==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PLANT PROTEIN 14-MAY-02 1LR2 . COMPND 2 MOLECULE: THAUMATIN I; . SOURCE 2 ORGANISM_SCIENTIFIC: THAUMATOCOCCUS DANIELLII; . AUTHOR C.CHARRON,A.KADRI,M.C.ROBERT,B.CAPELLE,R.GIEGE,B.LORBER . 207 1 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9799.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 122 58.9 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 . 58 28.0 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 . 16 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 7.2 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 . 3 0 2 2 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 26 0, 0.0 40,-3.0 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 143.4 17.0 7.4 27.5 2 2 A T E -A 40 0A 51 38,-0.2 197,-2.6 195,-0.1 2,-0.5 -0.799 360.0-168.9-103.0 142.6 15.6 9.4 24.6 3 3 A F E -Ab 39 199A 0 36,-2.3 36,-2.6 -2,-0.4 2,-0.7 -0.976 9.4-155.5-128.6 113.2 14.0 12.8 25.0 4 4 A E E -Ab 38 200A 46 195,-2.5 197,-2.6 -2,-0.5 2,-0.6 -0.833 11.1-159.5 -90.8 118.4 12.2 14.1 22.0 5 5 A I E -Ab 37 201A 0 32,-3.3 32,-2.8 -2,-0.7 2,-0.4 -0.896 11.7-173.7-103.3 119.3 12.1 17.9 22.3 6 6 A V E -Ab 36 202A 14 195,-3.1 197,-2.9 -2,-0.6 2,-0.8 -0.942 17.7-150.7-118.8 131.7 9.4 19.5 20.2 7 7 A N E + b 0 203A 0 28,-2.7 27,-3.0 -2,-0.4 197,-0.1 -0.854 24.4 163.2-103.8 105.6 8.7 23.1 19.6 8 8 A R + 0 0 117 195,-2.2 196,-0.2 -2,-0.8 -1,-0.1 0.367 42.5 115.2 -97.1 2.1 5.1 23.8 19.0 9 9 A a S S- 0 0 0 2,-0.2 25,-0.3 194,-0.1 4,-0.1 -0.350 74.8-126.9 -68.7 155.0 5.5 27.5 19.7 10 10 A S S S+ 0 0 111 23,-0.1 2,-0.3 2,-0.1 23,-0.2 0.531 93.6 62.4 -78.3 -6.6 4.9 30.0 16.9 11 11 A Y S S- 0 0 91 21,-0.1 -2,-0.2 1,-0.0 2,-0.1 -0.836 94.9 -97.1-119.6 156.6 8.3 31.4 17.6 12 12 A T - 0 0 44 -2,-0.3 43,-0.4 21,-0.1 2,-0.3 -0.382 39.5-174.4 -69.0 145.6 11.8 29.9 17.5 13 13 A V E -E 31 0B 0 18,-2.2 18,-3.1 41,-0.1 2,-0.7 -0.947 23.8-132.8-136.0 158.5 13.4 28.6 20.7 14 14 A W E -EF 30 53B 30 39,-2.5 39,-0.7 -2,-0.3 16,-0.3 -0.938 27.4-142.6-114.9 104.9 16.8 27.3 21.5 15 15 A A E -EF 29 52B 0 14,-1.9 14,-1.8 -2,-0.7 2,-0.3 -0.334 17.7-166.4 -66.3 148.9 16.5 24.1 23.4 16 16 A A E -EF 28 51B 0 35,-2.2 35,-1.9 12,-0.2 2,-0.3 -0.990 11.0-176.0-138.6 146.2 19.0 23.4 26.2 17 17 A A E + F 0 50B 0 10,-2.3 7,-2.2 -2,-0.3 2,-0.3 -0.956 20.2 141.4-146.6 123.2 19.8 20.3 28.2 18 18 A S E -EF 23 49B 0 31,-2.1 31,-2.3 -2,-0.3 5,-0.2 -0.978 46.4-142.5-156.0 161.2 22.3 20.1 31.1 19 19 A K - 0 0 79 3,-2.5 2,-0.3 -2,-0.3 4,-0.1 0.078 63.2 -99.9-114.0 19.8 22.9 18.5 34.5 20 20 A G S S+ 0 0 18 2,-0.4 60,-0.4 1,-0.1 3,-0.1 -0.185 117.3 43.5 95.8 -42.8 24.5 21.6 35.9 21 21 A D S S+ 0 0 100 -2,-0.3 2,-0.3 1,-0.2 58,-0.1 0.361 122.4 22.9-115.5 2.0 28.2 20.6 35.5 22 22 A A S S- 0 0 34 5,-0.0 -3,-2.5 55,-0.0 -2,-0.4 -0.988 80.9-101.8-161.6 157.1 28.0 19.1 32.1 23 23 A A E -E 18 0B 34 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.3 -0.425 28.5-131.2 -79.0 157.9 25.9 19.2 28.9 24 24 A L E > S- 0 0 8 -7,-2.2 3,-2.2 53,-0.3 -7,-0.1 -0.965 74.8 -35.1-108.0 126.6 23.4 16.4 28.2 25 25 A D E 3 S- 0 0 79 -2,-0.5 -2,-0.1 1,-0.3 14,-0.1 -0.328 134.8 -16.0 56.8-142.1 23.9 15.2 24.6 26 26 A A E 3 S- 0 0 35 1,-0.1 -1,-0.3 -3,-0.1 -3,-0.1 0.626 89.3-132.2 -66.4 -13.6 24.9 18.2 22.4 27 27 A G E < S+ 0 0 0 -3,-2.2 -10,-2.3 49,-0.1 50,-0.6 0.065 71.8 11.5 86.1 -28.0 23.6 20.5 25.2 28 28 A G E +E 16 0B 3 -12,-0.3 2,-0.3 48,-0.2 -12,-0.2 -0.943 56.1 175.0-176.0 154.2 21.6 22.8 23.0 29 29 A R E -E 15 0B 88 -14,-1.8 -14,-1.9 -2,-0.3 2,-0.2 -0.964 36.2-100.7-165.5 150.5 20.1 23.3 19.5 30 30 A Q E -E 14 0B 84 -2,-0.3 2,-0.4 -16,-0.3 -16,-0.2 -0.557 30.6-167.0 -76.4 138.0 17.9 25.7 17.6 31 31 A L E -E 13 0B 0 -18,-3.1 -18,-2.2 -2,-0.2 3,-0.1 -0.913 5.6-157.8-129.2 102.8 14.3 24.6 17.2 32 32 A N > - 0 0 60 -2,-0.4 3,-2.2 -20,-0.2 -25,-0.2 -0.249 51.8 -61.0 -68.3 167.3 12.3 26.6 14.6 33 33 A S T 3 S+ 0 0 68 1,-0.3 -1,-0.2 -23,-0.2 -25,-0.2 -0.315 127.5 10.6 -55.3 122.8 8.5 26.5 15.0 34 34 A G T 3 S+ 0 0 52 -27,-3.0 -1,-0.3 1,-0.3 -26,-0.1 0.198 95.8 134.2 94.4 -15.2 7.3 22.9 14.6 35 35 A E < - 0 0 74 -3,-2.2 -28,-2.7 -28,-0.1 2,-0.4 -0.302 40.6-151.8 -71.9 152.6 10.8 21.3 14.7 36 36 A S E -A 6 0A 59 -30,-0.2 2,-0.4 -28,-0.0 -30,-0.2 -0.974 9.1-172.9-125.1 137.8 11.7 18.2 16.8 37 37 A W E -A 5 0A 24 -32,-2.8 -32,-3.3 -2,-0.4 2,-0.5 -0.994 10.0-155.8-132.1 121.7 15.1 17.4 18.2 38 38 A T E -A 4 0A 73 -2,-0.4 2,-0.3 -34,-0.3 -34,-0.2 -0.879 14.7-175.8-103.5 125.3 15.8 14.0 19.9 39 39 A I E -A 3 0A 0 -36,-2.6 -36,-2.3 -2,-0.5 2,-0.5 -0.776 20.3-131.3-115.4 163.0 18.6 13.7 22.4 40 40 A N E -A 2 0A 95 -2,-0.3 2,-0.5 -38,-0.2 -38,-0.2 -0.962 17.2-165.6-116.1 129.1 20.0 10.9 24.3 41 41 A V - 0 0 4 -40,-3.0 3,-0.1 -2,-0.5 4,-0.1 -0.952 28.0-112.1-114.4 129.7 20.6 11.2 28.0 42 42 A E > - 0 0 155 -2,-0.5 3,-1.5 1,-0.1 50,-0.2 -0.308 37.1-103.7 -62.1 137.8 22.8 8.6 29.8 43 43 A P T 3 S+ 0 0 79 0, 0.0 3,-0.1 0, 0.0 50,-0.1 -0.218 107.9 35.2 -56.0 153.1 21.0 6.3 32.3 44 44 A G T 3 S+ 0 0 38 1,-0.3 2,-0.3 -3,-0.1 49,-0.1 0.446 77.0 156.6 81.6 -2.6 21.6 7.3 35.9 45 45 A T < - 0 0 11 -3,-1.5 47,-3.2 46,-0.1 2,-0.4 -0.433 25.5-161.0 -60.8 121.3 21.6 11.0 35.1 46 46 A N + 0 0 97 -2,-0.3 45,-0.2 45,-0.3 -1,-0.0 -0.894 64.8 7.2-109.1 134.2 20.7 12.8 38.3 47 47 A G S S+ 0 0 26 -2,-0.4 44,-0.2 1,-0.2 -1,-0.2 0.875 82.5 165.3 68.3 38.4 19.4 16.4 38.4 48 48 A G E - G 0 90B 0 42,-2.8 42,-2.3 -3,-0.3 2,-0.3 -0.527 14.5-167.4 -85.6 156.2 19.1 16.9 34.7 49 49 A K E -FG 18 89B 39 -31,-2.3 -31,-2.1 40,-0.2 2,-0.4 -0.997 13.5-166.4-145.1 147.2 17.1 19.7 33.2 50 50 A I E +FG 17 88B 0 38,-2.2 38,-2.4 -2,-0.3 2,-0.3 -0.991 22.5 156.9-130.8 139.1 15.7 20.7 29.8 51 51 A W E -F 16 0B 0 -35,-1.9 -35,-2.2 -2,-0.4 2,-0.3 -0.954 35.8-108.9-154.3 170.9 14.5 24.2 29.0 52 52 A A E -F 15 0B 1 34,-0.4 2,-0.4 -2,-0.3 -37,-0.2 -0.795 20.9-156.7-106.3 150.1 13.8 26.7 26.2 53 53 A R E -F 14 0B 0 -39,-0.7 -39,-2.5 -2,-0.3 2,-0.3 -0.970 12.3-153.8-124.0 141.7 15.7 29.8 25.5 54 54 A T E +K 68 0C 15 14,-0.8 13,-1.6 -2,-0.4 14,-1.1 -0.836 61.7 13.4-119.3 155.6 14.2 32.8 23.6 55 55 A D E S+ 0 0 85 -43,-0.4 12,-0.6 -2,-0.3 2,-0.2 0.917 80.0 171.3 50.0 59.3 15.6 35.6 21.4 56 56 A b E -K 66 0C 6 10,-0.2 2,-0.4 -3,-0.2 10,-0.2 -0.656 24.7-167.1-100.0 155.4 19.1 34.2 20.9 57 57 A Y E +K 65 0C 179 8,-2.2 8,-2.1 -2,-0.2 2,-0.4 -0.986 12.8 177.0-139.6 123.5 21.9 35.3 18.7 58 58 A F E -K 64 0C 49 -2,-0.4 6,-0.2 6,-0.2 2,-0.1 -0.973 18.1-140.0-130.4 146.1 24.9 33.1 18.1 59 59 A D > - 0 0 86 4,-2.4 3,-1.6 -2,-0.4 5,-0.0 -0.216 46.0 -80.9 -89.2-173.2 28.0 33.5 15.9 60 60 A D T 3 S+ 0 0 180 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.773 130.4 54.6 -59.7 -30.1 29.8 30.8 13.9 61 61 A S T 3 S- 0 0 93 2,-0.2 -1,-0.3 14,-0.0 14,-0.1 0.517 120.5-107.4 -83.4 -5.7 31.6 29.5 16.9 62 62 A G S < S+ 0 0 16 -3,-1.6 13,-2.5 1,-0.3 2,-0.4 0.768 77.8 129.3 85.9 25.8 28.3 29.0 18.8 63 63 A S B +L 74 0D 48 11,-0.2 -4,-2.4 12,-0.1 -1,-0.3 -0.925 25.6 88.8-116.1 139.9 28.8 32.0 21.2 64 64 A G E -K 58 0C 34 9,-2.9 2,-0.3 -2,-0.4 -6,-0.2 -0.788 62.5 -76.5 178.2-131.9 26.3 34.7 21.8 65 65 A I E -K 57 0C 101 -8,-2.1 -8,-2.2 -2,-0.2 2,-0.3 -0.985 18.3-154.0-163.6 152.0 23.4 35.5 24.0 66 66 A b E -K 56 0C 7 -2,-0.3 4,-0.4 -10,-0.2 -10,-0.2 -0.959 22.3-133.8-128.4 149.0 19.7 34.8 24.7 67 67 A K E S+ 0 0 126 -13,-1.6 2,-0.4 -12,-0.6 -12,-0.2 0.748 95.7 25.6 -73.7 -26.6 17.1 37.0 26.4 68 68 A T E S+K 54 0C 3 -14,-1.1 -14,-0.8 1,-0.0 -1,-0.2 -0.998 128.1 9.0-137.4 140.9 15.9 34.1 28.6 69 69 A G S S+ 0 0 0 13,-2.2 -2,-0.1 -2,-0.4 16,-0.1 0.523 73.6 172.8 74.2 9.4 17.7 31.0 29.7 70 70 A D - 0 0 27 -4,-0.4 12,-2.2 12,-0.2 2,-0.6 -0.209 20.3-156.2 -52.6 132.0 21.1 32.0 28.5 71 71 A c > - 0 0 4 3,-0.4 3,-1.2 10,-0.2 7,-0.3 -0.692 69.3 -51.4-114.0 77.6 23.8 29.5 29.6 72 72 A G T 3 S- 0 0 73 -2,-0.6 3,-0.1 1,-0.2 -8,-0.1 0.824 100.0 -66.6 63.4 31.3 27.0 31.4 29.6 73 73 A G T 3 S+ 0 0 9 1,-0.2 -9,-2.9 -10,-0.1 2,-0.4 0.645 100.5 134.3 65.8 17.8 26.5 32.7 26.1 74 74 A L B < -L 63 0D 54 -3,-1.2 -3,-0.4 -11,-0.2 -11,-0.2 -0.807 53.4-152.9-105.6 140.1 26.8 29.2 24.6 75 75 A L S S+ 0 0 46 -13,-2.5 2,-1.2 -2,-0.4 -1,-0.2 0.952 98.2 52.8 -67.4 -47.1 24.6 27.5 22.0 76 76 A R S S- 0 0 150 -14,-0.3 -1,-0.3 -3,-0.1 -48,-0.2 -0.731 96.0-139.4 -93.2 92.8 25.6 24.1 23.4 77 77 A c + 0 0 0 -2,-1.2 -53,-0.3 -50,-0.6 -60,-0.2 -0.222 34.1 168.1 -57.3 134.4 24.8 24.5 27.1 78 78 A K S S+ 0 0 91 -7,-0.3 -59,-0.2 -55,-0.1 2,-0.2 0.476 72.2 36.4-116.9 -17.4 27.2 23.0 29.6 79 79 A R S S- 0 0 158 -8,-0.2 -58,-0.1 -58,-0.1 -62,-0.1 -0.793 98.6 -76.8-129.6 172.8 25.6 24.8 32.6 80 80 A F - 0 0 83 -60,-0.4 2,-0.1 -2,-0.2 -2,-0.1 -0.261 54.7-102.7 -70.5 160.1 22.1 25.7 33.7 81 81 A G - 0 0 16 -10,-0.1 -11,-0.2 1,-0.1 -10,-0.2 -0.428 29.6 -98.1 -88.5 159.0 20.4 28.7 32.2 82 82 A R - 0 0 170 -12,-2.2 -13,-2.2 -2,-0.1 -12,-0.2 -0.542 62.8 -74.4 -74.1 127.8 19.7 32.3 33.4 83 83 A P S S+ 0 0 27 0, 0.0 24,-0.1 0, 0.0 63,-0.1 -0.234 103.4 66.7 -59.7 155.4 16.2 32.8 34.9 84 84 A P S S+ 0 0 4 0, 0.0 2,-0.3 0, 0.0 23,-0.3 0.333 72.5 142.4 -80.2 136.2 13.5 33.1 33.9 85 85 A T - 0 0 3 21,-2.1 21,-0.4 60,-0.1 2,-0.3 -0.942 46.8-139.4-144.6 117.7 13.3 29.5 32.7 86 86 A T - 0 0 0 -2,-0.3 2,-0.5 -34,-0.2 -34,-0.4 -0.617 37.0-143.2 -70.7 135.0 10.4 27.1 32.9 87 87 A L E - H 0 103B 9 16,-2.4 16,-2.4 -2,-0.3 2,-0.6 -0.912 25.4-163.4-118.6 128.9 12.2 23.8 33.9 88 88 A A E -GH 50 102B 0 -38,-2.4 -38,-2.2 -2,-0.5 2,-0.4 -0.901 31.2-169.0 -96.2 120.0 11.6 20.1 32.9 89 89 A E E +GH 49 101B 29 12,-2.9 12,-1.9 -2,-0.6 2,-0.3 -0.916 11.9 166.9-121.0 143.8 13.5 18.3 35.6 90 90 A F E -GH 48 100B 2 -42,-2.3 -42,-2.8 -2,-0.4 2,-0.4 -1.000 25.9-165.4-156.9 151.2 14.5 14.7 35.9 91 91 A S E - H 0 99B 25 8,-1.9 8,-2.5 -2,-0.3 2,-0.3 -0.985 27.8-152.1-136.1 121.4 16.6 12.1 37.7 92 92 A L E + 0 0 0 -47,-3.2 6,-0.2 -2,-0.4 3,-0.1 -0.755 63.1 4.7-104.9 146.0 16.9 8.7 35.9 93 93 A N E S+ 0 0 45 -2,-0.3 2,-0.9 1,-0.2 -1,-0.2 0.936 71.2 166.2 51.2 56.4 17.4 5.2 37.2 94 94 A Q E > S- H 0 97B 48 3,-3.4 3,-1.2 -3,-0.3 -1,-0.2 -0.882 80.0 -30.3-103.0 98.7 17.4 6.3 40.9 95 95 A Y T 3 S- 0 0 232 -2,-0.9 -1,-0.2 1,-0.3 3,-0.1 0.933 128.8 -43.5 54.1 49.8 17.0 2.9 42.6 96 96 A G T 3 S+ 0 0 54 1,-0.2 99,-1.3 -3,-0.1 2,-0.3 0.376 123.6 86.3 82.3 -3.0 15.1 1.4 39.7 97 97 A K E < -HI 94 194B 93 -3,-1.2 -3,-3.4 97,-0.2 2,-0.3 -0.877 64.4-133.5-130.6 161.8 12.8 4.4 39.0 98 98 A D E - I 0 193B 0 95,-2.8 95,-2.9 -2,-0.3 2,-0.4 -0.842 18.0-157.0-108.0 149.2 12.7 7.7 37.1 99 99 A Y E +HI 91 192B 87 -8,-2.5 -8,-1.9 -2,-0.3 2,-0.3 -0.992 14.9 175.0-132.0 125.8 11.5 10.9 38.6 100 100 A I E +HI 90 191B 0 91,-2.2 91,-3.2 -2,-0.4 2,-0.3 -0.927 6.6 150.4-131.0 154.0 10.2 13.9 36.6 101 101 A D E -H 89 0B 18 -12,-1.9 -12,-2.9 -2,-0.3 2,-0.4 -0.969 36.3-120.4-165.2 169.9 8.6 17.3 37.3 102 102 A I E -H 88 0B 0 77,-0.5 79,-2.2 -2,-0.3 2,-0.4 -0.961 30.5-160.7-119.8 142.3 8.2 20.8 36.0 103 103 A S E -Hj 87 181B 1 -16,-2.4 -16,-2.4 -2,-0.4 79,-0.2 -0.981 29.3-178.1-131.0 141.4 9.4 23.7 38.1 104 104 A N > + 0 0 0 77,-3.0 3,-1.9 -2,-0.4 78,-0.1 0.087 61.0 108.8-113.4 12.4 8.7 27.4 38.2 105 105 A I T 3 S+ 0 0 44 1,-0.3 44,-0.3 76,-0.2 79,-0.1 0.774 85.6 41.6 -62.4 -27.2 11.2 28.0 41.0 106 106 A K T 3 S- 0 0 92 1,-0.5 -21,-2.1 -21,-0.4 -1,-0.3 -0.068 126.4-100.3-108.4 28.6 13.5 29.7 38.5 107 107 A G < - 0 0 0 -3,-1.9 -1,-0.5 -23,-0.3 2,-0.4 -0.203 38.3 -84.9 84.1-175.0 10.7 31.6 36.9 108 108 A F B +M 145 0E 2 37,-2.5 37,-2.8 -22,-0.1 -4,-0.1 -0.998 43.5 152.6-138.3 134.5 8.8 30.9 33.7 109 109 A N S S+ 0 0 12 1,-0.4 35,-0.1 -2,-0.4 -1,-0.1 0.615 71.8 22.4-125.5 -42.2 9.6 31.9 30.1 110 110 A V S S- 0 0 0 -58,-0.1 -1,-0.4 20,-0.0 -58,-0.1 -0.985 79.0-112.0-134.0 139.1 7.9 29.3 27.8 111 111 A P - 0 0 21 0, 0.0 93,-2.4 0, 0.0 2,-0.3 -0.356 42.7-174.1 -67.3 149.4 4.9 26.9 28.4 112 112 A M E -CD 126 203A 1 14,-2.5 14,-2.7 91,-0.3 2,-0.4 -0.998 29.2-157.9-151.8 148.5 5.8 23.2 28.5 113 113 A N E -CD 125 202A 16 89,-2.1 89,-3.0 -2,-0.3 2,-0.5 -0.988 13.4-167.5-121.5 135.7 4.5 19.7 28.7 114 114 A F E +CD 124 201A 0 10,-3.0 10,-2.5 -2,-0.4 87,-0.2 -0.933 23.2 159.1-126.5 102.0 6.9 17.0 30.0 115 115 A S E - D 0 200A 31 85,-2.4 85,-2.7 -2,-0.5 2,-0.1 -0.928 41.2-112.4-130.2 154.1 5.5 13.5 29.3 116 116 A P E - D 0 199A 22 0, 0.0 83,-0.3 0, 0.0 7,-0.1 -0.477 11.9-157.4 -77.6 151.2 6.8 9.9 29.1 117 117 A T S S+ 0 0 66 81,-2.6 2,-0.2 -2,-0.1 82,-0.2 0.331 78.8 65.8-105.8 0.1 6.5 8.3 25.6 118 118 A T S S- 0 0 53 80,-0.9 3,-0.4 1,-0.1 79,-0.1 -0.731 94.1 -89.7-115.8 168.4 6.6 4.9 27.3 119 119 A R S S+ 0 0 225 -2,-0.2 -1,-0.1 1,-0.2 -2,-0.1 -0.222 86.5 62.1 -78.5 164.8 4.1 3.2 29.6 120 120 A G S S+ 0 0 59 1,-0.1 2,-0.3 73,-0.1 -1,-0.2 0.333 94.1 33.5 111.4 -10.6 3.8 3.4 33.4 121 121 A d S S- 0 0 33 -3,-0.4 2,-0.2 72,-0.1 -1,-0.1 -0.983 70.7-106.1-165.6 169.4 3.2 7.0 34.4 122 122 A R - 0 0 167 -2,-0.3 2,-0.1 70,-0.2 69,-0.0 -0.569 31.8-113.4-103.4 168.2 1.6 10.2 33.5 123 123 A G - 0 0 27 -2,-0.2 2,-0.3 -8,-0.1 -8,-0.3 -0.383 19.7-132.8 -92.7 174.5 3.0 13.5 32.2 124 124 A V E -C 114 0A 8 -10,-2.5 -10,-3.0 -2,-0.1 2,-0.3 -0.927 22.3-170.1-125.6 152.2 3.2 16.9 33.9 125 125 A R E +C 113 0A 119 -2,-0.3 54,-0.4 -12,-0.2 2,-0.3 -1.000 26.4 179.1-149.8 145.2 2.3 20.3 32.3 126 126 A e E +C 112 0A 1 -14,-2.7 -14,-2.5 -2,-0.3 51,-0.1 -0.805 31.4 141.8-140.7 94.5 2.5 24.1 32.9 127 127 A A + 0 0 24 -2,-0.3 79,-0.1 -16,-0.3 50,-0.1 0.243 27.5 121.3-121.9 11.5 0.9 25.7 29.8 128 128 A A S S- 0 0 30 48,-0.2 2,-2.0 1,-0.1 3,-0.3 -0.280 79.1 -97.8 -71.6 162.4 -0.9 28.6 31.3 129 129 A D > + 0 0 98 1,-0.2 4,-2.2 2,-0.1 5,-0.2 -0.461 59.0 156.9 -83.8 68.5 -0.1 32.2 30.1 130 130 A I H > S+ 0 0 0 -2,-2.0 4,-1.0 1,-0.2 -1,-0.2 0.860 70.3 53.4 -63.6 -35.1 2.2 33.0 33.0 131 131 A V H >4 S+ 0 0 55 -3,-0.3 3,-0.6 1,-0.2 -1,-0.2 0.951 110.4 46.3 -67.2 -44.0 4.1 35.6 31.1 132 132 A G H 34 S+ 0 0 46 1,-0.2 -2,-0.2 13,-0.0 -1,-0.2 0.889 120.4 39.1 -63.4 -39.2 0.9 37.5 30.2 133 133 A Q H 3< S+ 0 0 119 -4,-2.2 -1,-0.2 2,-0.0 -2,-0.2 0.459 85.2 139.4 -89.6 -3.1 -0.5 37.3 33.7 134 134 A f << - 0 0 6 -4,-1.0 5,-0.1 -3,-0.6 -3,-0.1 -0.094 61.5-106.7 -45.9 132.7 2.8 37.9 35.5 135 135 A P >> - 0 0 37 0, 0.0 3,-1.8 0, 0.0 4,-0.9 -0.356 32.7-114.4 -61.2 141.7 2.6 40.2 38.6 136 136 A A G >4 S+ 0 0 83 1,-0.3 3,-0.9 2,-0.2 -2,-0.1 0.851 113.5 52.7 -45.1 -46.9 4.2 43.6 37.7 137 137 A K G 34 S+ 0 0 149 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.674 110.3 48.3 -69.0 -17.7 7.1 43.3 40.2 138 138 A L G <4 S+ 0 0 0 -3,-1.8 8,-2.8 2,-0.1 -1,-0.2 0.530 79.5 119.5 -98.1 -9.7 8.1 39.9 38.7 139 139 A K B << -N 145 0E 117 -4,-0.9 6,-0.2 -3,-0.9 3,-0.1 -0.368 61.3-135.6 -60.4 131.0 8.0 40.9 35.0 140 140 A A > - 0 0 14 4,-2.4 3,-2.8 1,-0.2 -1,-0.1 -0.803 1.7-148.8 -91.1 119.4 11.5 40.4 33.5 141 141 A P T 3 S+ 0 0 141 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.861 102.9 53.2 -53.8 -35.0 12.4 43.4 31.3 142 142 A G T 3 S- 0 0 37 1,-0.2 2,-0.1 -75,-0.1 -2,-0.0 0.510 131.7 -80.0 -77.7 -4.3 14.4 41.0 29.1 143 143 A G S < S+ 0 0 26 -3,-2.8 -1,-0.2 1,-0.3 2,-0.1 -0.060 87.1 50.7 116.6 143.2 11.3 38.8 28.8 144 144 A G S S- 0 0 13 -35,-0.1 -4,-2.4 -3,-0.1 2,-0.5 -0.391 83.4 -69.8 96.0-176.8 9.5 36.2 30.9 145 145 A f B -MN 108 139E 0 -37,-2.8 -37,-2.5 -6,-0.2 -6,-0.2 -0.957 46.7-142.2-125.2 109.5 8.2 36.1 34.5 146 146 A N - 0 0 22 -8,-2.8 -39,-0.2 -2,-0.5 2,-0.1 -0.341 15.5-118.3 -70.0 151.2 10.9 36.0 37.2 147 147 A D > - 0 0 7 1,-0.1 4,-1.6 -42,-0.1 5,-0.1 -0.487 30.9-111.2 -80.6 161.1 10.6 33.9 40.4 148 148 A A H > S+ 0 0 10 1,-0.2 4,-3.0 2,-0.2 5,-0.4 0.767 114.0 59.6 -67.4 -28.4 10.7 36.0 43.6 149 149 A g H > S+ 0 0 22 8,-0.4 4,-2.5 -44,-0.3 -1,-0.2 0.959 106.3 47.9 -65.1 -50.4 14.0 34.7 44.8 150 150 A T H 4 S+ 0 0 49 1,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.904 118.4 41.5 -54.7 -44.2 15.7 36.0 41.6 151 151 A V H < S+ 0 0 51 -4,-1.6 -2,-0.2 1,-0.1 -1,-0.2 0.940 130.6 19.0 -73.1 -46.7 14.0 39.4 42.0 152 152 A F H < S- 0 0 78 -4,-3.0 -3,-0.2 -5,-0.1 -2,-0.2 0.641 79.4-146.3-104.7 -16.3 14.3 40.0 45.8 153 153 A Q < + 0 0 139 -4,-2.5 2,-0.3 -5,-0.4 -4,-0.1 0.887 42.3 149.6 51.6 50.8 17.1 37.7 47.1 154 154 A T > - 0 0 55 -6,-0.2 4,-2.6 1,-0.1 5,-0.3 -0.795 59.3-119.7-110.6 157.0 15.6 37.0 50.5 155 155 A S H >>S+ 0 0 64 -2,-0.3 4,-1.6 1,-0.2 5,-0.7 0.847 113.8 56.5 -60.9 -33.3 15.9 33.9 52.7 156 156 A E H 45S+ 0 0 87 2,-0.2 -1,-0.2 1,-0.2 9,-0.1 0.928 113.7 35.0 -67.9 -45.0 12.2 33.5 52.5 157 157 A Y H 45S+ 0 0 67 1,-0.2 -8,-0.4 -9,-0.1 27,-0.4 0.848 124.9 42.8 -76.1 -35.1 11.9 33.4 48.7 158 158 A g H <5S- 0 0 31 -4,-2.6 -2,-0.2 -9,-0.2 -3,-0.2 0.633 96.8-140.0 -85.9 -13.1 15.1 31.6 48.2 159 159 A h T ><5 + 0 0 9 -4,-1.6 3,-1.7 -5,-0.3 -3,-0.2 0.827 43.0 158.9 56.6 35.4 14.5 29.2 51.1 160 160 A T T 3 < + 0 0 91 -5,-0.7 -4,-0.1 1,-0.3 -5,-0.1 0.867 69.0 47.8 -55.9 -43.1 18.1 29.5 52.0 161 161 A T T 3 S- 0 0 85 -6,-0.3 -1,-0.3 2,-0.2 3,-0.1 0.373 112.5-116.9 -82.2 4.6 17.6 28.3 55.6 162 162 A G S < S+ 0 0 46 -3,-1.7 2,-0.5 -7,-0.2 -2,-0.1 0.525 92.8 101.4 72.0 1.8 15.6 25.4 54.4 163 163 A K + 0 0 169 -8,-0.1 2,-0.3 2,-0.0 -2,-0.2 -0.888 46.2 125.0-122.6 97.9 12.7 27.0 56.4 164 164 A h - 0 0 19 -2,-0.5 -8,-0.1 -5,-0.1 -7,-0.1 -0.976 37.4-151.8-148.4 159.1 10.3 28.9 54.1 165 165 A G - 0 0 21 -2,-0.3 19,-0.1 1,-0.2 20,-0.1 -0.660 40.3 -70.0-124.2-179.4 6.6 28.9 53.3 166 166 A P - 0 0 61 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.318 52.3-158.6 -68.6 159.4 4.4 29.8 50.3 167 167 A T > - 0 0 20 1,-0.1 4,-2.8 -3,-0.1 5,-0.2 -0.838 35.1 -98.7-134.3 170.6 4.3 33.5 49.4 168 168 A E H > S+ 0 0 164 -2,-0.3 4,-0.9 1,-0.2 -1,-0.1 0.915 126.7 46.7 -57.8 -39.9 2.0 35.8 47.5 169 169 A Y H >> S+ 0 0 36 2,-0.2 4,-1.4 1,-0.2 3,-0.6 0.921 111.5 47.8 -69.6 -44.0 4.4 35.4 44.6 170 170 A S H 3> S+ 0 0 5 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.908 107.1 58.7 -64.5 -36.1 4.7 31.6 44.8 171 171 A R H 3X S+ 0 0 144 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.801 100.3 58.0 -61.4 -28.3 0.9 31.3 45.0 172 172 A F H < + 0 0 3 -4,-2.5 3,-1.5 -5,-0.3 -1,-0.3 -0.713 62.4 172.4-133.3 83.6 0.2 26.0 37.2 178 178 A P T 3 S+ 0 0 77 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.794 79.6 60.1 -58.6 -29.2 -0.9 23.7 40.0 179 179 A D T 3 S+ 0 0 94 -54,-0.4 -77,-0.5 2,-0.1 2,-0.3 0.177 95.0 71.6 -90.8 19.4 1.2 20.9 38.6 180 180 A A S < S- 0 0 0 -3,-1.5 -77,-0.3 -7,-0.1 2,-0.2 -0.957 92.2 -95.9-131.3 151.6 4.6 22.6 38.8 181 181 A F B -j 103 0B 22 -79,-2.2 -77,-3.0 -2,-0.3 -76,-0.2 -0.483 34.0-176.2 -65.8 128.0 6.8 23.5 41.8 182 182 A S + 0 0 11 1,-0.3 2,-0.3 -2,-0.2 -1,-0.2 0.578 68.0 2.2-101.5 -18.3 6.1 27.1 42.8 183 183 A Y S > S- 0 0 40 1,-0.1 3,-1.8 -36,-0.1 -1,-0.3 -0.962 86.4 -88.4-158.5 167.5 8.8 27.4 45.5 184 184 A V T 3 S+ 0 0 65 -27,-0.4 -1,-0.1 -2,-0.3 -26,-0.1 0.856 123.1 36.1 -49.5 -47.5 11.5 25.2 47.1 185 185 A L T 3 S+ 0 0 82 -20,-0.1 -1,-0.3 -3,-0.1 -26,-0.0 0.090 85.6 141.7 -99.5 24.9 9.4 23.5 49.8 186 186 A D S < S- 0 0 19 -3,-1.8 3,-0.1 1,-0.2 -5,-0.1 -0.211 70.5 -85.3 -62.4 153.4 6.2 23.3 47.7 187 187 A K - 0 0 164 1,-0.1 -1,-0.2 2,-0.1 -4,-0.0 -0.503 64.7 -98.6 -61.4 119.1 4.1 20.1 48.0 188 188 A P - 0 0 95 0, 0.0 -1,-0.1 0, 0.0 -8,-0.0 -0.027 39.0-178.6 -44.6 133.7 5.9 17.8 45.6 189 189 A T + 0 0 28 -87,-0.1 2,-0.3 -3,-0.1 -87,-0.2 -0.103 38.0 138.7-123.5 30.7 4.4 17.4 42.1 190 190 A T - 0 0 54 -89,-0.1 2,-0.4 -10,-0.1 -89,-0.2 -0.595 43.9-144.0 -80.1 135.3 7.1 14.9 41.1 191 191 A V E -I 100 0B 3 -91,-3.2 -91,-2.2 -2,-0.3 2,-0.6 -0.842 5.3-138.6-104.2 137.1 5.9 11.9 39.1 192 192 A T E +I 99 0B 71 -2,-0.4 -93,-0.2 -93,-0.2 -70,-0.2 -0.847 27.1 178.9 -96.5 122.2 7.5 8.4 39.5 193 193 A d E -I 98 0B 1 -95,-2.9 -95,-2.8 -2,-0.6 -73,-0.1 -0.785 38.4 -82.1-118.0 163.8 8.0 6.6 36.2 194 194 A P E > -I 97 0B 42 0, 0.0 3,-0.9 0, 0.0 -97,-0.2 -0.320 60.5 -90.6 -61.6 146.9 9.5 3.2 35.4 195 195 A G T 3 S+ 0 0 27 -99,-1.3 -98,-0.1 1,-0.2 -97,-0.1 -0.305 111.8 20.0 -58.2 144.3 13.3 3.1 35.3 196 196 A S T 3 S+ 0 0 72 1,-0.2 -1,-0.2 -99,-0.1 2,-0.1 0.814 85.3 159.9 64.4 34.6 14.6 3.8 31.8 197 197 A S < - 0 0 3 -3,-0.9 2,-0.3 -196,-0.1 -1,-0.2 -0.357 33.8-131.8 -77.1 166.8 11.5 5.5 30.5 198 198 A N - 0 0 47 -197,-0.1 -81,-2.6 -2,-0.1 -80,-0.9 -0.845 26.5-163.8-117.4 158.6 11.7 7.7 27.4 199 199 A Y E -bD 3 116A 1 -197,-2.6 -195,-2.5 -83,-0.3 2,-0.4 -0.844 20.9-143.2-140.0 174.6 10.1 11.1 27.2 200 200 A R E -bD 4 115A 103 -85,-2.7 -85,-2.4 -2,-0.3 2,-0.6 -0.994 10.3-160.0-141.0 128.7 9.0 14.1 25.1 201 201 A V E -bD 5 114A 0 -197,-2.6 -195,-3.1 -2,-0.4 2,-0.5 -0.964 13.7-167.4-110.6 121.6 9.2 17.7 26.1 202 202 A T E -bD 6 113A 7 -89,-3.0 -89,-2.1 -2,-0.6 2,-0.3 -0.945 10.2-149.4-114.9 122.3 6.8 19.9 24.2 203 203 A F E S+bD 7 112A 0 -197,-2.9 -195,-2.2 -2,-0.5 -91,-0.3 -0.714 85.5 8.6 -87.3 139.6 7.1 23.7 24.2 204 204 A a S > S+ 0 0 11 -93,-2.4 3,-1.3 -2,-0.3 -1,-0.3 0.941 77.1 175.9 55.8 54.0 3.8 25.5 23.8 205 205 A P T 3 S+ 0 0 9 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 0.811 72.3 58.3 -58.2 -33.7 1.7 22.3 24.1 206 206 A T T 3 0 0 110 1,-0.2 -2,-0.1 -79,-0.1 -3,-0.0 0.028 360.0 360.0 -89.3 30.6 -1.6 24.0 24.0 207 207 A A < 0 0 86 -3,-1.3 -1,-0.2 -4,-0.1 -4,-0.0 0.126 360.0 360.0-108.6 360.0 -0.7 25.5 20.6