==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 03-MAR-99 1CC2 . COMPND 2 MOLECULE: PROTEIN (CHOLESTEROL OXIDASE); . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES SP.; . AUTHOR A.VRIELINK,Q.K.YUE . 498 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18511.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 349 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 79 15.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 53 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 101 20.3 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 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 1 1 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 0 PARALLEL BRIDGES PER LADDER . 9 2 1 1 2 1 2 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 1 1 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 9 A G 0 0 84 0, 0.0 272,-2.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 42.4 26.1 1.2 48.9 2 10 A Y E +a 273 0A 132 270,-0.2 272,-0.2 252,-0.0 3,-0.1 -0.799 360.0 169.8-100.0 135.5 29.2 -0.6 47.7 3 11 A V E -a 274 0A 27 270,-2.1 272,-0.6 -2,-0.4 273,-0.2 -0.993 35.9-131.1-140.0 131.5 29.3 -3.1 44.8 4 12 A P E S+ 0 0 39 0, 0.0 272,-2.5 0, 0.0 271,-1.9 0.918 93.3 17.9 -49.0 -51.1 32.6 -4.4 43.3 5 13 A A E -ab 276 28A 0 22,-1.8 24,-2.0 270,-0.2 2,-0.4 -0.968 64.6-169.8-129.4 141.4 31.4 -3.7 39.8 6 14 A V E -ab 277 29A 0 270,-2.1 272,-2.8 -2,-0.4 2,-0.5 -0.999 5.5-162.5-128.5 129.0 28.7 -1.5 38.4 7 15 A V E -ab 278 30A 0 22,-3.1 24,-2.2 -2,-0.4 2,-0.7 -0.951 13.8-143.3-110.4 131.3 27.6 -1.5 34.8 8 16 A I E +ab 279 31A 9 270,-2.7 272,-2.6 -2,-0.5 24,-0.2 -0.884 66.8 1.0 -98.6 116.9 25.7 1.5 33.5 9 17 A G - 0 0 9 22,-3.4 22,-0.2 -2,-0.7 272,-0.2 -0.199 68.5-116.5 96.9 169.3 22.9 0.6 31.1 10 18 A T + 0 0 0 93,-0.3 95,-0.5 270,-0.2 -1,-0.1 -0.078 66.7 117.2-137.7 34.3 21.8 -2.8 29.7 11 19 A G S > S- 0 0 13 269,-0.9 4,-2.5 95,-0.1 5,-0.2 0.032 84.0 -66.7 -84.7-157.9 22.5 -2.6 26.0 12 20 A Y H > S+ 0 0 23 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.942 132.5 42.1 -59.4 -56.0 24.9 -4.7 23.9 13 21 A G H > S+ 0 0 1 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.869 118.7 46.6 -61.3 -39.2 28.2 -3.5 25.4 14 22 A A H > S+ 0 0 0 266,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.838 110.0 54.0 -70.6 -36.6 26.8 -3.6 28.9 15 23 A A H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.905 108.9 47.0 -64.6 -45.6 25.3 -7.1 28.4 16 24 A V H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 5,-0.3 0.953 112.8 51.6 -61.2 -46.8 28.5 -8.7 27.3 17 25 A S H X S+ 0 0 0 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.890 108.4 49.6 -56.2 -47.9 30.3 -7.0 30.2 18 26 A A H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.868 111.2 49.1 -62.8 -40.8 27.9 -8.3 32.9 19 27 A L H X S+ 0 0 2 -4,-1.8 4,-3.0 2,-0.2 5,-0.2 0.982 113.5 44.0 -63.3 -57.3 28.0 -11.9 31.7 20 28 A R H X S+ 0 0 38 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.838 115.2 49.8 -59.0 -35.1 31.8 -12.1 31.6 21 29 A L H <>S+ 0 0 0 -4,-2.1 5,-2.7 -5,-0.3 -1,-0.2 0.895 111.4 49.1 -70.6 -39.1 32.1 -10.4 34.9 22 30 A G H ><5S+ 0 0 4 -4,-2.1 3,-1.7 1,-0.2 -2,-0.2 0.937 110.6 50.0 -64.2 -45.5 29.5 -12.7 36.4 23 31 A E H 3<5S+ 0 0 116 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.821 106.8 55.4 -62.0 -32.5 31.3 -15.8 35.0 24 32 A A T 3<5S- 0 0 54 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.447 122.1-108.3 -80.1 -1.7 34.6 -14.5 36.5 25 33 A G T < 5 + 0 0 44 -3,-1.7 2,-0.5 1,-0.3 -3,-0.2 0.628 69.5 144.9 85.8 14.2 32.9 -14.3 39.9 26 34 A V < - 0 0 18 -5,-2.7 2,-0.5 -6,-0.2 -1,-0.3 -0.773 53.4-123.8 -90.7 124.7 32.7 -10.5 40.2 27 35 A Q - 0 0 76 -2,-0.5 -22,-1.8 207,-0.1 2,-0.4 -0.545 40.0-168.1 -67.4 117.5 29.6 -9.3 42.0 28 36 A T E -bc 5 234A 1 205,-3.1 207,-2.1 -2,-0.5 2,-0.5 -0.909 20.9-162.5-120.9 140.2 28.0 -6.9 39.5 29 37 A L E -bc 6 235A 9 -24,-2.0 -22,-3.1 -2,-0.4 2,-0.5 -0.975 9.3-158.6-119.1 125.2 25.2 -4.4 39.6 30 38 A M E -bc 7 236A 0 205,-2.5 207,-2.8 -2,-0.5 2,-0.5 -0.896 4.4-157.6-104.1 132.3 23.5 -3.1 36.4 31 39 A L E +bc 8 237A 2 -24,-2.2 -22,-3.4 -2,-0.5 2,-0.4 -0.961 13.8 178.3-113.2 124.3 21.7 0.2 36.5 32 40 A E E - c 0 238A 14 205,-2.4 208,-2.4 -2,-0.5 207,-0.5 -0.997 23.9-157.4-129.4 128.6 19.0 0.8 33.9 33 41 A M S S+ 0 0 33 -2,-0.4 208,-0.2 206,-0.3 227,-0.1 0.801 77.8 64.7 -73.7 -30.7 16.9 3.9 33.5 34 42 A G S S- 0 0 0 1,-0.1 205,-2.0 206,-0.1 69,-0.3 -0.047 92.6 -83.2 -80.8-171.2 14.1 2.2 31.6 35 43 A Q - 0 0 27 67,-0.5 69,-2.6 50,-0.3 2,-0.8 -0.451 28.7-112.8 -93.7 165.4 11.8 -0.7 32.6 36 44 A L - 0 0 81 67,-0.2 2,-1.6 -2,-0.1 3,-0.4 -0.893 37.0-140.8 -93.5 112.2 12.1 -4.5 32.8 37 45 A W + 0 0 16 -2,-0.8 9,-0.1 67,-0.3 10,-0.1 -0.551 68.1 105.7 -83.0 79.0 9.6 -5.4 30.1 38 46 A N + 0 0 86 -2,-1.6 -1,-0.2 8,-0.1 8,-0.0 0.301 50.8 97.8-132.8 5.0 7.9 -8.5 31.5 39 47 A Q S S- 0 0 136 -3,-0.4 2,-0.2 7,-0.1 6,-0.0 -0.854 71.7-124.6-102.4 129.1 4.5 -7.1 32.5 40 48 A P - 0 0 81 0, 0.0 6,-0.3 0, 0.0 5,-0.2 -0.536 29.0-137.7 -73.6 132.2 1.4 -7.5 30.2 41 49 A G > - 0 0 24 4,-5.2 3,-1.7 -2,-0.2 6,-0.1 0.164 39.5 -69.6 -74.6-165.1 -0.3 -4.2 29.3 42 50 A P T 3 S+ 0 0 123 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.696 134.1 50.4 -61.3 -23.8 -4.0 -3.2 29.1 43 51 A D T 3 S- 0 0 68 2,-0.3 3,-0.1 3,-0.0 -2,-0.0 0.294 121.7-104.5 -98.4 6.9 -4.4 -5.4 26.0 44 52 A G S < S+ 0 0 52 -3,-1.7 2,-0.2 1,-0.3 0, 0.0 0.205 91.6 105.5 89.3 -17.2 -2.8 -8.5 27.6 45 53 A N - 0 0 62 -5,-0.2 -4,-5.2 1,-0.1 -1,-0.3 -0.561 68.8-138.3 -94.4 160.8 0.4 -7.9 25.6 46 54 A I S S+ 0 0 48 -6,-0.3 2,-0.3 -2,-0.2 -1,-0.1 0.918 89.0 34.3 -81.7 -46.7 3.7 -6.6 26.9 47 55 A F S S- 0 0 15 -6,-0.1 2,-0.2 -10,-0.1 165,-0.1 -0.771 81.2-123.9-110.5 152.1 4.5 -4.3 23.9 48 56 A C - 0 0 1 163,-0.4 163,-0.2 -2,-0.3 2,-0.1 -0.596 27.8-120.5 -91.8 152.8 2.1 -2.4 21.7 49 57 A G - 0 0 1 3,-0.3 3,-0.4 -2,-0.2 159,-0.2 -0.364 24.3-107.8 -84.0 174.3 2.1 -2.9 18.0 50 58 A M S S+ 0 0 10 157,-2.6 158,-0.1 1,-0.2 27,-0.1 0.718 119.5 51.6 -76.1 -19.2 2.8 -0.2 15.4 51 59 A L S S+ 0 0 70 156,-0.5 -1,-0.2 155,-0.2 157,-0.1 0.596 118.6 36.2 -90.7 -13.2 -0.9 -0.1 14.4 52 60 A N S S+ 0 0 79 -3,-0.4 -3,-0.3 2,-0.0 -1,-0.2 -0.312 81.2 175.4-135.6 53.8 -2.1 0.4 18.0 53 61 A P + 0 0 10 0, 0.0 2,-0.2 0, 0.0 11,-0.1 -0.238 5.1 160.8 -64.3 143.6 0.5 2.6 19.7 54 62 A D > - 0 0 39 -5,-0.1 3,-2.1 9,-0.1 4,-0.4 -0.708 60.0 -57.2-141.6-163.8 0.0 3.8 23.3 55 63 A K G > S+ 0 0 75 1,-0.3 3,-0.8 -2,-0.2 29,-0.2 0.743 125.2 67.7 -57.1 -23.0 2.1 5.2 26.2 56 64 A R G 3 S+ 0 0 12 1,-0.2 31,-2.6 30,-0.2 -1,-0.3 0.706 91.3 63.8 -69.6 -20.6 4.3 2.0 26.1 57 65 A S G < S+ 0 0 0 -3,-2.1 31,-0.7 29,-0.2 2,-0.4 0.703 101.4 47.9 -78.4 -22.1 5.6 3.1 22.7 58 66 A S B < S-h 88 0B 13 -3,-0.8 28,-1.3 -4,-0.4 2,-0.9 -0.943 73.9-122.7-131.9 149.3 7.4 6.3 23.8 59 67 A W B S-K 85 0C 35 29,-2.0 31,-0.2 -2,-0.4 26,-0.2 -0.739 88.6 -36.3 -87.2 104.1 9.7 7.7 26.4 60 68 A F S S+ 0 0 61 24,-3.3 2,-0.3 -2,-0.9 -1,-0.2 0.861 94.5 137.3 45.0 60.9 7.9 10.6 28.1 61 69 A K - 0 0 48 -3,-0.3 23,-0.2 21,-0.2 -1,-0.2 -0.799 54.3-135.5-121.7 164.9 6.0 12.2 25.2 62 70 A N S S+ 0 0 120 -2,-0.3 19,-1.3 1,-0.2 2,-0.3 0.310 87.5 29.2-105.8 10.0 2.4 13.5 25.2 63 71 A R B S-L 80 0D 102 17,-0.3 17,-0.2 -9,-0.1 -1,-0.2 -0.956 79.9-113.9-165.5 143.4 1.5 11.9 21.9 64 72 A T - 0 0 2 15,-2.2 2,-0.4 -2,-0.3 14,-0.1 -0.318 28.6-144.8 -75.9 163.2 2.5 8.9 19.8 65 73 A E - 0 0 77 13,-0.1 3,-0.1 -2,-0.0 10,-0.0 -0.989 15.8-112.8-133.3 145.2 4.3 9.2 16.4 66 74 A A - 0 0 18 -2,-0.4 5,-0.2 1,-0.1 3,-0.1 -0.436 46.2 -95.6 -73.3 142.9 4.1 7.3 13.2 67 75 A P > - 0 0 19 0, 0.0 3,-2.6 0, 0.0 4,-0.2 -0.340 56.8 -82.5 -59.7 141.0 7.3 5.3 12.3 68 76 A L T 3 S+ 0 0 36 1,-0.3 357,-0.1 2,-0.1 356,-0.0 -0.207 118.3 19.9 -50.1 120.6 9.6 7.2 9.9 69 77 A G T 3 S+ 0 0 2 355,-0.5 -1,-0.3 -3,-0.1 3,-0.2 0.168 111.0 75.5 103.7 -13.4 8.3 6.7 6.3 70 78 A S X> + 0 0 2 -3,-2.6 4,-3.1 1,-0.1 3,-1.6 0.179 52.0 114.4-116.1 18.2 4.8 5.7 7.2 71 79 A F H 3> S+ 0 0 112 353,-0.6 4,-1.5 1,-0.3 5,-0.2 0.882 72.0 61.6 -54.8 -42.9 3.2 9.0 8.2 72 80 A L H 34 S+ 0 0 80 352,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.664 121.4 21.8 -60.0 -18.1 0.8 9.0 5.3 73 81 A W H <4 S+ 0 0 56 -3,-1.6 3,-0.3 2,-0.0 -2,-0.2 0.687 126.2 43.2-120.4 -33.1 -0.8 5.8 6.5 74 82 A L H >< S+ 0 0 6 -4,-3.1 3,-1.1 1,-0.2 4,-0.3 0.457 86.3 85.7 -98.9 -0.4 -0.1 5.4 10.2 75 83 A D G >< S+ 0 0 57 -4,-1.5 3,-1.4 -5,-0.3 -1,-0.2 0.831 80.9 69.3 -67.8 -25.8 -0.8 9.0 11.4 76 84 A V G 3 S+ 0 0 109 -3,-0.3 -1,-0.2 1,-0.3 -2,-0.1 0.716 95.5 52.2 -63.1 -24.4 -4.4 8.0 11.7 77 85 A V G < S+ 0 0 36 -3,-1.1 -1,-0.3 -27,-0.1 -2,-0.2 0.491 84.2 116.5 -92.6 -3.2 -3.8 5.7 14.6 78 86 A N < + 0 0 5 -3,-1.4 2,-0.3 -4,-0.3 -13,-0.1 -0.280 39.6 175.4 -65.7 149.5 -1.9 8.3 16.7 79 87 A R - 0 0 146 -25,-0.0 -15,-2.2 -26,-0.0 2,-0.2 -0.956 36.3 -94.3-149.7 162.6 -3.4 9.4 20.0 80 88 A N B -L 63 0D 125 -2,-0.3 2,-0.3 -17,-0.2 -17,-0.3 -0.605 47.3-172.6 -79.0 145.5 -2.5 11.6 23.0 81 89 A I - 0 0 22 -19,-1.3 3,-0.0 -2,-0.2 -27,-0.0 -0.960 29.3-104.9-140.6 155.3 -0.8 9.8 25.8 82 90 A D - 0 0 123 -2,-0.3 -21,-0.2 1,-0.1 -22,-0.1 -0.603 53.4 -95.9 -78.1 137.6 0.3 10.4 29.4 83 91 A P + 0 0 63 0, 0.0 2,-0.3 0, 0.0 -21,-0.1 -0.390 62.6 165.7 -55.3 127.7 4.1 10.7 29.6 84 92 A Y - 0 0 32 -26,-0.4 -24,-3.3 -29,-0.2 2,-2.4 -0.920 53.4 -92.6-144.4 164.7 5.4 7.3 30.6 85 93 A A B +K 59 0C 1 177,-1.4 -50,-0.3 -2,-0.3 -26,-0.2 -0.410 64.7 171.7 -78.5 63.7 8.6 5.2 30.7 86 94 A G - 0 0 0 -2,-2.4 -29,-0.2 -28,-1.3 -30,-0.2 -0.059 41.4-112.0 -67.2 177.5 7.9 3.8 27.2 87 95 A V S S+ 0 0 0 -31,-2.6 15,-2.7 124,-0.1 2,-0.5 0.773 92.3 58.8 -88.1 -28.9 10.3 1.7 25.2 88 96 A L E -hI 58 101B 21 -31,-0.7 -29,-2.0 -32,-0.2 2,-0.5 -0.910 61.6-168.0-111.6 127.5 11.3 4.0 22.3 89 97 A D E - I 0 100B 11 11,-3.0 11,-2.8 -2,-0.5 2,-0.7 -0.935 9.7-161.0-116.5 126.5 13.0 7.4 22.8 90 98 A R E - I 0 99B 76 -2,-0.5 2,-0.7 -31,-0.2 9,-0.2 -0.938 14.2-160.6-102.6 109.4 13.4 10.0 20.1 91 99 A V E - I 0 98B 28 7,-3.2 7,-3.0 -2,-0.7 2,-0.6 -0.881 7.9-151.9 -97.2 116.9 16.2 12.4 21.3 92 100 A N E + I 0 97B 88 -2,-0.7 5,-0.2 5,-0.2 2,-0.2 -0.799 18.9 172.5 -97.0 120.9 16.0 15.7 19.4 93 101 A Y - 0 0 42 3,-2.9 3,-0.3 -2,-0.6 299,-0.1 -0.440 54.9 -75.1-106.3-174.2 19.1 17.8 18.9 94 102 A D S S- 0 0 116 297,-0.5 300,-0.1 1,-0.2 298,-0.1 0.941 122.6 -3.3 -49.6 -60.4 19.3 21.0 16.8 95 103 A Q S S+ 0 0 42 298,-0.6 2,-0.3 296,-0.2 -1,-0.2 -0.087 125.1 68.6-129.2 36.2 19.4 19.3 13.4 96 104 A M - 0 0 3 -3,-0.3 -3,-2.9 295,-0.1 2,-0.5 -0.942 55.0-158.8-159.2 128.4 19.3 15.6 14.3 97 105 A S E -Ij 92 436B 12 338,-2.1 340,-1.9 -2,-0.3 2,-0.5 -0.956 15.3-162.9-111.0 120.0 16.8 13.2 15.9 98 106 A V E -Ij 91 437B 0 -7,-3.0 -7,-3.2 -2,-0.5 2,-0.5 -0.903 5.7-151.3-108.5 122.6 18.3 10.1 17.4 99 107 A Y E +I 90 0B 26 338,-3.0 2,-0.3 -2,-0.5 -9,-0.2 -0.783 24.0 166.3 -94.4 125.2 16.1 7.0 18.2 100 108 A V E -I 89 0B 29 -11,-2.8 -11,-3.0 -2,-0.5 2,-0.2 -0.980 32.9-116.7-137.4 148.4 17.3 4.8 21.1 101 109 A G E -I 88 0B 13 -2,-0.3 2,-0.4 -13,-0.2 6,-0.2 -0.549 21.2-154.3 -83.6 152.8 15.6 2.1 23.1 102 110 A R + 0 0 41 -15,-2.7 -67,-0.5 4,-0.2 2,-0.2 -0.966 51.1 51.2-131.8 116.6 14.9 2.5 26.9 103 111 A G S > S- 0 0 0 -2,-0.4 3,-2.5 -69,-0.3 2,-0.7 -0.855 98.0 -34.9 147.5 177.0 14.7 -0.6 29.1 104 112 A V T 3 S+ 0 0 3 -69,-2.6 -67,-0.3 1,-0.3 117,-0.3 -0.565 132.7 30.0 -68.7 109.9 16.4 -3.8 30.1 105 113 A G T > S- 0 0 0 -2,-0.7 3,-1.8 -95,-0.5 115,-0.3 0.188 96.0-148.8 122.1 -12.0 18.0 -4.9 26.8 106 114 A G G X S- 0 0 9 -3,-2.5 3,-1.2 1,-0.3 4,-0.4 -0.199 71.6 -3.2 54.0-130.7 18.4 -1.4 25.5 107 115 A G G 3> S+ 0 0 28 1,-0.2 4,-1.5 -6,-0.2 3,-0.5 0.641 120.1 77.2 -68.5 -16.7 18.2 -1.1 21.7 108 116 A S G <4 S+ 0 0 1 -3,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.772 88.9 60.3 -64.8 -24.0 17.7 -4.8 21.2 109 117 A L T <4 S+ 0 0 2 -3,-1.2 104,-0.3 -4,-0.2 -1,-0.2 0.872 117.4 27.3 -71.1 -35.1 14.1 -4.4 22.4 110 118 A V T 4 S+ 0 0 20 -3,-0.5 -2,-0.2 -4,-0.4 -1,-0.2 0.453 98.5 101.6-109.3 -3.9 13.3 -2.0 19.5 111 119 A N S < S- 0 0 36 -4,-1.5 101,-0.1 1,-0.1 100,-0.0 -0.314 77.7-115.7 -82.9 167.8 15.6 -2.9 16.7 112 120 A G - 0 0 20 2,-0.1 75,-0.2 -2,-0.1 -1,-0.1 0.259 47.3-121.1 -82.1 10.6 15.0 -5.0 13.5 113 121 A G + 0 0 0 1,-0.2 73,-1.1 72,-0.1 2,-0.5 0.514 51.2 163.6 64.0 8.8 17.4 -7.6 14.7 114 122 A M B -M 185 0E 11 71,-0.2 2,-0.7 72,-0.1 365,-0.3 -0.473 18.1-167.5 -65.5 112.4 19.7 -7.4 11.7 115 123 A A + 0 0 2 69,-1.6 2,-0.4 -2,-0.5 -1,-0.1 -0.893 18.8 160.6-105.3 105.0 23.0 -9.0 12.7 116 124 A V - 0 0 19 -2,-0.7 365,-0.3 361,-0.6 364,-0.3 -0.962 34.0-136.3-129.8 144.2 25.7 -8.2 10.1 117 125 A E - 0 0 71 -2,-0.4 3,-0.1 363,-0.1 360,-0.1 -0.821 30.1-118.7 -97.4 135.8 29.5 -8.4 10.2 118 126 A P - 0 0 4 0, 0.0 357,-0.1 0, 0.0 2,-0.1 -0.306 38.6 -87.7 -70.3 154.8 31.3 -5.4 8.6 119 127 A K > - 0 0 70 355,-0.3 4,-2.4 1,-0.1 3,-0.2 -0.418 34.1-133.4 -60.4 138.1 33.7 -5.9 5.6 120 128 A R H > S+ 0 0 89 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.918 104.9 54.6 -61.4 -45.0 37.1 -6.8 7.0 121 129 A S H > S+ 0 0 59 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.824 112.0 44.7 -59.0 -34.4 38.9 -4.3 4.6 122 130 A Y H > S+ 0 0 7 2,-0.2 4,-2.4 -3,-0.2 -1,-0.2 0.889 108.9 55.7 -76.6 -41.3 36.6 -1.5 6.0 123 131 A F H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.898 107.5 50.6 -56.1 -41.0 37.1 -2.6 9.6 124 132 A E H < S+ 0 0 86 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.838 109.1 51.8 -67.1 -32.1 40.9 -2.3 9.1 125 133 A E H < S+ 0 0 97 -4,-0.9 -2,-0.2 -3,-0.2 -1,-0.2 0.939 114.3 41.0 -70.2 -46.8 40.4 1.2 7.6 126 134 A I H < S+ 0 0 25 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.758 129.3 25.5 -75.7 -27.7 38.3 2.5 10.5 127 135 A L >< + 0 0 9 -4,-1.9 3,-1.7 -5,-0.2 -1,-0.2 -0.482 65.3 163.8-138.5 68.0 40.3 0.9 13.4 128 136 A P T 3 S+ 0 0 107 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.633 73.7 61.1 -59.8 -19.5 43.9 0.3 12.2 129 137 A R T 3 S+ 0 0 174 2,-0.1 2,-0.3 3,-0.0 323,-0.1 0.593 89.5 84.8 -85.3 -13.2 45.2 -0.2 15.8 130 138 A V S < S- 0 0 12 -3,-1.7 2,-0.8 -6,-0.1 -3,-0.1 -0.718 87.0-116.0 -92.2 140.8 43.0 -3.2 16.4 131 139 A D > - 0 0 76 -2,-0.3 4,-1.0 1,-0.2 3,-0.2 -0.664 25.3-166.1 -77.8 108.7 44.1 -6.7 15.3 132 140 A S H > S+ 0 0 11 -2,-0.8 4,-2.6 1,-0.2 5,-0.2 0.777 81.3 62.9 -66.9 -29.3 41.5 -7.7 12.7 133 141 A S H > S+ 0 0 48 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.931 102.4 49.0 -63.2 -45.5 42.5 -11.4 12.7 134 142 A E H >>S+ 0 0 71 1,-0.2 4,-1.8 2,-0.2 5,-1.7 0.835 112.7 49.8 -61.9 -36.0 41.5 -11.9 16.4 135 143 A M H <>S+ 0 0 0 -4,-1.0 5,-3.2 3,-0.2 -2,-0.2 0.953 115.9 39.2 -67.9 -52.4 38.1 -10.2 15.7 136 144 A Y H <5S+ 0 0 35 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.794 122.8 40.8 -70.9 -27.5 37.2 -12.2 12.6 137 145 A D H <5S+ 0 0 114 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.860 134.9 5.1 -90.3 -38.0 38.5 -15.5 13.9 138 146 A R T X5S+ 0 0 145 -4,-1.8 4,-1.6 -5,-0.3 -3,-0.2 0.834 125.0 42.6-114.5 -53.6 37.4 -15.4 17.6 139 147 A Y H > S+ 0 0 57 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.894 112.3 50.7 -61.5 -37.3 32.0 -15.9 15.8 142 150 A R H X S+ 0 0 62 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.881 110.2 49.9 -66.3 -38.4 31.6 -15.7 19.5 143 151 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.933 108.8 50.6 -65.9 -47.4 29.2 -12.7 19.2 144 152 A N H X>S+ 0 0 38 -4,-2.4 5,-2.1 1,-0.2 4,-0.6 0.869 111.0 49.8 -58.7 -40.1 27.0 -14.4 16.6 145 153 A S H ><5S+ 0 0 96 -4,-1.7 3,-0.7 -5,-0.2 -1,-0.2 0.934 113.4 42.9 -66.9 -48.9 26.6 -17.6 18.7 146 154 A M H 3<5S+ 0 0 52 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.792 111.0 55.6 -69.1 -30.0 25.6 -15.9 21.9 147 155 A L H 3<5S- 0 0 4 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.636 109.6-123.8 -75.9 -14.7 23.2 -13.4 20.1 148 156 A R T <<5 - 0 0 122 -3,-0.7 -3,-0.2 -4,-0.6 70,-0.1 0.843 39.8-174.5 71.1 38.7 21.4 -16.4 18.6 149 157 A V < + 0 0 30 -5,-2.1 2,-0.3 -6,-0.2 37,-0.2 -0.347 6.7 175.9 -63.0 138.7 21.9 -15.2 15.1 150 158 A N B -N 185 0E 38 35,-2.4 35,-2.0 37,-0.1 2,-0.3 -0.950 24.2-118.7-144.3 165.8 20.1 -17.4 12.5 151 159 A H - 0 0 142 -2,-0.3 2,-0.1 33,-0.2 38,-0.1 -0.821 25.1-115.0-112.4 148.6 19.4 -17.5 8.8 152 160 A I - 0 0 16 -2,-0.3 2,-0.7 31,-0.2 38,-0.1 -0.450 33.9-106.8 -77.4 148.4 16.1 -17.4 6.9 153 161 A D > - 0 0 77 1,-0.2 4,-2.3 36,-0.1 5,-0.2 -0.706 26.8-151.3 -76.1 115.8 15.0 -20.4 4.8 154 162 A T H > S+ 0 0 84 -2,-0.7 4,-1.4 1,-0.2 -1,-0.2 0.757 92.1 53.8 -62.1 -26.0 15.6 -19.3 1.2 155 163 A K H > S+ 0 0 152 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.917 110.3 45.1 -75.6 -42.1 12.8 -21.5 -0.1 156 164 A W H >> S+ 0 0 35 1,-0.2 4,-2.5 2,-0.2 3,-0.8 0.917 112.3 53.0 -63.8 -44.5 10.1 -20.1 2.3 157 165 A F H 3< S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.2 6,-0.2 0.873 106.2 54.5 -57.0 -40.5 11.4 -16.5 1.6 158 166 A E H 3< S+ 0 0 76 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.735 119.4 29.8 -69.0 -24.4 11.0 -17.2 -2.2 159 167 A D H << S+ 0 0 116 -4,-1.0 -2,-0.2 -3,-0.8 -1,-0.2 0.648 92.2 103.0-112.2 -18.2 7.3 -18.2 -1.9 160 168 A T >< - 0 0 14 -4,-2.5 3,-1.0 -5,-0.1 -4,-0.0 -0.425 62.5-143.0 -72.2 139.1 5.8 -16.4 1.0 161 169 A E G > S+ 0 0 106 1,-0.2 3,-1.4 2,-0.1 4,-0.3 0.756 95.5 73.9 -69.3 -24.0 3.6 -13.3 0.4 162 170 A W G 3 S+ 0 0 32 1,-0.3 171,-2.5 2,-0.1 -1,-0.2 0.642 101.2 39.8 -64.9 -19.0 5.2 -11.7 3.5 163 171 A Y G <> S+ 0 0 0 -3,-1.0 4,-1.6 -6,-0.2 -1,-0.3 -0.004 78.4 109.3-120.7 28.8 8.5 -11.0 1.7 164 172 A K H <> S+ 0 0 58 -3,-1.4 4,-2.4 167,-0.4 5,-0.2 0.881 75.0 60.0 -70.5 -36.2 7.1 -10.0 -1.7 165 173 A F H > S+ 0 0 7 163,-0.5 4,-1.5 -4,-0.3 -1,-0.2 0.832 107.0 48.7 -58.6 -33.3 8.2 -6.3 -1.1 166 174 A A H > S+ 0 0 1 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.900 110.3 48.3 -73.8 -43.4 11.7 -7.7 -0.8 167 175 A R H X S+ 0 0 43 -4,-1.6 4,-1.6 1,-0.2 -2,-0.2 0.828 108.3 56.8 -67.0 -31.8 11.6 -9.8 -4.0 168 176 A V H X S+ 0 0 17 -4,-2.4 4,-1.9 1,-0.2 3,-0.2 0.948 108.7 44.5 -64.1 -49.2 10.2 -6.8 -5.8 169 177 A S H X S+ 0 0 2 -4,-1.5 4,-2.8 1,-0.2 5,-0.2 0.812 109.6 56.9 -65.5 -32.1 13.2 -4.5 -4.9 170 178 A R H X S+ 0 0 67 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.863 107.2 48.9 -66.8 -35.5 15.6 -7.3 -5.7 171 179 A E H X S+ 0 0 76 -4,-1.6 4,-1.5 -3,-0.2 -2,-0.2 0.906 113.5 46.8 -68.8 -42.6 14.2 -7.5 -9.2 172 180 A Q H X S+ 0 0 3 -4,-1.9 4,-0.9 2,-0.2 3,-0.3 0.946 113.6 46.3 -64.0 -51.8 14.5 -3.7 -9.6 173 181 A A H ><>S+ 0 0 0 -4,-2.8 5,-2.8 1,-0.2 3,-0.7 0.868 107.8 59.0 -59.6 -38.5 18.1 -3.6 -8.3 174 182 A G H ><5S+ 0 0 43 -4,-1.9 3,-1.8 1,-0.3 -1,-0.2 0.891 100.3 55.9 -58.3 -40.6 19.0 -6.5 -10.5 175 183 A K H 3<5S+ 0 0 137 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.762 105.0 52.2 -63.1 -28.8 18.0 -4.5 -13.6 176 184 A A T <<5S- 0 0 17 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.211 124.6-105.8 -91.4 12.9 20.4 -1.8 -12.6 177 185 A G T < 5S+ 0 0 69 -3,-1.8 2,-0.3 1,-0.3 -3,-0.2 0.632 79.6 133.2 72.9 15.7 23.1 -4.4 -12.3 178 186 A L < - 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