==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PLANT PROTEIN 14-JUN-12 4AXU . COMPND 2 MOLECULE: THAUMATIN-1; . SOURCE 2 ORGANISM_SCIENTIFIC: THAUMATOCOCCUS DANIELLII; . AUTHOR F.CIPRIANI,M.ROWER,C.LANDRET,U.ZANDER,F.FELISAZ,J.A.MARQUEZ . 206 1 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9781.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 118 57.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 57 27.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.0 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 . 14 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 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 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 4 1 2 1 4 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 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 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 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 1 A A 0 0 30 0, 0.0 40,-2.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 142.8 7.5 -17.0 -10.1 2 2 A T E -A 40 0A 49 38,-0.2 197,-2.5 195,-0.0 2,-0.4 -0.813 360.0-172.3 -94.7 144.5 9.4 -15.5 -12.9 3 3 A F E -Ab 39 199A 0 36,-2.3 36,-2.7 -2,-0.4 2,-0.6 -0.987 10.0-157.1-130.4 111.0 12.9 -14.0 -12.5 4 4 A E E -Ab 38 200A 53 195,-2.4 197,-2.6 -2,-0.4 2,-0.6 -0.836 10.6-158.1 -87.6 121.3 14.2 -12.2 -15.6 5 5 A I E -Ab 37 201A 0 32,-2.8 32,-2.7 -2,-0.6 2,-0.5 -0.955 11.6-172.0-106.6 117.6 18.0 -12.1 -15.3 6 6 A V E -Ab 36 202A 14 195,-2.9 197,-2.9 -2,-0.6 2,-0.8 -0.956 17.1-150.7-120.2 125.3 19.6 -9.4 -17.3 7 7 A N E + b 0 203A 0 28,-2.7 27,-3.2 -2,-0.5 28,-0.1 -0.844 24.6 163.2 -97.2 103.2 23.3 -8.8 -17.9 8 8 A R + 0 0 139 195,-2.1 196,-0.2 -2,-0.8 -1,-0.1 0.398 43.4 112.3 -91.9 -2.5 23.9 -5.1 -18.5 9 9 A a S S- 0 0 2 2,-0.2 25,-0.2 194,-0.1 4,-0.1 -0.373 76.8-125.3 -65.7 158.6 27.7 -5.5 -17.9 10 10 A S S S+ 0 0 112 23,-0.1 2,-0.3 2,-0.1 23,-0.2 0.539 93.3 63.7 -77.4 -8.1 30.1 -5.1 -20.7 11 11 A Y S S- 0 0 93 21,-0.1 -2,-0.2 1,-0.0 2,-0.1 -0.808 94.5 -96.8-114.6 156.0 31.5 -8.6 -20.0 12 12 A T - 0 0 43 -2,-0.3 43,-0.4 21,-0.1 2,-0.3 -0.410 39.4-171.8 -67.4 139.5 29.9 -12.0 -20.1 13 13 A V E -E 31 0B 0 18,-2.2 18,-3.4 41,-0.1 2,-0.6 -0.930 22.0-135.6-125.8 159.5 28.6 -13.4 -16.9 14 14 A W E -EF 30 53B 31 39,-2.4 39,-1.2 -2,-0.3 16,-0.3 -0.944 27.5-144.1-113.0 102.3 27.3 -16.9 -16.1 15 15 A A E -EF 29 52B 0 14,-1.9 14,-1.7 -2,-0.6 2,-0.3 -0.367 16.2-164.4 -64.3 152.7 24.2 -16.5 -14.1 16 16 A A E -EF 28 51B 0 35,-2.4 35,-1.9 12,-0.2 2,-0.3 -0.988 11.1-174.8-139.6 147.7 23.5 -19.0 -11.3 17 17 A A E + F 0 50B 0 10,-2.3 7,-2.2 -2,-0.3 2,-0.3 -0.953 20.6 144.1-148.7 124.3 20.3 -19.8 -9.3 18 18 A S E -EF 23 49B 0 31,-2.2 31,-2.6 -2,-0.3 5,-0.2 -0.983 45.8-146.9-152.6 157.1 20.2 -22.3 -6.4 19 19 A K - 0 0 80 3,-2.6 4,-0.1 -2,-0.3 60,-0.1 0.157 63.8-100.8-114.5 19.4 18.5 -22.9 -3.1 20 20 A G S S+ 0 0 15 2,-0.5 60,-0.4 29,-0.1 3,-0.1 -0.116 117.0 44.4 102.8 -40.4 21.6 -24.6 -1.7 21 21 A D S S+ 0 0 101 1,-0.2 2,-0.3 58,-0.1 58,-0.2 0.240 121.9 21.7-118.1 8.6 20.6 -28.2 -2.1 22 22 A A S S- 0 0 35 56,-0.2 -3,-2.6 5,-0.0 -2,-0.5 -0.962 80.4 -98.9-167.3 153.9 19.1 -27.9 -5.5 23 23 A A E -E 18 0B 39 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.3 -0.425 28.2-132.5 -67.2 149.7 19.1 -25.9 -8.7 24 24 A L E > S- 0 0 9 -7,-2.2 3,-2.1 53,-0.3 -7,-0.2 -0.955 77.2 -34.7 -98.7 128.5 16.4 -23.3 -9.4 25 25 A D E 3 S- 0 0 75 -2,-0.5 -2,-0.1 1,-0.3 14,-0.1 -0.332 135.0 -18.0 54.2-137.5 15.2 -23.9 -13.0 26 26 A A E 3 S- 0 0 36 1,-0.1 -1,-0.3 -3,-0.1 -3,-0.1 0.664 88.9-131.2 -70.9 -13.2 18.3 -25.0 -15.0 27 27 A G E < S+ 0 0 0 -3,-2.1 -10,-2.3 49,-0.2 50,-0.5 0.007 72.1 13.0 85.8 -26.3 20.6 -23.6 -12.3 28 28 A G E +E 16 0B 2 -12,-0.3 2,-0.3 48,-0.2 -12,-0.2 -0.953 55.1 173.5-172.6 159.9 22.9 -21.6 -14.6 29 29 A R E -E 15 0B 82 -14,-1.7 -14,-1.9 -2,-0.3 2,-0.3 -0.949 38.0 -97.5-164.8 153.5 23.5 -20.2 -18.0 30 30 A Q E -E 14 0B 82 -2,-0.3 2,-0.5 -16,-0.3 -16,-0.3 -0.540 32.2-166.7 -72.9 139.0 25.8 -18.0 -20.0 31 31 A L E -E 13 0B 0 -18,-3.4 -18,-2.2 -2,-0.3 3,-0.1 -0.923 5.6-158.2-127.0 100.8 24.7 -14.3 -20.4 32 32 A N > - 0 0 61 -2,-0.5 3,-2.6 -20,-0.2 -25,-0.3 -0.248 50.9 -62.7 -67.7 166.4 26.6 -12.3 -22.9 33 33 A S T 3 S+ 0 0 69 1,-0.3 -25,-0.2 -23,-0.2 -1,-0.2 -0.348 127.8 10.7 -54.0 122.5 26.5 -8.5 -22.6 34 34 A G T 3 S+ 0 0 52 -27,-3.2 -1,-0.3 1,-0.3 -26,-0.1 0.198 95.4 132.5 94.5 -15.4 22.9 -7.4 -23.0 35 35 A E < - 0 0 75 -3,-2.6 -28,-2.7 -28,-0.1 2,-0.4 -0.372 40.9-152.7 -76.7 152.7 21.3 -10.9 -22.9 36 36 A S E -A 6 0A 56 -30,-0.2 2,-0.4 -2,-0.1 -30,-0.2 -0.975 7.8-170.3-123.2 139.2 18.3 -11.8 -20.8 37 37 A W E -A 5 0A 25 -32,-2.7 -32,-2.8 -2,-0.4 2,-0.6 -0.996 9.9-153.5-134.8 119.1 17.4 -15.2 -19.3 38 38 A T E -A 4 0A 67 -2,-0.4 2,-0.3 -34,-0.2 -34,-0.2 -0.863 15.3-173.4 -98.2 125.5 14.0 -15.8 -17.7 39 39 A I E -A 3 0A 0 -36,-2.7 -36,-2.3 -2,-0.6 2,-0.5 -0.786 19.6-134.3-111.4 156.5 13.8 -18.5 -15.1 40 40 A N E -A 2 0A 97 -2,-0.3 2,-0.4 -38,-0.2 -15,-0.3 -0.964 17.8-166.5-111.5 125.2 10.8 -20.0 -13.2 41 41 A V - 0 0 4 -40,-2.9 3,-0.1 -2,-0.5 -17,-0.1 -0.949 28.5-111.4-112.6 130.3 11.2 -20.5 -9.5 42 42 A E > - 0 0 151 -2,-0.4 3,-1.6 1,-0.1 50,-0.2 -0.318 37.1-103.9 -60.2 136.6 8.7 -22.7 -7.6 43 43 A P T 3 S+ 0 0 80 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.247 107.9 34.6 -56.0 147.5 6.3 -20.9 -5.3 44 44 A G T 3 S+ 0 0 35 1,-0.3 2,-0.2 -3,-0.1 49,-0.1 0.457 77.5 157.7 82.7 1.8 7.4 -21.5 -1.6 45 45 A T < - 0 0 12 -3,-1.6 47,-3.0 46,-0.1 2,-0.4 -0.418 24.6-161.0 -62.1 123.1 11.1 -21.5 -2.4 46 46 A N + 0 0 98 45,-0.2 45,-0.2 -2,-0.2 -1,-0.0 -0.895 64.4 8.1-109.4 130.9 12.9 -20.6 0.8 47 47 A G S S+ 0 0 26 -2,-0.4 44,-0.2 1,-0.2 -1,-0.2 0.846 81.7 165.7 71.8 39.1 16.5 -19.4 0.8 48 48 A G E - G 0 90B 1 42,-2.6 42,-2.4 -3,-0.3 2,-0.3 -0.498 14.4-167.2 -84.3 155.8 17.0 -19.0 -2.9 49 49 A K E -FG 18 89B 41 -31,-2.6 -31,-2.2 40,-0.2 2,-0.4 -0.999 13.3-166.0-141.7 145.5 19.9 -17.1 -4.3 50 50 A I E +FG 17 88B 0 38,-2.3 38,-2.6 -2,-0.3 2,-0.3 -0.975 22.5 158.4-124.8 140.0 20.9 -15.7 -7.7 51 51 A W E -F 16 0B 0 -35,-1.9 -35,-2.4 -2,-0.4 2,-0.4 -0.966 35.4-112.5-150.7 167.7 24.4 -14.5 -8.5 52 52 A A E -F 15 0B 1 34,-0.4 2,-0.4 -2,-0.3 -37,-0.2 -0.808 21.0-155.0-101.5 147.9 26.8 -13.8 -11.3 53 53 A R E -F 14 0B 0 -39,-1.2 -39,-2.4 -2,-0.4 2,-0.3 -0.951 12.8-153.5-117.3 144.9 29.9 -15.8 -12.0 54 54 A T B +K 68 0C 18 14,-0.9 13,-1.9 -2,-0.4 14,-1.1 -0.850 61.8 12.8-123.0 150.8 32.9 -14.3 -13.9 55 55 A D S S+ 0 0 87 -43,-0.4 12,-0.4 -2,-0.3 2,-0.3 0.923 81.0 171.3 56.8 56.7 35.7 -15.7 -16.1 56 56 A b - 0 0 5 10,-0.2 2,-0.4 -3,-0.2 10,-0.3 -0.655 25.0-165.6 -99.7 151.7 34.3 -19.2 -16.6 57 57 A Y E -L 65 0D 174 8,-2.5 8,-2.1 -2,-0.3 2,-0.4 -0.981 11.8-179.4-134.7 125.9 35.3 -22.0 -18.8 58 58 A F E -L 64 0D 47 -2,-0.4 6,-0.2 6,-0.2 2,-0.1 -0.970 17.7-138.9-127.4 140.2 33.1 -25.0 -19.4 59 59 A D > - 0 0 88 4,-2.7 3,-1.9 -2,-0.4 4,-0.0 -0.244 46.1 -84.0 -78.5 178.2 33.5 -28.1 -21.5 60 60 A D T 3 S+ 0 0 182 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.624 129.8 54.4 -52.7 -28.9 30.9 -29.7 -23.8 61 61 A S T 3 S- 0 0 86 2,-0.2 -1,-0.3 14,-0.0 3,-0.1 0.445 120.0-105.6 -87.4 -7.2 29.5 -31.5 -20.7 62 62 A G S < S+ 0 0 12 -3,-1.9 13,-2.7 1,-0.3 2,-0.4 0.723 78.8 128.1 87.3 21.9 29.0 -28.4 -18.6 63 63 A S B +M 74 0E 52 11,-0.2 -4,-2.7 12,-0.1 -1,-0.3 -0.907 29.3 86.7-111.6 138.5 31.9 -29.0 -16.3 64 64 A G E -L 58 0D 35 9,-3.0 2,-0.3 -2,-0.4 -6,-0.2 -0.823 62.4 -63.1 179.2-131.8 34.6 -26.5 -15.6 65 65 A I E -L 57 0D 103 -8,-2.1 -8,-2.5 -2,-0.3 2,-0.3 -0.984 21.8-163.7-156.1 143.1 35.7 -23.5 -13.5 66 66 A b - 0 0 8 -2,-0.3 4,-0.3 -10,-0.3 -10,-0.2 -0.982 20.9-140.1-123.7 147.7 34.8 -19.9 -12.7 67 67 A K S S+ 0 0 124 -13,-1.9 2,-0.4 -12,-0.4 -12,-0.2 0.799 93.1 25.7 -77.2 -28.9 37.0 -17.3 -11.0 68 68 A T B S+K 54 0C 2 -14,-1.1 -14,-0.9 1,-0.1 -1,-0.2 -0.990 128.7 8.9-127.7 144.3 34.1 -15.9 -8.9 69 69 A G S S+ 0 0 0 13,-2.3 -2,-0.1 -2,-0.4 -1,-0.1 0.557 73.2 174.5 78.2 9.8 31.0 -17.8 -7.8 70 70 A D - 0 0 28 -4,-0.3 12,-2.1 12,-0.2 2,-0.7 -0.259 18.2-158.4 -56.7 133.8 32.0 -21.2 -8.9 71 71 A c S > S- 0 0 3 3,-0.4 3,-1.3 10,-0.2 7,-0.3 -0.736 70.4 -52.3-115.2 76.1 29.4 -23.9 -7.8 72 72 A G T 3 S- 0 0 73 -2,-0.7 3,-0.1 1,-0.3 -8,-0.1 0.766 98.7 -67.2 64.6 27.3 31.4 -27.1 -7.8 73 73 A G T 3 S+ 0 0 11 1,-0.2 -9,-3.0 -10,-0.1 2,-0.4 0.640 99.5 133.1 67.3 22.1 32.6 -26.6 -11.4 74 74 A L B < -M 63 0E 44 -3,-1.3 -3,-0.4 -11,-0.2 -1,-0.2 -0.823 53.9-151.7-105.9 141.5 29.2 -26.9 -12.9 75 75 A L S S+ 0 0 32 -13,-2.7 2,-1.1 -2,-0.4 -1,-0.2 0.919 99.4 52.1 -64.9 -45.7 27.6 -24.7 -15.5 76 76 A R S S- 0 0 152 -14,-0.4 -1,-0.2 -3,-0.1 -48,-0.2 -0.750 96.2-141.5 -99.3 94.8 24.1 -25.6 -14.1 77 77 A c + 0 0 0 -2,-1.1 -53,-0.3 -50,-0.5 -60,-0.2 -0.350 33.2 169.9 -65.0 138.0 24.5 -24.9 -10.4 78 78 A K S S+ 0 0 121 -7,-0.3 2,-0.2 -55,-0.1 -59,-0.2 0.428 72.4 37.5-112.5 -15.9 23.0 -27.3 -7.8 79 79 A R S S- 0 0 148 -58,-0.2 -58,-0.1 -8,-0.2 -62,-0.1 -0.797 97.8 -76.5-135.3 168.4 24.8 -25.7 -4.8 80 80 A F - 0 0 81 -60,-0.4 2,-0.2 -2,-0.2 -8,-0.2 -0.258 54.4-103.9 -70.8 158.9 25.8 -22.1 -3.7 81 81 A G - 0 0 15 -10,-0.1 -10,-0.2 1,-0.1 -11,-0.2 -0.478 28.3 -98.4 -93.7 157.6 28.8 -20.4 -5.2 82 82 A R - 0 0 168 -12,-2.1 -13,-2.3 -2,-0.2 -12,-0.2 -0.525 63.0 -77.4 -73.3 129.4 32.4 -19.8 -4.0 83 83 A P S S+ 0 0 27 0, 0.0 24,-0.1 0, 0.0 -13,-0.1 -0.247 102.0 70.1 -59.6 154.6 32.9 -16.2 -2.6 84 84 A P S S+ 0 0 4 0, 0.0 2,-0.3 0, 0.0 23,-0.3 0.289 72.5 141.2 -85.5 135.7 33.2 -13.4 -3.6 85 85 A T - 0 0 2 21,-2.2 21,-0.4 60,-0.1 2,-0.3 -0.916 47.9-140.2-141.8 119.8 29.6 -13.3 -4.8 86 86 A T - 0 0 0 -2,-0.3 2,-0.5 -34,-0.2 -34,-0.4 -0.580 37.2-145.3 -68.7 133.5 27.1 -10.4 -4.6 87 87 A L E - H 0 103B 9 16,-2.3 16,-2.3 -2,-0.3 2,-0.6 -0.925 24.1-160.2-118.3 128.0 23.9 -12.2 -3.7 88 88 A A E -GH 50 102B 0 -38,-2.6 -38,-2.3 -2,-0.5 2,-0.4 -0.901 31.4-168.5 -89.7 118.6 20.2 -11.6 -4.7 89 89 A E E +GH 49 101B 31 12,-2.9 12,-2.1 -2,-0.6 2,-0.3 -0.913 11.8 166.8-120.5 143.1 18.4 -13.5 -1.9 90 90 A F E -GH 48 100B 4 -42,-2.4 -42,-2.6 -2,-0.4 2,-0.4 -0.997 26.8-165.3-155.9 147.3 14.7 -14.4 -1.6 91 91 A S E - H 0 99B 26 8,-2.1 8,-2.7 -2,-0.3 2,-0.3 -0.996 26.2-154.0-132.7 126.3 12.1 -16.5 0.1 92 92 A L E + 0 0 0 -47,-3.0 6,-0.2 -2,-0.4 103,-0.1 -0.789 63.8 6.4-106.0 144.5 8.8 -16.8 -1.6 93 93 A N E S+ 0 0 47 -2,-0.3 2,-0.9 1,-0.2 -1,-0.2 0.932 71.0 165.0 53.7 52.2 5.3 -17.4 -0.3 94 94 A Q E > S- H 0 97B 51 3,-3.4 3,-1.3 -3,-0.3 -1,-0.2 -0.883 80.4 -31.6-103.8 96.3 6.3 -17.3 3.4 95 95 A Y T 3 S- 0 0 236 -2,-0.9 -1,-0.2 1,-0.3 3,-0.1 0.883 128.5 -44.1 54.8 45.0 2.9 -16.9 5.2 96 96 A G T 3 S+ 0 0 54 1,-0.2 99,-1.4 98,-0.1 2,-0.3 0.392 123.5 84.4 92.3 -3.4 1.5 -15.0 2.3 97 97 A K E < -HI 94 194B 95 -3,-1.3 -3,-3.4 97,-0.2 2,-0.3 -0.878 64.4-132.9-130.5 160.3 4.5 -12.7 1.5 98 98 A D E - I 0 193B 0 95,-2.9 95,-3.1 -2,-0.3 2,-0.4 -0.853 17.6-154.6-109.5 150.5 7.7 -12.7 -0.4 99 99 A Y E +HI 91 192B 85 -8,-2.7 -8,-2.1 -2,-0.3 2,-0.3 -0.992 15.1 177.2-131.2 125.6 11.0 -11.4 1.1 100 100 A I E +HI 90 191B 0 91,-2.3 91,-2.9 -2,-0.4 2,-0.3 -0.923 7.0 151.6-128.7 150.1 13.9 -10.1 -0.9 101 101 A D E -H 89 0B 19 -12,-2.1 -12,-2.9 -2,-0.3 2,-0.4 -0.977 35.9-122.2-159.6 169.4 17.4 -8.6 -0.2 102 102 A I E -H 88 0B 0 77,-0.5 79,-2.3 -2,-0.3 2,-0.4 -0.960 30.7-161.1-113.5 139.2 20.9 -8.1 -1.5 103 103 A S E -Hj 87 181B 1 -16,-2.3 -16,-2.3 -2,-0.4 79,-0.2 -0.985 29.8-178.2-126.3 140.1 23.8 -9.4 0.6 104 104 A N > + 0 0 1 77,-3.2 3,-1.9 -2,-0.4 78,-0.1 0.098 60.4 109.1-107.2 17.0 27.5 -8.7 0.7 105 105 A I T 3 S+ 0 0 43 1,-0.3 44,-0.3 76,-0.2 -1,-0.1 0.791 86.5 40.9 -65.6 -26.8 28.0 -11.2 3.5 106 106 A K T 3 S- 0 0 93 1,-0.4 -21,-2.2 -21,-0.4 -1,-0.3 -0.053 125.7-104.2-106.5 26.7 29.8 -13.5 1.0 107 107 A G < - 0 0 0 -3,-1.9 -1,-0.4 -23,-0.3 2,-0.4 -0.271 37.8 -78.8 82.7-167.4 31.6 -10.6 -0.6 108 108 A F B +N 145 0F 2 37,-2.5 37,-3.0 -22,-0.1 -23,-0.1 -1.000 43.8 152.1-140.5 134.2 31.1 -8.7 -3.9 109 109 A N S S+ 0 0 13 1,-0.4 35,-0.2 -2,-0.4 -1,-0.1 0.647 72.7 19.7-124.7 -43.4 32.0 -9.6 -7.5 110 110 A V S S- 0 0 2 -58,-0.1 -1,-0.4 20,-0.0 -58,-0.1 -0.985 80.0-109.8-136.1 137.1 29.4 -7.8 -9.8 111 111 A P - 0 0 23 0, 0.0 93,-2.5 0, 0.0 2,-0.3 -0.336 42.7-167.0 -68.9 152.1 27.1 -4.9 -9.1 112 112 A M E -CD 126 203A 1 14,-2.4 14,-2.9 91,-0.2 2,-0.4 -0.999 27.5-162.3-146.4 141.9 23.4 -5.8 -8.9 113 113 A N E -CD 125 202A 18 89,-2.1 89,-2.6 -2,-0.3 2,-0.5 -0.985 12.3-170.9-117.4 136.9 19.8 -4.5 -8.9 114 114 A F E +CD 124 201A 0 10,-3.1 10,-2.5 -2,-0.4 87,-0.2 -0.944 21.5 158.9-128.5 106.7 17.1 -6.8 -7.6 115 115 A S E - D 0 200A 29 85,-2.5 85,-2.6 -2,-0.5 8,-0.2 -0.945 41.5-109.9-131.9 147.9 13.6 -5.4 -8.2 116 116 A P E - D 0 199A 22 0, 0.0 83,-0.3 0, 0.0 7,-0.1 -0.492 13.1-158.7 -67.5 149.1 10.0 -6.6 -8.5 117 117 A T S S+ 0 0 67 81,-2.4 2,-0.2 -2,-0.1 82,-0.2 0.323 78.6 62.2-102.0 -0.8 8.4 -6.5 -12.0 118 118 A T S S- 0 0 55 80,-0.8 3,-0.4 1,-0.1 79,-0.1 -0.711 95.8 -79.1-121.9 168.5 4.9 -6.5 -10.3 119 119 A R S S+ 0 0 230 -2,-0.2 -1,-0.1 1,-0.2 -2,-0.1 -0.158 87.3 49.7 -70.5 157.3 3.2 -4.1 -8.0 120 120 A G S S+ 0 0 65 1,-0.1 2,-0.3 73,-0.1 -1,-0.2 0.403 91.8 42.0 111.0 0.2 3.5 -3.4 -4.3 121 121 A d S S- 0 0 36 -3,-0.4 2,-0.2 72,-0.1 -1,-0.1 -0.987 70.4-103.2-161.8 173.5 7.1 -3.0 -3.1 122 122 A R - 0 0 118 -2,-0.3 2,-0.2 70,-0.2 69,-0.1 -0.470 29.0-117.9 -96.9 162.9 10.4 -1.5 -3.9 123 123 A G - 0 0 21 -2,-0.2 2,-0.3 -8,-0.2 -8,-0.2 -0.466 19.4-135.3 -90.0 173.3 13.7 -2.9 -5.3 124 124 A V E -C 114 0A 2 -10,-2.5 -10,-3.1 -2,-0.2 2,-0.3 -0.936 18.8-167.0-130.0 153.0 17.1 -3.0 -3.8 125 125 A R E -C 113 0A 108 -2,-0.3 54,-0.4 -12,-0.2 2,-0.3 -1.000 24.5-178.3-146.7 140.1 20.4 -2.2 -5.3 126 126 A e E +C 112 0A 0 -14,-2.9 -14,-2.4 -2,-0.3 51,-0.1 -0.840 34.1 140.7-133.8 91.5 24.2 -2.6 -4.7 127 127 A A + 0 0 26 -2,-0.3 79,-0.1 -16,-0.3 50,-0.1 0.327 26.2 118.4-120.8 5.0 25.8 -0.8 -7.7 128 128 A A S S- 0 0 32 48,-0.2 2,-2.1 1,-0.1 3,-0.3 -0.225 79.8 -96.6 -70.3 161.0 28.8 1.0 -6.2 129 129 A D > + 0 0 103 1,-0.2 4,-2.1 2,-0.1 5,-0.2 -0.432 60.2 155.3 -81.4 68.2 32.4 0.2 -7.4 130 130 A I H > S+ 0 0 0 -2,-2.1 4,-0.9 1,-0.2 -1,-0.2 0.858 70.4 52.5 -66.9 -37.8 33.1 -2.1 -4.5 131 131 A V H >4 S+ 0 0 55 -3,-0.3 3,-0.6 2,-0.2 -1,-0.2 0.940 111.2 46.6 -65.5 -44.0 35.8 -4.1 -6.4 132 132 A G H 34 S+ 0 0 45 1,-0.2 -2,-0.2 13,-0.0 -1,-0.2 0.886 120.6 37.9 -64.2 -33.7 37.7 -0.8 -7.3 133 133 A Q H 3< S+ 0 0 120 -4,-2.1 -1,-0.2 2,-0.0 -2,-0.2 0.448 86.3 139.3 -98.7 0.8 37.5 0.6 -3.8 134 134 A f << - 0 0 5 -4,-0.9 5,-0.1 -3,-0.6 -3,-0.1 -0.096 61.9-104.5 -48.6 130.1 38.1 -2.8 -2.0 135 135 A P >> - 0 0 36 0, 0.0 3,-1.8 0, 0.0 4,-0.9 -0.308 32.7-115.5 -50.9 142.1 40.4 -2.7 1.1 136 136 A A G >4 S+ 0 0 80 1,-0.3 3,-0.8 2,-0.2 -2,-0.1 0.861 113.8 52.7 -50.5 -43.8 43.7 -4.2 0.2 137 137 A K G 34 S+ 0 0 147 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.680 110.2 49.4 -71.5 -16.5 43.4 -7.1 2.7 138 138 A L G <4 S+ 0 0 0 -3,-1.8 8,-2.8 2,-0.1 -1,-0.2 0.524 78.9 117.3 -95.9 -11.3 40.0 -8.1 1.2 139 139 A K B << -O 145 0F 114 -4,-0.9 6,-0.2 -3,-0.8 5,-0.1 -0.379 60.9-138.4 -66.1 133.7 40.9 -8.1 -2.5 140 140 A A > - 0 0 16 4,-2.6 3,-2.2 1,-0.2 -1,-0.1 -0.812 1.6-147.9 -93.5 125.8 40.5 -11.6 -4.0 141 141 A P T 3 S+ 0 0 144 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.775 100.8 56.3 -66.2 -24.0 43.4 -12.4 -6.3 142 142 A G T 3 S- 0 0 38 1,-0.3 2,-0.1 -75,-0.1 -3,-0.0 0.526 131.5 -75.8 -78.4 -3.9 41.1 -14.4 -8.4 143 143 A G S < S+ 0 0 27 -3,-2.2 -1,-0.3 1,-0.3 2,-0.1 -0.170 89.4 46.1 120.1 145.1 38.8 -11.3 -8.8 144 144 A G S S- 0 0 12 -35,-0.2 -4,-2.6 -3,-0.1 2,-0.5 -0.214 83.1 -69.1 91.5-175.4 36.3 -9.4 -6.6 145 145 A f B -NO 108 139F 0 -37,-3.0 -37,-2.5 -6,-0.2 -6,-0.2 -0.961 46.8-143.8-124.3 111.6 36.2 -8.2 -3.0 146 146 A N - 0 0 23 -8,-2.8 -39,-0.2 -2,-0.5 2,-0.2 -0.387 15.8-116.4 -73.3 149.2 36.0 -10.9 -0.3 147 147 A D > - 0 0 8 1,-0.1 4,-1.6 -2,-0.1 5,-0.1 -0.475 30.2-111.6 -71.9 159.8 34.1 -10.6 2.9 148 148 A A H > S+ 0 0 8 1,-0.2 4,-2.7 2,-0.2 5,-0.5 0.781 114.6 59.9 -67.4 -30.9 36.1 -10.7 6.1 149 149 A g H > S+ 0 0 20 8,-0.4 4,-2.3 -44,-0.3 -1,-0.2 0.956 105.1 48.6 -60.9 -47.5 34.8 -14.0 7.2 150 150 A T H 4 S+ 0 0 48 1,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.903 118.6 40.7 -54.4 -42.7 36.2 -15.7 4.1 151 151 A V H < S+ 0 0 51 -4,-1.6 -1,-0.2 1,-0.1 -2,-0.2 0.931 130.3 20.5 -76.5 -43.4 39.6 -14.0 4.6 152 152 A F H < S- 0 0 79 -4,-2.7 -3,-0.2 -5,-0.1 -2,-0.2 0.632 79.4-146.4-111.7 -20.3 40.1 -14.3 8.4 153 153 A Q < + 0 0 143 -4,-2.3 2,-0.3 -5,-0.5 -4,-0.1 0.884 42.2 151.6 56.7 48.8 37.8 -17.1 9.7 154 154 A T > - 0 0 56 -6,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.792 58.4-121.7-108.6 158.5 37.1 -15.6 13.1 155 155 A S H >>S+ 0 0 72 -2,-0.3 4,-1.4 1,-0.2 5,-1.0 0.860 113.6 54.9 -60.6 -36.8 34.0 -15.9 15.3 156 156 A E H 45S+ 0 0 93 1,-0.2 -1,-0.2 2,-0.2 9,-0.1 0.931 114.0 37.3 -68.2 -42.7 33.6 -12.1 15.1 157 157 A Y H 45S+ 0 0 69 1,-0.2 -8,-0.4 -9,-0.1 27,-0.3 0.828 122.8 42.6 -76.1 -34.7 33.5 -11.9 11.3 158 158 A g H <5S- 0 0 34 -4,-2.5 -2,-0.2 -9,-0.1 -1,-0.2 0.579 98.8-134.4 -91.1 -8.6 31.6 -15.1 10.7 159 159 A h T ><5 + 0 0 12 -4,-1.4 3,-1.6 -5,-0.2 -3,-0.2 0.821 42.5 165.2 59.5 38.0 29.1 -14.4 13.6 160 160 A T T 3 - 0 0 21 1,-0.1 4,-2.8 -10,-0.1 5,-0.2 -0.824 35.5 -95.6-137.6 172.8 33.6 -4.2 12.0 168 168 A E H > S+ 0 0 168 -2,-0.3 4,-1.1 1,-0.2 -1,-0.1 0.932 127.0 46.7 -59.9 -39.7 35.9 -2.0 10.0 169 169 A Y H >> S+ 0 0 37 2,-0.2 4,-1.5 1,-0.2 3,-0.6 0.939 111.6 47.9 -70.6 -43.8 35.5 -4.4 7.0 170 170 A S H 3> S+ 0 0 6 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.917 107.8 57.6 -63.0 -36.4 31.7 -4.7 7.3 171 171 A R H 3X S+ 0 0 139 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.779 100.9 57.4 -65.5 -28.4 31.5 -0.9 7.5 172 172 A F H < + 0 0 4 -4,-2.3 3,-1.5 -5,-0.2 -1,-0.2 -0.708 62.9 172.6-133.8 83.1 26.1 -0.2 -0.4 178 178 A P T 3 S+ 0 0 77 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.740 79.0 59.3 -63.3 -23.1 23.8 0.9 2.5 179 179 A D T 3 S+ 0 0 73 -54,-0.4 -77,-0.5 2,-0.1 2,-0.3 0.258 95.1 75.2 -98.0 17.8 20.9 -1.2 1.1 180 180 A A S < S- 0 0 0 -3,-1.5 -77,-0.3 -7,-0.1 2,-0.2 -0.936 91.6 -98.8-119.8 150.1 22.8 -4.6 1.3 181 181 A F B -j 103 0B 24 -79,-2.3 -77,-3.2 -2,-0.3 -76,-0.2 -0.442 34.3-176.4 -63.7 134.6 23.6 -6.8 4.3 182 182 A S + 0 0 10 1,-0.3 2,-0.3 -2,-0.2 -9,-0.2 0.580 67.2 5.3-107.5 -20.6 27.2 -6.2 5.3 183 183 A Y S > S- 0 0 41 -10,-0.1 3,-1.7 -36,-0.1 -1,-0.3 -0.944 87.0 -91.8-157.3 168.7 27.5 -8.7 8.1 184 184 A V T 3 S+ 0 0 70 -27,-0.3 -26,-0.0 -2,-0.3 -27,-0.0 0.863 122.7 38.5 -59.8 -41.1 25.2 -11.4 9.6 185 185 A L T 3 S+ 0 0 83 -20,-0.1 -1,-0.3 -3,-0.0 -26,-0.0 0.155 83.6 141.5-103.0 22.9 23.6 -9.2 12.2 186 186 A D S < S- 0 0 17 -3,-1.7 3,-0.1 1,-0.1 -5,-0.1 -0.217 70.6 -88.4 -56.8 149.9 23.3 -6.1 10.2 187 187 A K - 0 0 177 1,-0.1 -1,-0.1 2,-0.1 -2,-0.0 -0.430 65.8 -98.0 -56.9 125.1 20.1 -4.1 10.6 188 188 A P - 0 0 96 0, 0.0 -1,-0.1 0, 0.0 -8,-0.0 -0.183 37.8-176.4 -61.9 140.7 17.9 -5.8 8.0 189 189 A T + 0 0 19 -87,-0.1 2,-0.2 -3,-0.1 -87,-0.2 -0.024 38.8 139.0-114.8 22.4 17.4 -4.3 4.5 190 190 A T - 0 0 55 -89,-0.1 2,-0.4 -10,-0.1 -89,-0.2 -0.500 43.0-145.0 -70.1 135.9 14.9 -7.0 3.5 191 191 A V E -I 100 0B 12 -91,-2.9 -91,-2.3 -2,-0.2 2,-0.6 -0.881 6.1-138.6-106.6 131.0 11.9 -5.8 1.5 192 192 A T E +I 99 0B 73 -2,-0.4 -93,-0.2 -93,-0.2 -70,-0.2 -0.864 27.3 179.5 -88.6 126.1 8.5 -7.4 2.0 193 193 A d E -I 98 0B 1 -95,-3.1 -95,-2.9 -2,-0.6 -73,-0.1 -0.823 38.8 -81.5-119.5 161.3 6.7 -7.9 -1.3 194 194 A P E > -I 97 0B 43 0, 0.0 3,-1.2 0, 0.0 -97,-0.2 -0.282 59.7 -94.2 -55.4 141.8 3.3 -9.4 -2.1 195 195 A G T 3 S+ 0 0 24 -99,-1.4 -98,-0.1 1,-0.3 -97,-0.1 -0.305 111.6 23.3 -54.6 141.8 3.3 -13.2 -2.2 196 196 A S T 3 S+ 0 0 76 1,-0.2 -1,-0.3 -3,-0.1 2,-0.1 0.776 85.6 157.3 69.0 29.7 3.9 -14.5 -5.7 197 197 A S < - 0 0 3 -3,-1.2 2,-0.3 -196,-0.1 -1,-0.2 -0.297 35.1-131.8 -69.0 163.7 5.5 -11.4 -7.0 198 198 A N - 0 0 45 -197,-0.1 -81,-2.4 -2,-0.1 -80,-0.8 -0.846 25.9-161.4-118.8 161.0 7.8 -11.6 -10.1 199 199 A Y E -bD 3 116A 1 -197,-2.5 -195,-2.4 -83,-0.3 2,-0.4 -0.875 20.4-143.7-142.3 162.7 11.3 -10.1 -10.3 200 200 A R E -bD 4 115A 93 -85,-2.6 -85,-2.5 -2,-0.3 2,-0.6 -0.998 9.7-161.1-131.0 129.9 14.2 -8.9 -12.4 201 201 A V E -bD 5 114A 0 -197,-2.6 -195,-2.9 -2,-0.4 2,-0.5 -0.973 14.1-169.1-106.2 117.8 17.9 -9.2 -11.4 202 202 A T E -bD 6 113A 8 -89,-2.6 -89,-2.1 -2,-0.6 2,-0.3 -0.959 10.7-149.7-113.9 118.5 20.0 -6.8 -13.4 203 203 A F E S+bD 7 112A 0 -197,-2.9 -195,-2.1 -2,-0.5 -91,-0.2 -0.678 84.4 8.7 -82.1 137.9 23.8 -7.1 -13.4 204 204 A a S S+ 0 0 22 -93,-2.5 -1,-0.2 -2,-0.3 -92,-0.1 0.954 75.7 178.3 58.5 53.3 25.6 -3.8 -13.8 205 205 A P 0 0 8 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.764 360.0 360.0 -60.4 -29.7 22.5 -1.7 -13.6 206 206 A T 0 0 131 -79,-0.1 -2,-0.1 -78,-0.0 -3,-0.0 0.477 360.0 360.0-112.4 360.0 24.3 1.6 -13.9