==== 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 PLANT PROTEIN 26-NOV-07 2VI3 . COMPND 2 MOLECULE: THAUMATIN-1; . SOURCE 2 ORGANISM_SCIENTIFIC: THAUMATOCOCCUS DANIELLII; . AUTHOR J.JAKONCIC,N.ASHERIE,C.GINSBERG . 206 1 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9742.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 120 58.3 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 . 1 0.5 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 . 15 7.3 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 28 0, 0.0 40,-3.0 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 143.0 7.4 -17.0 -10.0 2 2 A T E -A 40 0A 50 38,-0.2 197,-2.5 36,-0.0 2,-0.4 -0.804 360.0-170.9 -98.4 143.5 9.4 -15.6 -12.9 3 3 A F E -Ab 39 199A 0 36,-2.4 36,-2.6 -2,-0.4 2,-0.6 -0.972 9.9-156.2-127.1 111.1 12.8 -14.0 -12.5 4 4 A E E -Ab 38 200A 53 195,-2.5 197,-2.5 -2,-0.4 2,-0.6 -0.824 11.1-158.1 -86.0 125.3 14.2 -12.2 -15.5 5 5 A I E -Ab 37 201A 0 32,-3.0 32,-2.7 -2,-0.6 2,-0.5 -0.935 11.6-171.6-109.1 119.1 17.9 -12.1 -15.2 6 6 A V E -Ab 36 202A 14 195,-3.0 197,-2.9 -2,-0.6 2,-0.9 -0.958 17.0-151.4-121.2 126.1 19.5 -9.3 -17.2 7 7 A N E + b 0 203A 0 28,-2.8 27,-3.3 -2,-0.5 28,-0.1 -0.847 24.4 163.4 -98.2 100.7 23.2 -8.8 -17.8 8 8 A R + 0 0 138 195,-2.2 196,-0.2 -2,-0.9 -1,-0.1 0.400 43.4 113.4 -91.5 -0.2 23.8 -5.0 -18.4 9 9 A a S S- 0 0 2 194,-0.2 25,-0.2 2,-0.2 4,-0.1 -0.339 76.1-126.4 -66.3 156.9 27.5 -5.5 -17.8 10 10 A S S S+ 0 0 110 23,-0.1 2,-0.3 2,-0.1 23,-0.2 0.543 93.6 62.5 -77.7 -8.3 30.0 -5.0 -20.6 11 11 A Y S S- 0 0 92 21,-0.1 -2,-0.2 1,-0.0 2,-0.1 -0.824 95.0 -97.3-115.2 154.8 31.4 -8.5 -19.8 12 12 A T - 0 0 44 -2,-0.3 43,-0.4 21,-0.1 2,-0.3 -0.405 39.0-170.9 -63.9 142.1 29.8 -11.9 -20.0 13 13 A V E -E 31 0B 0 18,-2.3 18,-3.2 41,-0.1 2,-0.6 -0.924 21.9-135.3-127.4 160.6 28.5 -13.4 -16.8 14 14 A W E -EF 30 53B 32 39,-2.4 39,-1.0 -2,-0.3 16,-0.3 -0.945 27.5-143.9-113.5 103.1 27.2 -16.9 -16.0 15 15 A A E -EF 29 52B 0 14,-1.9 14,-1.7 -2,-0.6 2,-0.3 -0.379 16.4-164.8 -64.8 152.4 24.0 -16.5 -14.0 16 16 A A E -EF 28 51B 0 35,-2.3 35,-1.9 12,-0.2 2,-0.3 -0.984 10.9-175.0-140.5 147.3 23.4 -19.0 -11.3 17 17 A A E + F 0 50B 0 10,-2.2 7,-2.3 -2,-0.3 2,-0.3 -0.953 20.5 142.5-149.0 123.1 20.2 -19.8 -9.3 18 18 A S E -EF 23 49B 0 31,-2.2 31,-2.5 -2,-0.3 5,-0.2 -0.983 46.7-144.6-153.3 158.4 20.0 -22.3 -6.4 19 19 A K - 0 0 78 3,-2.4 4,-0.1 -2,-0.3 2,-0.1 0.146 63.4-101.4-111.6 17.5 18.4 -22.9 -3.0 20 20 A G S S+ 0 0 16 2,-0.5 60,-0.4 29,-0.1 3,-0.1 -0.149 117.2 45.2 101.2 -37.3 21.6 -24.6 -1.7 21 21 A D S S+ 0 0 100 1,-0.2 2,-0.3 58,-0.1 58,-0.2 0.244 121.9 21.4-117.8 7.4 20.5 -28.3 -2.1 22 22 A A S S- 0 0 33 56,-0.1 -3,-2.4 5,-0.0 -2,-0.5 -0.963 80.8 -98.9-167.1 152.5 19.0 -28.0 -5.6 23 23 A A E -E 18 0B 39 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.3 -0.422 28.2-133.2 -64.4 151.2 19.0 -25.9 -8.7 24 24 A L E > S- 0 0 10 -7,-2.3 3,-2.0 53,-0.3 -7,-0.1 -0.962 77.5 -33.3-101.4 127.5 16.3 -23.3 -9.4 25 25 A D E 3 S- 0 0 73 -2,-0.5 -2,-0.1 1,-0.3 14,-0.1 -0.351 134.9 -18.9 56.3-138.6 15.2 -23.9 -13.0 26 26 A A E 3 S- 0 0 34 1,-0.1 -1,-0.3 -3,-0.1 -3,-0.1 0.662 89.1-129.5 -72.9 -13.5 18.2 -25.0 -15.0 27 27 A G E < S+ 0 0 0 -3,-2.0 -10,-2.2 49,-0.2 50,-0.6 0.066 72.8 11.7 89.8 -25.9 20.5 -23.6 -12.3 28 28 A G E +E 16 0B 1 -12,-0.3 2,-0.3 48,-0.2 -12,-0.2 -0.950 54.9 174.7-175.2 160.0 22.8 -21.6 -14.5 29 29 A R E -E 15 0B 79 -14,-1.7 -14,-1.9 -2,-0.3 2,-0.3 -0.947 37.3 -97.9-167.0 149.3 23.3 -20.1 -18.0 30 30 A Q E -E 14 0B 83 -2,-0.3 2,-0.4 -16,-0.3 -16,-0.2 -0.558 31.6-167.9 -70.2 136.8 25.7 -17.9 -19.9 31 31 A L E -E 13 0B 0 -18,-3.2 -18,-2.3 -2,-0.3 3,-0.1 -0.929 6.4-157.8-125.9 102.6 24.5 -14.2 -20.3 32 32 A N > - 0 0 64 -2,-0.4 3,-2.6 -20,-0.2 -25,-0.3 -0.288 51.3 -61.8 -66.6 166.0 26.5 -12.2 -22.8 33 33 A S T 3 S+ 0 0 68 1,-0.3 -25,-0.2 -23,-0.2 -1,-0.2 -0.321 128.5 11.5 -53.8 120.8 26.4 -8.4 -22.4 34 34 A G T 3 S+ 0 0 52 -27,-3.3 -1,-0.3 1,-0.3 -26,-0.1 0.193 95.8 133.4 95.3 -13.2 22.8 -7.3 -22.9 35 35 A E < - 0 0 75 -3,-2.6 -28,-2.8 -28,-0.1 2,-0.4 -0.375 40.1-153.9 -74.8 152.8 21.3 -10.8 -22.7 36 36 A S E -A 6 0A 54 -30,-0.2 2,-0.4 -2,-0.1 -30,-0.2 -0.981 8.1-172.4-125.6 137.7 18.2 -11.7 -20.7 37 37 A W E -A 5 0A 25 -32,-2.7 -32,-3.0 -2,-0.4 2,-0.5 -0.997 10.8-153.1-132.3 121.4 17.3 -15.1 -19.3 38 38 A T E -A 4 0A 65 -2,-0.4 2,-0.3 -34,-0.2 -34,-0.2 -0.870 14.9-173.0-102.4 125.4 14.0 -15.7 -17.6 39 39 A I E -A 3 0A 0 -36,-2.6 -36,-2.4 -2,-0.5 2,-0.5 -0.778 19.5-132.7-110.8 159.3 13.7 -18.5 -15.1 40 40 A N E -A 2 0A 97 -2,-0.3 2,-0.4 -38,-0.2 -15,-0.2 -0.958 18.2-166.4-111.8 126.7 10.8 -20.0 -13.2 41 41 A V - 0 0 4 -40,-3.0 3,-0.1 -2,-0.5 -17,-0.1 -0.950 27.4-112.9-114.6 130.6 11.1 -20.5 -9.5 42 42 A E > - 0 0 155 -2,-0.4 3,-1.6 1,-0.1 50,-0.2 -0.328 36.5-102.8 -63.9 138.6 8.6 -22.7 -7.7 43 43 A P T 3 S+ 0 0 80 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.248 107.6 33.6 -53.6 147.0 6.3 -21.0 -5.2 44 44 A G T 3 S+ 0 0 35 1,-0.3 2,-0.2 -3,-0.1 49,-0.1 0.427 77.1 158.2 84.3 -0.4 7.3 -21.6 -1.6 45 45 A T < - 0 0 12 -3,-1.6 47,-3.1 46,-0.1 2,-0.4 -0.417 24.4-160.7 -60.2 124.0 11.0 -21.6 -2.4 46 46 A N + 0 0 100 45,-0.2 45,-0.2 -2,-0.2 -1,-0.0 -0.901 65.4 7.5-111.3 131.0 12.8 -20.7 0.8 47 47 A G S S+ 0 0 27 -2,-0.4 44,-0.2 1,-0.2 -1,-0.2 0.856 82.1 166.0 71.4 35.5 16.4 -19.5 0.9 48 48 A G E - G 0 90B 1 42,-2.4 42,-2.4 -3,-0.3 2,-0.3 -0.512 14.1-167.3 -78.6 153.6 16.8 -19.1 -2.9 49 49 A K E -FG 18 89B 39 -31,-2.5 -31,-2.2 40,-0.2 2,-0.4 -0.998 13.3-165.4-141.8 145.3 19.8 -17.1 -4.3 50 50 A I E +FG 17 88B 0 38,-2.3 38,-2.7 -2,-0.3 2,-0.3 -0.982 22.8 158.9-123.3 139.5 20.7 -15.7 -7.7 51 51 A W E -F 16 0B 0 -35,-1.9 -35,-2.3 -2,-0.4 2,-0.3 -0.959 35.4-112.2-150.7 166.1 24.2 -14.5 -8.4 52 52 A A E -F 15 0B 1 34,-0.4 2,-0.4 -2,-0.3 -37,-0.2 -0.803 21.3-155.5 -98.8 149.3 26.6 -13.8 -11.3 53 53 A R E -F 14 0B 0 -39,-1.0 -39,-2.4 -2,-0.3 2,-0.3 -0.955 12.4-155.8-120.0 143.0 29.8 -15.8 -12.0 54 54 A T B +K 68 0C 18 14,-0.9 13,-1.8 -2,-0.4 14,-1.1 -0.857 61.1 15.8-121.1 153.6 32.7 -14.3 -13.8 55 55 A D S S+ 0 0 87 -43,-0.4 12,-0.4 -2,-0.3 2,-0.3 0.927 80.6 171.6 57.5 53.5 35.6 -15.7 -15.9 56 56 A b - 0 0 5 10,-0.2 2,-0.4 -3,-0.2 10,-0.3 -0.681 25.4-168.9 -99.0 151.7 34.1 -19.1 -16.5 57 57 A Y E +L 65 0D 175 8,-2.5 8,-2.1 -2,-0.3 2,-0.4 -0.990 11.9 178.5-134.7 124.2 35.2 -22.0 -18.8 58 58 A F E -L 64 0D 47 -2,-0.4 6,-0.2 6,-0.2 16,-0.1 -0.983 19.2-138.0-128.4 141.9 32.9 -25.0 -19.4 59 59 A D > - 0 0 88 4,-2.8 3,-1.7 -2,-0.4 5,-0.0 -0.155 45.8 -84.0 -81.1-177.5 33.4 -28.0 -21.5 60 60 A D T 3 S+ 0 0 178 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.661 129.7 55.5 -66.5 -16.0 30.7 -29.6 -23.7 61 61 A S T 3 S- 0 0 92 2,-0.2 -1,-0.3 14,-0.0 3,-0.1 0.485 120.0-107.0 -92.2 -5.3 29.3 -31.5 -20.7 62 62 A G S < S+ 0 0 12 -3,-1.7 13,-2.6 1,-0.3 2,-0.4 0.729 78.5 128.0 85.3 24.8 28.8 -28.3 -18.6 63 63 A S B +M 74 0E 53 11,-0.2 -4,-2.8 12,-0.1 -1,-0.3 -0.906 29.3 90.8-114.0 140.9 31.7 -29.0 -16.3 64 64 A G E -L 58 0D 34 9,-3.0 2,-0.3 -2,-0.4 -6,-0.2 -0.813 61.5 -71.1 178.0-136.8 34.4 -26.4 -15.7 65 65 A I E -L 57 0D 101 -8,-2.1 -8,-2.5 -2,-0.2 2,-0.3 -0.986 21.2-164.8-154.7 148.1 35.5 -23.5 -13.5 66 66 A b - 0 0 8 -2,-0.3 4,-0.3 -10,-0.3 -10,-0.2 -0.981 23.3-135.5-131.3 154.3 34.7 -19.8 -12.7 67 67 A K S S+ 0 0 119 -13,-1.8 2,-0.4 -12,-0.4 -12,-0.2 0.780 93.2 28.1 -78.9 -29.4 36.8 -17.3 -10.9 68 68 A T B S+K 54 0C 2 -14,-1.1 -14,-0.9 1,-0.1 -1,-0.2 -0.995 128.2 7.1-128.0 143.0 33.9 -16.0 -8.8 69 69 A G S S+ 0 0 0 13,-2.4 -2,-0.1 -2,-0.4 16,-0.1 0.530 74.1 172.9 73.2 13.9 30.8 -17.8 -7.7 70 70 A D - 0 0 29 -4,-0.3 12,-2.2 12,-0.2 2,-0.7 -0.273 20.1-155.6 -56.2 133.5 31.9 -21.3 -9.0 71 71 A c > - 0 0 3 3,-0.5 3,-1.6 10,-0.2 7,-0.3 -0.754 68.6 -52.8-114.4 79.0 29.3 -23.9 -7.8 72 72 A G T 3 S- 0 0 75 -2,-0.7 -8,-0.1 1,-0.3 -1,-0.1 0.790 100.3 -65.5 61.7 27.7 31.3 -27.1 -7.8 73 73 A G T 3 S+ 0 0 10 1,-0.2 -9,-3.0 -10,-0.1 2,-0.4 0.623 100.0 133.5 74.0 14.5 32.4 -26.6 -11.3 74 74 A L B < -M 63 0E 51 -3,-1.6 -3,-0.5 -11,-0.2 -1,-0.2 -0.777 52.7-153.1-101.8 141.5 29.0 -26.9 -12.9 75 75 A L S S+ 0 0 32 -13,-2.6 2,-1.1 -2,-0.4 -1,-0.2 0.925 99.6 53.4 -63.2 -46.7 27.4 -24.6 -15.5 76 76 A R S S- 0 0 151 -14,-0.4 -1,-0.2 -3,-0.1 -48,-0.2 -0.762 96.0-142.4 -96.2 94.1 24.1 -25.6 -14.1 77 77 A c + 0 0 0 -2,-1.1 -53,-0.3 -50,-0.6 -60,-0.2 -0.344 33.8 167.8 -65.2 134.6 24.4 -24.9 -10.4 78 78 A K S S+ 0 0 122 -7,-0.3 2,-0.3 -55,-0.1 -59,-0.2 0.387 71.8 39.3-111.3 -11.7 22.8 -27.2 -7.8 79 79 A R S S- 0 0 144 -58,-0.2 -58,-0.1 -8,-0.1 -62,-0.1 -0.846 97.1 -78.3-130.5 169.8 24.7 -25.6 -4.8 80 80 A F - 0 0 81 -60,-0.4 2,-0.2 -2,-0.3 -8,-0.2 -0.229 53.7-102.8 -70.8 161.1 25.7 -22.1 -3.7 81 81 A G - 0 0 16 -10,-0.1 -10,-0.2 1,-0.1 -11,-0.2 -0.469 28.1 -99.2 -94.3 157.0 28.7 -20.4 -5.2 82 82 A R - 0 0 165 -12,-2.2 -13,-2.4 -2,-0.2 -12,-0.2 -0.524 62.5 -75.9 -71.7 127.2 32.2 -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 -0.224 102.2 68.1 -57.9 154.6 32.8 -16.3 -2.6 84 84 A P S S+ 0 0 3 0, 0.0 2,-0.3 0, 0.0 23,-0.3 0.343 72.4 141.7 -84.8 136.7 33.1 -13.5 -3.5 85 85 A T - 0 0 2 21,-2.1 21,-0.4 60,-0.1 2,-0.3 -0.924 47.6-139.6-143.6 117.7 29.5 -13.3 -4.7 86 86 A T - 0 0 0 -2,-0.3 2,-0.5 -34,-0.1 -34,-0.4 -0.577 37.5-144.6 -67.1 134.1 27.0 -10.4 -4.6 87 87 A L E - H 0 103B 8 16,-2.3 16,-2.3 -2,-0.3 2,-0.6 -0.915 24.4-161.1-119.2 127.0 23.8 -12.2 -3.6 88 88 A A E -GH 50 102B 0 -38,-2.7 -38,-2.3 -2,-0.5 2,-0.4 -0.906 31.0-169.1 -90.8 118.6 20.1 -11.7 -4.6 89 89 A E E +GH 49 101B 31 12,-2.8 12,-2.1 -2,-0.6 2,-0.3 -0.905 11.7 166.1-120.7 141.5 18.3 -13.6 -1.8 90 90 A F E -GH 48 100B 4 -42,-2.4 -42,-2.4 -2,-0.4 2,-0.4 -0.999 26.4-164.5-155.7 148.5 14.6 -14.5 -1.6 91 91 A S E - H 0 99B 25 8,-2.1 8,-2.6 -2,-0.3 2,-0.3 -0.994 26.3-154.4-132.7 126.7 12.0 -16.6 0.2 92 92 A L E + 0 0 0 -47,-3.1 6,-0.2 -2,-0.4 3,-0.1 -0.781 63.6 6.8-109.4 144.6 8.7 -16.9 -1.6 93 93 A N E S+ 0 0 48 -2,-0.3 2,-0.8 1,-0.2 -1,-0.2 0.938 71.7 164.1 53.1 54.4 5.2 -17.5 -0.2 94 94 A Q E > S- H 0 97B 50 3,-3.4 3,-1.5 -3,-0.3 -1,-0.2 -0.907 81.1 -29.1-103.5 100.3 6.2 -17.4 3.4 95 95 A Y T 3 S- 0 0 239 -2,-0.8 -1,-0.2 1,-0.3 3,-0.1 0.890 129.0 -46.2 51.5 43.6 2.9 -17.1 5.3 96 96 A G T 3 S+ 0 0 52 1,-0.2 99,-1.4 98,-0.1 2,-0.3 0.392 123.2 85.7 90.1 -2.2 1.5 -15.3 2.3 97 97 A K E < -HI 94 194B 93 -3,-1.5 -3,-3.4 97,-0.2 2,-0.3 -0.861 64.4-132.8-128.0 161.0 4.4 -12.9 1.5 98 98 A D E - I 0 193B 0 95,-2.9 95,-3.0 -2,-0.3 2,-0.4 -0.860 17.1-155.6-108.2 153.0 7.7 -12.8 -0.4 99 99 A Y E +HI 91 192B 85 -8,-2.6 -8,-2.1 -2,-0.3 2,-0.3 -0.996 13.7 179.3-132.9 128.6 10.9 -11.5 1.1 100 100 A I E +HI 90 191B 0 91,-2.3 91,-2.9 -2,-0.4 2,-0.3 -0.932 7.2 154.3-129.8 150.9 13.9 -10.2 -0.9 101 101 A D E -H 89 0B 20 -12,-2.1 -12,-2.8 -2,-0.3 2,-0.4 -0.976 34.7-124.8-157.3 166.9 17.3 -8.7 -0.1 102 102 A I E -H 88 0B 0 77,-0.5 79,-2.3 -2,-0.3 2,-0.4 -0.970 30.5-162.1-112.7 142.6 20.8 -8.2 -1.4 103 103 A S E -Hj 87 181B 0 -16,-2.3 -16,-2.3 -2,-0.4 79,-0.2 -0.984 29.8-178.6-128.9 138.5 23.7 -9.4 0.6 104 104 A N > + 0 0 1 77,-3.0 3,-2.0 -2,-0.4 78,-0.1 0.086 60.7 108.7-106.1 12.5 27.4 -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 0.790 86.0 41.2 -62.2 -28.9 27.9 -11.3 3.6 106 106 A K T 3 S- 0 0 94 1,-0.4 -21,-2.1 -21,-0.4 -1,-0.3 -0.042 126.1-102.4-105.3 28.3 29.7 -13.6 1.0 107 107 A G < - 0 0 0 -3,-2.0 -1,-0.4 -23,-0.3 2,-0.4 -0.265 38.2 -81.1 81.8-171.7 31.5 -10.7 -0.6 108 108 A F B +N 145 0F 2 37,-2.5 37,-3.0 -22,-0.1 -23,-0.1 -0.999 43.6 153.1-139.0 133.3 30.9 -8.8 -3.8 109 109 A N S S+ 0 0 14 1,-0.4 35,-0.1 -2,-0.4 -1,-0.1 0.663 72.3 18.5-122.3 -45.8 31.8 -9.6 -7.4 110 110 A V S S- 0 0 2 -58,-0.1 -1,-0.4 20,-0.0 -58,-0.1 -0.984 80.5-109.1-134.9 137.9 29.3 -7.9 -9.7 111 111 A P - 0 0 23 0, 0.0 93,-2.4 0, 0.0 2,-0.3 -0.380 42.4-166.6 -68.3 153.3 26.9 -4.9 -9.0 112 112 A M E -CD 126 203A 1 14,-2.4 14,-3.0 91,-0.3 2,-0.4 -0.998 27.2-162.1-147.0 140.9 23.2 -5.8 -8.8 113 113 A N E -CD 125 202A 17 89,-2.4 89,-2.7 -2,-0.3 2,-0.5 -0.976 12.9-170.9-115.5 137.2 19.7 -4.5 -8.8 114 114 A F E +CD 124 201A 0 10,-3.1 10,-2.6 -2,-0.4 87,-0.2 -0.945 21.4 158.9-129.9 105.4 16.9 -6.8 -7.5 115 115 A S E - D 0 200A 30 85,-2.5 85,-2.8 -2,-0.5 8,-0.2 -0.949 41.3-110.6-130.8 149.3 13.5 -5.4 -8.1 116 116 A P E - D 0 199A 24 0, 0.0 83,-0.3 0, 0.0 7,-0.1 -0.463 12.3-158.4 -68.7 150.5 9.9 -6.7 -8.4 117 117 A T S S+ 0 0 67 81,-2.6 2,-0.2 -2,-0.1 82,-0.2 0.315 78.8 61.3-105.6 3.6 8.3 -6.5 -11.8 118 118 A T S S- 0 0 54 80,-0.8 3,-0.4 1,-0.1 79,-0.1 -0.745 94.8 -81.0-124.2 170.1 4.8 -6.6 -10.2 119 119 A R S S+ 0 0 228 -2,-0.2 -1,-0.1 1,-0.2 -2,-0.1 -0.154 87.1 52.3 -75.7 159.8 3.2 -4.2 -7.7 120 120 A G S S+ 0 0 64 1,-0.1 2,-0.3 73,-0.1 -1,-0.2 0.443 93.6 42.7 109.5 0.6 3.3 -3.6 -4.0 121 121 A d S S- 0 0 33 -3,-0.4 2,-0.1 72,-0.1 -1,-0.1 -0.988 70.1-106.3-163.2 171.8 7.0 -3.2 -3.0 122 122 A R - 0 0 118 -2,-0.3 2,-0.2 70,-0.2 69,-0.1 -0.464 29.0-117.9 -98.5 165.9 10.3 -1.6 -3.8 123 123 A G - 0 0 20 -8,-0.2 2,-0.3 -2,-0.1 -8,-0.3 -0.484 19.2-134.7 -92.7 174.4 13.5 -3.0 -5.2 124 124 A V E -C 114 0A 1 -10,-2.6 -10,-3.1 -2,-0.2 2,-0.3 -0.922 19.6-167.7-127.7 153.4 17.0 -3.1 -3.6 125 125 A R E -C 113 0A 108 -2,-0.3 54,-0.4 -12,-0.2 2,-0.3 -1.000 24.7-178.2-147.8 141.7 20.3 -2.3 -5.2 126 126 A e E +C 112 0A 0 -14,-3.0 -14,-2.4 -2,-0.3 51,-0.1 -0.814 33.1 142.4-135.6 93.6 24.0 -2.6 -4.6 127 127 A A + 0 0 26 -2,-0.3 79,-0.1 -16,-0.2 50,-0.1 0.374 26.5 117.7-119.4 1.4 25.6 -0.9 -7.6 128 128 A A S S- 0 0 32 48,-0.3 2,-2.1 1,-0.1 3,-0.3 -0.203 79.8 -96.8 -69.3 164.7 28.6 0.9 -6.2 129 129 A D > + 0 0 103 1,-0.2 4,-2.1 2,-0.1 5,-0.2 -0.431 59.0 156.2 -83.9 66.8 32.2 0.1 -7.3 130 130 A I H > S+ 0 0 0 -2,-2.1 4,-1.0 1,-0.2 -1,-0.2 0.874 70.6 52.3 -63.9 -38.1 32.9 -2.2 -4.4 131 131 A V H >4 S+ 0 0 52 -3,-0.3 3,-0.8 1,-0.2 -1,-0.2 0.957 111.5 46.2 -64.3 -44.9 35.6 -4.1 -6.3 132 132 A G H 34 S+ 0 0 45 1,-0.2 -1,-0.2 13,-0.0 -2,-0.2 0.866 120.6 38.8 -62.9 -35.4 37.5 -0.9 -7.3 133 133 A Q H 3< S+ 0 0 120 -4,-2.1 -1,-0.2 2,-0.0 -2,-0.2 0.451 86.0 138.1 -93.9 -2.4 37.2 0.5 -3.7 134 134 A f << - 0 0 6 -4,-1.0 5,-0.1 -3,-0.8 -3,-0.1 -0.112 62.6-105.3 -51.3 133.3 37.9 -2.8 -1.9 135 135 A P >> - 0 0 37 0, 0.0 3,-1.8 0, 0.0 4,-0.9 -0.301 32.2-115.5 -53.3 141.8 40.2 -2.7 1.1 136 136 A A G >4 S+ 0 0 82 1,-0.3 3,-1.0 2,-0.2 -2,-0.1 0.852 113.8 52.8 -49.8 -45.5 43.6 -4.2 0.2 137 137 A K G 34 S+ 0 0 146 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.700 110.2 48.8 -70.6 -16.9 43.2 -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 0.510 79.4 116.7 -96.2 -9.8 39.8 -8.1 1.2 139 139 A K B << -O 145 0F 115 -3,-1.0 6,-0.2 -4,-0.9 3,-0.1 -0.403 61.5-139.1 -63.8 131.5 40.8 -8.1 -2.4 140 140 A A > - 0 0 14 4,-2.4 3,-2.2 1,-0.1 -1,-0.1 -0.837 1.4-146.3 -90.6 123.5 40.5 -11.6 -3.9 141 141 A P T 3 S+ 0 0 144 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.780 102.2 56.3 -59.6 -25.7 43.4 -12.4 -6.2 142 142 A G T 3 S- 0 0 40 1,-0.3 2,-0.1 -75,-0.1 -3,-0.0 0.493 130.5 -77.2 -79.0 -6.4 41.0 -14.5 -8.3 143 143 A G S < S+ 0 0 26 -3,-2.2 -1,-0.3 1,-0.3 2,-0.1 -0.067 87.8 45.5 119.8 144.3 38.7 -11.4 -8.7 144 144 A G S S- 0 0 13 -35,-0.1 -4,-2.4 -3,-0.1 2,-0.5 -0.304 83.6 -67.2 93.2-174.3 36.2 -9.5 -6.5 145 145 A f B -NO 108 139F 0 -37,-3.0 -37,-2.5 -6,-0.2 -6,-0.2 -0.964 48.1-143.2-123.5 108.2 36.1 -8.2 -2.9 146 146 A N - 0 0 21 -8,-2.8 -39,-0.2 -2,-0.5 2,-0.1 -0.392 15.2-117.3 -68.5 149.9 35.9 -10.9 -0.2 147 147 A D > - 0 0 8 1,-0.1 4,-1.6 -2,-0.1 5,-0.1 -0.451 30.8-111.8 -73.0 159.4 33.9 -10.6 2.9 148 148 A A H > S+ 0 0 9 1,-0.2 4,-2.8 2,-0.2 5,-0.5 0.777 114.5 60.1 -69.6 -27.9 36.0 -10.7 6.1 149 149 A g H > S+ 0 0 22 8,-0.4 4,-2.3 -44,-0.3 -1,-0.2 0.963 105.7 48.2 -61.7 -50.6 34.7 -14.1 7.2 150 150 A T H 4 S+ 0 0 48 1,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.888 118.6 40.9 -52.4 -44.2 36.1 -15.7 4.1 151 151 A V H < S+ 0 0 50 -4,-1.6 -2,-0.2 1,-0.1 -1,-0.2 0.921 130.3 19.6 -75.1 -45.6 39.4 -14.0 4.6 152 152 A F H < S- 0 0 78 -4,-2.8 -3,-0.2 -5,-0.1 -2,-0.2 0.621 79.3-145.2-111.7 -17.9 40.0 -14.3 8.4 153 153 A Q < + 0 0 142 -4,-2.3 2,-0.3 -5,-0.5 -4,-0.1 0.871 43.1 151.0 57.0 47.2 37.7 -17.1 9.7 154 154 A T > - 0 0 54 -6,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.784 58.4-122.1-107.2 155.7 37.0 -15.5 13.1 155 155 A S H >>S+ 0 0 72 -2,-0.3 4,-1.4 1,-0.2 5,-1.0 0.867 112.9 56.0 -58.8 -36.2 33.9 -15.9 15.2 156 156 A E H 45S+ 0 0 94 1,-0.2 -1,-0.2 2,-0.2 -7,-0.1 0.921 114.0 36.1 -66.1 -45.2 33.4 -12.1 15.1 157 157 A Y H 45S+ 0 0 66 1,-0.2 -8,-0.4 -9,-0.1 27,-0.3 0.838 123.1 43.5 -76.5 -32.7 33.4 -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 0.562 98.7-135.7 -90.4 -8.7 31.5 -15.2 10.7 159 159 A h T ><5 + 0 0 10 -4,-1.4 3,-1.7 -5,-0.2 -3,-0.2 0.812 40.6 167.1 55.7 37.6 29.0 -14.5 13.6 160 160 A T T 3 - 0 0 21 1,-0.1 4,-2.7 -3,-0.1 5,-0.2 -0.842 35.5 -96.7-136.1 169.5 33.5 -4.3 12.0 168 168 A E H > S+ 0 0 170 -2,-0.3 4,-1.1 1,-0.2 -1,-0.1 0.923 126.9 47.2 -57.2 -39.6 35.8 -2.0 10.0 169 169 A Y H >> S+ 0 0 38 2,-0.2 4,-1.5 1,-0.2 3,-0.5 0.932 111.1 48.0 -69.0 -46.4 35.3 -4.4 7.1 170 170 A S H 3> S+ 0 0 5 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.906 107.8 57.6 -61.2 -37.6 31.5 -4.7 7.3 171 171 A R H 3X S+ 0 0 139 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.800 100.1 57.9 -64.7 -29.2 31.3 -0.9 7.5 172 172 A F H < + 0 0 4 -4,-2.5 3,-1.5 -5,-0.2 -1,-0.3 -0.720 62.7 173.5-135.7 83.7 25.9 -0.2 -0.3 178 178 A P T 3 S+ 0 0 77 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.762 79.2 59.0 -60.2 -26.7 23.6 0.8 2.5 179 179 A D T 3 S+ 0 0 72 -54,-0.4 -77,-0.5 2,-0.1 2,-0.3 0.185 95.1 74.5 -97.6 20.9 20.8 -1.3 1.2 180 180 A A S < S- 0 0 0 -3,-1.5 -77,-0.3 -7,-0.1 2,-0.2 -0.952 91.6 -97.5-125.2 149.9 22.6 -4.6 1.3 181 181 A F B -j 103 0B 23 -79,-2.3 -77,-3.0 -2,-0.3 -76,-0.2 -0.451 34.3-176.8 -62.4 131.4 23.4 -6.8 4.3 182 182 A S + 0 0 10 1,-0.3 2,-0.3 -2,-0.2 -9,-0.2 0.595 67.5 3.6-107.8 -17.5 27.0 -6.2 5.3 183 183 A Y S > S- 0 0 39 -36,-0.1 3,-1.8 -10,-0.1 -1,-0.3 -0.945 86.8 -90.9-159.6 170.4 27.3 -8.8 8.1 184 184 A V T 3 S+ 0 0 69 -27,-0.3 -26,-0.0 1,-0.3 -27,-0.0 0.855 122.8 38.5 -61.1 -41.1 25.1 -11.5 9.6 185 185 A L T 3 S+ 0 0 80 -20,-0.1 -1,-0.3 -3,-0.0 -26,-0.0 0.098 84.0 140.4-100.0 23.7 23.5 -9.3 12.3 186 186 A D S < S- 0 0 18 -3,-1.8 3,-0.1 1,-0.1 -5,-0.1 -0.254 71.4 -87.9 -60.2 150.6 23.2 -6.2 10.2 187 187 A K - 0 0 173 1,-0.1 -1,-0.1 2,-0.1 -2,-0.0 -0.444 65.2 -99.2 -54.5 122.5 20.0 -4.1 10.6 188 188 A P - 0 0 93 0, 0.0 -1,-0.1 0, 0.0 -8,-0.0 -0.220 37.0-175.4 -61.3 143.9 17.8 -5.9 8.0 189 189 A T + 0 0 19 -87,-0.1 2,-0.3 -3,-0.1 -87,-0.2 -0.101 38.9 139.6-118.9 28.6 17.3 -4.4 4.6 190 190 A T - 0 0 56 -89,-0.1 2,-0.4 -10,-0.1 -89,-0.2 -0.567 42.7-145.0 -76.1 136.1 14.8 -7.1 3.6 191 191 A V E -I 100 0B 13 -91,-2.9 -91,-2.3 -2,-0.3 2,-0.6 -0.874 6.0-138.1-104.3 135.0 11.8 -5.9 1.6 192 192 A T E +I 99 0B 74 -2,-0.4 -93,-0.2 -93,-0.2 -70,-0.2 -0.828 27.0 179.6 -91.5 124.3 8.4 -7.5 2.0 193 193 A d E -I 98 0B 1 -95,-3.0 -95,-2.9 -2,-0.6 -73,-0.1 -0.818 38.4 -83.6-116.8 159.8 6.6 -8.1 -1.3 194 194 A P E > -I 97 0B 44 0, 0.0 3,-1.2 0, 0.0 -97,-0.2 -0.302 60.1 -91.0 -55.2 146.4 3.1 -9.6 -2.0 195 195 A G T 3 S+ 0 0 25 -99,-1.4 -98,-0.1 1,-0.3 -97,-0.1 -0.315 112.5 22.4 -56.9 142.7 3.2 -13.4 -2.1 196 196 A S T 3 S+ 0 0 74 1,-0.2 -1,-0.3 -3,-0.1 -104,-0.0 0.769 84.7 158.4 66.8 31.0 3.8 -14.6 -5.7 197 197 A S < - 0 0 3 -3,-1.2 2,-0.3 -196,-0.1 -1,-0.2 -0.326 34.5-131.5 -69.4 163.7 5.5 -11.4 -6.9 198 198 A N - 0 0 46 -197,-0.1 -81,-2.6 -2,-0.0 -80,-0.8 -0.826 26.2-161.9-115.3 163.3 7.7 -11.6 -10.0 199 199 A Y E -bD 3 116A 1 -197,-2.5 -195,-2.5 -83,-0.3 2,-0.4 -0.878 21.0-143.8-143.7 164.9 11.2 -10.1 -10.3 200 200 A R E -bD 4 115A 95 -85,-2.8 -85,-2.5 -2,-0.3 2,-0.5 -0.997 10.2-161.7-133.2 130.9 14.1 -8.9 -12.3 201 201 A V E -bD 5 114A 0 -197,-2.5 -195,-3.0 -2,-0.4 2,-0.5 -0.973 13.9-168.6-109.5 119.1 17.7 -9.2 -11.3 202 202 A T E -bD 6 113A 8 -89,-2.7 -89,-2.4 -2,-0.5 2,-0.3 -0.957 10.9-149.1-114.4 120.0 19.9 -6.8 -13.3 203 203 A F E S+bD 7 112A 0 -197,-2.9 -195,-2.2 -2,-0.5 -91,-0.3 -0.681 84.8 7.4 -82.6 139.3 23.7 -7.1 -13.2 204 204 A a S S+ 0 0 21 -93,-2.4 -1,-0.2 -2,-0.3 -92,-0.1 0.951 75.7 177.4 54.2 57.4 25.5 -3.8 -13.7 205 205 A P 0 0 9 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 0.799 360.0 360.0 -61.6 -29.5 22.3 -1.7 -13.4 206 206 A T 0 0 126 -79,-0.1 -2,-0.1 -78,-0.0 -3,-0.0 0.494 360.0 360.0-120.4 360.0 24.1 1.6 -13.7