0 0 37 -3,-1.4 -1,-0.3 -27,-0.1 -2,-0.2 0.470 86.1 114.7 -95.0 -1.4 -3.8 5.8 14.4 83 86 A N < + 0 0 5 -3,-1.9 2,-0.3 -4,-0.4 -13,-0.1 -0.343 42.1 177.9 -71.5 149.1 -1.8 8.3 16.4 84 87 A R - 0 0 142 -2,-0.0 -15,-2.4 -25,-0.0 2,-0.2 -0.984 35.2 -95.8-146.0 154.4 -3.2 9.4 19.7 85 88 A N B -I 68 0C 122 -2,-0.3 2,-0.3 -17,-0.2 -17,-0.3 -0.474 49.2-176.1 -65.2 143.7 -2.4 11.7 22.7 86 89 A I - 0 0 25 -19,-1.8 -27,-0.0 -2,-0.2 3,-0.0 -0.956 30.4 -98.8-140.7 158.5 -0.8 9.7 25.5 87 90 A D - 0 0 102 -2,-0.3 -21,-0.3 1,-0.1 2,-0.3 -0.518 49.7-101.4 -66.7 136.1 0.5 10.2 29.0 88 91 A P + 0 0 68 0, 0.0 2,-0.3 0, 0.0 -21,-0.1 -0.526 63.3 161.2 -60.1 129.9 4.2 10.8 29.3 89 92 A Y - 0 0 30 -26,-0.4 -24,-3.1 -2,-0.3 2,-2.4 -0.959 55.8 -92.0-152.4 158.1 5.4 7.3 30.4 90 93 A A B +H 64 0B 0 177,-1.9 -50,-0.4 -2,-0.3 -26,-0.2 -0.325 65.5 165.6 -77.4 58.6 8.6 5.2 30.5 91 94 A G - 0 0 0 -2,-2.4 -29,-0.2 -28,-1.3 -30,-0.2 -0.047 45.0-105.9 -74.7-178.2 7.8 3.6 27.1 92 95 A V S S+ 0 0 0 -31,-2.5 15,-2.4 124,-0.1 2,-0.5 0.720 93.0 56.0 -92.1 -23.4 10.3 1.7 25.0 93 96 A L E -J 106 0D 25 -31,-0.4 -29,-2.2 13,-0.2 2,-0.6 -0.949 61.0-165.2-117.5 125.3 11.3 3.9 22.1 94 97 A D E -J 105 0D 13 11,-3.2 11,-2.3 -2,-0.5 2,-0.8 -0.934 9.2-159.1-114.3 116.8 12.9 7.3 22.6 95 98 A R E -J 104 0D 77 -2,-0.6 2,-0.7 9,-0.2 9,-0.2 -0.842 17.4-158.1 -86.9 110.4 13.2 9.9 19.8 96 99 A V E -J 103 0D 26 7,-3.1 7,-2.7 -2,-0.8 2,-0.7 -0.850 6.8-150.8 -96.7 112.2 16.0 12.1 21.1 97 100 A N E +J 102 0D 90 -2,-0.7 5,-0.2 5,-0.2 2,-0.2 -0.798 19.2 174.1 -97.0 117.2 15.7 15.5 19.4 98 101 A Y - 0 0 43 3,-2.9 3,-0.5 -2,-0.7 299,-0.1 -0.511 53.5 -82.8-103.1 178.5 18.9 17.6 18.8 99 102 A D S S+ 0 0 133 297,-0.4 298,-0.1 1,-0.2 300,-0.1 0.878 121.1 1.9 -57.8 -42.8 19.0 20.8 16.9 100 103 A Q S S+ 0 0 66 298,-0.4 2,-0.3 296,-0.3 -1,-0.2 0.000 126.4 58.8-135.3 28.9 19.3 19.2 13.4 101 104 A M - 0 0 4 -3,-0.5 -3,-2.9 295,-0.1 2,-0.5 -0.947 56.9-155.8-158.7 136.7 19.2 15.5 14.1 102 105 A S E -Jk 97 441D 13 338,-2.0 340,-1.4 -2,-0.3 2,-0.5 -0.982 15.5-164.4-116.1 122.6 16.7 13.1 15.8 103 106 A V E -Jk 96 442D 0 -7,-2.7 -7,-3.1 -2,-0.5 2,-0.5 -0.930 7.3-148.7-112.1 125.9 18.2 9.9 17.2 104 107 A Y E +J 95 0D 33 338,-2.9 2,-0.3 -2,-0.5 -9,-0.2 -0.819 24.1 169.3 -98.1 132.1 16.0 7.0 18.1 105 108 A V E -J 94 0D 29 -11,-2.3 -11,-3.2 -2,-0.5 2,-0.2 -0.966 32.2-111.9-136.7 151.8 17.1 4.7 20.9 106 109 A G E -J 93 0D 11 -2,-0.3 2,-0.4 -13,-0.2 6,-0.3 -0.536 21.3-158.5 -81.1 152.2 15.7 1.9 23.0 107 110 A R + 0 0 38 -15,-2.4 -67,-0.5 4,-0.3 2,-0.3 -0.935 51.5 53.7-133.2 107.4 14.8 2.4 26.7 108 111 A G S > S- 0 0 0 -2,-0.4 3,-2.7 -69,-0.3 2,-0.7 -0.897 98.3 -36.9 156.0 177.7 14.6 -0.8 28.8 109 112 A V T 3 S+ 0 0 3 -69,-2.5 -67,-0.3 1,-0.3 117,-0.3 -0.561 133.0 27.2 -71.7 109.2 16.3 -4.0 29.8 110 113 A G T > S- 0 0 0 -2,-0.7 3,-1.9 -95,-0.4 115,-0.3 0.239 96.4-145.7 113.0 -9.1 18.0 -4.8 26.6 111 114 A G G X S- 0 0 8 -3,-2.7 3,-2.0 1,-0.3 4,-0.4 -0.129 73.7 -3.0 55.2-138.5 18.3 -1.4 25.2 112 115 A G G >> S+ 0 0 27 -6,-0.3 4,-1.8 1,-0.3 3,-0.9 0.708 119.9 78.5 -64.2 -17.6 18.0 -1.1 21.4 113 116 A S G <4 S+ 0 0 1 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.761 89.0 59.3 -61.7 -20.5 17.7 -4.8 21.1 114 117 A L G <4 S+ 0 0 2 -3,-2.0 104,-0.4 -4,-0.2 -1,-0.2 0.854 119.2 23.9 -71.2 -35.3 14.1 -4.4 22.2 115 118 A V T <4 S+ 0 0 12 -3,-0.9 -2,-0.2 -4,-0.4 -1,-0.2 0.447 97.3 104.2-113.5 -8.4 13.2 -2.1 19.3 116 119 A N S < S- 0 0 37 -4,-1.8 101,-0.1 1,-0.1 100,-0.0 -0.164 78.7-109.1 -82.8 172.2 15.6 -2.8 16.5 117 120 A G - 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0 0 55 4,-2.3 3,-1.6 -2,-0.3 -4,-1.1 -0.074 61.9 -78.3 -77.4-173.9 42.7 3.0 24.7 457 460 A D T 3 S+ 0 0 27 1,-0.3 -6,-0.1 -6,-0.2 -1,-0.1 0.500 132.7 46.8 -74.3 2.1 42.2 0.2 22.1 458 461 A Y T 3 S- 0 0 62 2,-0.1 -1,-0.3 36,-0.0 40,-0.1 0.172 124.2 -94.6-124.3 13.3 40.1 -1.8 24.6 459 462 A G S < S+ 0 0 0 -3,-1.6 10,-2.4 1,-0.3 2,-0.5 0.551 70.4 151.7 84.3 9.2 37.8 1.0 25.8 460 463 A R B -G 468 0A 46 8,-0.2 -4,-2.3 1,-0.1 -1,-0.3 -0.634 52.9-115.9 -71.8 121.2 39.7 2.0 28.9 461 464 A V B > -X 455 0K 1 6,-2.6 3,-1.8 -2,-0.5 -6,-0.3 -0.383 30.0-112.1 -65.2 128.8 38.9 5.7 29.3 462 465 A A T 3 S+ 0 0 34 -8,-2.2 -154,-0.4 1,-0.2 -1,-0.1 -0.355 100.1 25.4 -64.0 135.4 42.0 7.9 28.9 463 466 A G T 3 S+ 0 0 40 1,-0.2 2,-0.3 -156,-0.1 -1,-0.2 0.248 112.8 75.1 100.9 -11.8 43.1 9.5 32.2 464 467 A Y < - 0 0 30 -3,-1.8 2,-0.3 3,-0.2 3,-0.3 -0.964 65.5-137.1-139.6 149.3 41.5 6.9 34.5 465 468 A K S S+ 0 0 156 -2,-0.3 3,-0.1 1,-0.2 -3,-0.0 -0.827 88.6 12.7-101.1 144.4 42.0 3.4 35.8 466 469 A N S S+ 0 0 17 -2,-0.3 -184,-2.4 1,-0.2 2,-0.4 0.727 95.8 119.0 63.0 27.0 39.2 0.8 36.1 467 470 A L E +f 282 0A 0 -3,-0.3 -6,-2.6 -186,-0.2 2,-0.3 -0.994 40.9 177.9-126.3 118.9 36.9 3.0 34.0 468 471 A Y E -fG 283 460A 0 -186,-2.7 -184,-3.0 -2,-0.4 2,-0.4 -0.935 26.5-153.0-131.7 146.8 35.6 1.5 30.7 469 472 A V E +f 284 0A 2 -10,-2.4 -184,-0.2 -2,-0.3 -2,-0.0 -0.955 18.3 172.6-117.1 138.4 33.3 2.4 27.8 470 473 A T + 0 0 8 -186,-2.5 -185,-0.1 -2,-0.4 25,-0.1 0.394 43.7 64.4-126.3 -3.0 31.8 -0.6 26.1 471 474 A D S > S- 0 0 7 -187,-0.3 3,-2.2 -453,-0.1 4,-0.3 -0.142 98.3 -52.7-126.1-161.3 29.2 0.4 23.5 472 475 A G G > S+ 0 0 5 1,-0.3 -25,-2.4 2,-0.2 3,-1.1 0.674 114.9 76.4 -63.5 -14.5 28.4 2.2 20.2 473 476 A S G 3 S+ 0 0 0 1,-0.2 -24,-2.3 -27,-0.2 -1,-0.3 0.735 88.8 62.1 -63.8 -19.8 30.2 5.4 21.5 474 477 A L G < S+ 0 0 2 -3,-2.2 -23,-2.7 -24,-0.2 -1,-0.2 0.698 83.1 90.3 -74.0 -27.4 33.4 3.5 20.7 475 478 A I S < S- 0 0 1 -3,-1.1 2,-2.5 -4,-0.3 -26,-0.2 -0.605 85.2-119.3 -84.6 136.7 32.9 3.2 17.0 476 479 A P - 0 0 24 0, 0.0 -29,-0.1 0, 0.0 -161,-0.1 -0.341 61.2 -78.8 -78.7 64.5 34.2 6.0 14.8 477 480 A G S S+ 0 0 2 -2,-2.5 -159,-1.4 -5,-0.3 -158,-0.3 0.236 108.8 47.0 79.6 -15.7 30.9 7.1 13.2 478 481 A S + 0 0 2 -160,-0.2 -100,-0.1 -161,-0.1 -159,-0.0 -0.966 33.9 167.6-161.3 137.5 30.5 4.4 10.6 479 482 A V - 0 0 2 -2,-0.3 -355,-0.3 2,-0.2 -351,-0.1 0.402 49.4-123.9-131.7 -2.5 30.7 0.7 10.1 480 483 A G S S+ 0 0 2 -103,-0.3 2,-0.3 1,-0.2 -104,-0.1 0.420 86.4 50.9 82.1 -4.3 29.0 0.3 6.7 481 484 A V S S- 0 0 7 -360,-0.1 -2,-0.2 -104,-0.1 -1,-0.2 -0.906 110.9 -57.3-150.1 172.9 26.4 -2.2 8.0 482 485 A N - 0 0 10 -2,-0.3 -361,-0.5 1,-0.1 3,-0.4 -0.423 59.3-141.7 -58.2 131.3 23.8 -2.4 10.8 483 486 A P S > S+ 0 0 14 0, 0.0 4,-2.4 0, 0.0 3,-0.3 0.537 73.1 89.0 -87.0 -11.9 26.0 -2.0 13.9 484 487 A F H > S+ 0 0 14 -365,-0.3 4,-2.5 1,-0.2 5,-0.2 0.850 88.1 53.4 -67.0 -29.5 25.0 -4.3 16.7 485 488 A V H > S+ 0 0 3 -3,-0.4 4,-2.8 -364,-0.3 -1,-0.2 0.921 111.8 47.5 -64.2 -41.0 27.0 -7.3 15.7 486 489 A T H > S+ 0 0 1 -3,-0.3 4,-2.8 -365,-0.3 5,-0.3 0.918 111.5 49.9 -64.0 -45.6 30.1 -5.1 15.6 487 490 A I H X S+ 0 0 21 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.931 113.9 46.4 -55.8 -45.6 29.3 -3.6 19.0 488 491 A T H X S+ 0 0 0 -4,-2.5 4,-2.1 -5,-0.2 -2,-0.2 0.938 113.9 45.9 -63.4 -48.1 28.8 -7.0 20.4 489 492 A A H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.893 113.2 49.9 -64.7 -43.3 32.0 -8.5 19.0 490 493 A L H X S+ 0 0 3 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.897 110.2 51.6 -60.5 -41.6 34.1 -5.5 20.1 491 494 A A H X S+ 0 0 2 -4,-2.2 4,-2.6 -5,-0.3 5,-0.3 0.872 107.2 52.4 -65.7 -37.6 32.6 -5.8 23.5 492 495 A E H X S+ 0 0 0 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.934 112.7 45.3 -60.4 -48.3 33.6 -9.4 23.7 493 496 A R H X S+ 0 0 13 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.937 116.1 46.5 -57.6 -46.4 37.2 -8.5 22.7 494 497 A N H X S+ 0 0 5 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.941 112.2 45.4 -69.4 -48.9 37.4 -5.7 25.2 495 498 A V H X S+ 0 0 3 -4,-2.6 4,-2.7 1,-0.2 5,-0.3 0.871 110.0 55.6 -69.0 -33.8 35.9 -7.3 28.3 496 499 A E H X S+ 0 0 49 -4,-1.7 4,-2.2 -5,-0.3 -1,-0.2 0.955 112.6 42.6 -62.6 -42.8 38.0 -10.4 27.9 497 500 A R H X S+ 0 0 78 -4,-1.8 4,-2.6 -5,-0.2 5,-0.3 0.905 113.9 51.0 -66.1 -45.7 41.2 -8.3 27.8 498 501 A I H X>S+ 0 0 4 -4,-2.7 4,-2.9 2,-0.2 5,-1.0 0.906 110.8 48.3 -59.7 -44.6 40.1 -6.1 30.6 499 502 A I H X5S+ 0 0 31 -4,-2.7 4,-0.9 -5,-0.2 -1,-0.2 0.954 114.1 47.7 -62.9 -44.3 39.2 -9.0 32.9 500 503 A K H <5S+ 0 0 117 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.904 126.0 25.6 -60.4 -45.9 42.6 -10.7 32.1 501 504 A Q H <5S+ 0 0 116 -4,-2.6 -2,-0.2 -5,-0.1 -1,-0.2 0.761 133.5 24.7 -94.5 -27.6 44.8 -7.6 32.6 502 505 A D H <5 0 0 47 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.1 0.680 360.0 360.0-114.2 -29.7 42.9 -5.4 35.1 503 506 A V << 0 0 62 -5,-1.0 -1,-0.0 -4,-0.9 -472,-0.0 -0.735 360.0 360.0 -95.9 360.0 40.4 -7.4 37.2