==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PLANT PROTEIN 04-JAN-12 3VCE . COMPND 2 MOLECULE: THAUMATIN I; . SOURCE 2 ORGANISM_SCIENTIFIC: THAUMATOCOCCUS DANIELLII; . AUTHOR L.BELMONTE,E.PECHKOVA,D.SCUDIERI,C.NICOLINI . 207 1 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9920.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 120 58.0 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 . 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 . 14 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 7.7 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 29 0, 0.0 40,-3.3 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 144.6 -16.9 7.4 10.1 2 2 A T E -A 40 0A 47 38,-0.2 197,-2.7 195,-0.1 2,-0.4 -0.806 360.0-169.6-100.8 140.2 -15.6 9.4 13.0 3 3 A F E -Ab 39 199A 0 36,-2.0 36,-2.3 -2,-0.4 2,-0.7 -0.982 10.9-153.6-125.0 113.5 -13.9 12.8 12.5 4 4 A E E -Ab 38 200A 59 195,-2.9 197,-2.6 -2,-0.4 2,-0.6 -0.803 10.8-159.1 -86.1 125.2 -12.1 14.2 15.6 5 5 A I E -Ab 37 201A 0 32,-2.5 32,-2.7 -2,-0.7 2,-0.4 -0.924 11.2-173.2-112.1 121.3 -12.1 17.9 15.3 6 6 A V E -Ab 36 202A 17 195,-2.7 197,-2.5 -2,-0.6 2,-0.8 -0.929 18.1-149.4-122.8 126.7 -9.4 19.5 17.4 7 7 A N E + b 0 203A 0 28,-2.9 27,-3.2 -2,-0.4 197,-0.1 -0.858 25.4 163.0 -97.0 101.8 -8.8 23.2 18.0 8 8 A R + 0 0 139 195,-2.2 196,-0.2 -2,-0.8 -1,-0.1 0.411 43.5 114.1 -92.3 0.9 -5.1 23.8 18.6 9 9 A a S S- 0 0 2 194,-0.3 25,-0.2 1,-0.1 4,-0.1 -0.315 75.9-126.3 -66.8 158.3 -5.6 27.6 17.9 10 10 A S S S+ 0 0 112 23,-0.1 2,-0.3 2,-0.1 23,-0.2 0.554 93.2 62.0 -79.5 -9.5 -5.0 30.1 20.7 11 11 A Y S S- 0 0 93 21,-0.1 -2,-0.1 1,-0.0 2,-0.1 -0.792 95.2 -96.9-114.8 162.1 -8.5 31.5 20.0 12 12 A T - 0 0 45 -2,-0.3 43,-0.4 21,-0.1 2,-0.3 -0.459 40.1-173.5 -73.3 143.7 -12.0 29.9 20.2 13 13 A V E -E 31 0B 0 18,-2.0 18,-3.1 41,-0.1 2,-0.6 -0.908 23.5-133.7-129.7 163.8 -13.5 28.6 16.9 14 14 A W E -EF 30 53B 31 39,-2.1 39,-1.2 -2,-0.3 16,-0.2 -0.939 27.0-144.3-118.8 103.9 -16.9 27.3 16.1 15 15 A A E -EF 29 52B 0 14,-1.6 14,-1.6 -2,-0.6 2,-0.3 -0.322 16.9-165.5 -65.2 149.9 -16.4 24.1 14.1 16 16 A A E -EF 28 51B 0 35,-2.3 35,-2.0 12,-0.2 2,-0.3 -0.986 11.1-174.8-139.5 147.0 -19.0 23.5 11.3 17 17 A A E + F 0 50B 0 10,-2.4 7,-2.1 -2,-0.3 2,-0.3 -0.959 19.7 142.4-147.8 128.7 -19.8 20.4 9.3 18 18 A S E -EF 23 49B 0 31,-2.2 31,-2.6 -2,-0.3 5,-0.2 -0.970 45.5-143.8-159.3 156.5 -22.3 20.1 6.4 19 19 A K - 0 0 77 3,-2.3 2,-0.2 -2,-0.3 4,-0.1 0.128 63.1-100.4-115.3 15.5 -22.9 18.5 3.0 20 20 A G S S+ 0 0 18 2,-0.6 60,-0.3 29,-0.1 58,-0.1 -0.203 117.4 44.4 105.7 -42.1 -24.6 21.6 1.6 21 21 A D S S+ 0 0 102 -2,-0.2 2,-0.3 1,-0.2 58,-0.1 0.386 121.9 22.6-111.6 -1.8 -28.2 20.5 2.0 22 22 A A S S- 0 0 34 5,-0.0 -3,-2.3 55,-0.0 -2,-0.6 -0.987 80.1-100.6-158.8 154.9 -27.9 19.1 5.5 23 23 A A E -E 18 0B 37 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.3 -0.470 29.6-132.5 -67.5 152.0 -25.9 19.2 8.7 24 24 A L E > S- 0 0 9 -7,-2.1 3,-2.0 53,-0.3 -7,-0.1 -0.964 75.6 -33.0-102.0 129.6 -23.4 16.4 9.4 25 25 A D E 3 S- 0 0 76 -2,-0.5 -2,-0.1 1,-0.3 14,-0.1 -0.353 134.9 -19.9 55.3-139.6 -23.9 15.2 13.0 26 26 A A E 3 S- 0 0 30 1,-0.1 -1,-0.3 -3,-0.1 -3,-0.1 0.645 89.5-134.6 -71.7 -10.9 -25.0 18.2 15.1 27 27 A G E < S+ 0 0 0 -3,-2.0 -10,-2.4 49,-0.1 50,-0.6 0.125 70.6 20.0 84.4 -21.8 -23.5 20.4 12.3 28 28 A G E +E 16 0B 4 -12,-0.3 2,-0.3 48,-0.2 -12,-0.2 -0.950 55.8 168.5-175.1 151.3 -21.7 22.9 14.6 29 29 A R E -E 15 0B 86 -14,-1.6 -14,-1.6 -2,-0.3 2,-0.2 -0.908 38.6-100.4-168.5 147.1 -20.2 23.4 18.1 30 30 A Q E -E 14 0B 85 -2,-0.3 2,-0.4 -16,-0.2 -16,-0.2 -0.535 31.9-167.8 -67.2 134.1 -18.0 25.8 20.0 31 31 A L E -E 13 0B 0 -18,-3.1 -18,-2.0 -2,-0.2 3,-0.1 -0.912 6.4-156.7-124.2 105.0 -14.4 24.6 20.4 32 32 A N > - 0 0 63 -2,-0.4 3,-2.4 -20,-0.2 -25,-0.3 -0.245 50.9 -60.4 -67.4 171.9 -12.3 26.6 22.9 33 33 A S T 3 S+ 0 0 69 1,-0.3 -25,-0.2 -23,-0.2 -1,-0.2 -0.324 128.4 10.1 -56.1 117.4 -8.5 26.5 22.6 34 34 A G T 3 S+ 0 0 52 -27,-3.2 -1,-0.3 1,-0.3 -26,-0.1 0.172 95.0 132.6 99.3 -19.9 -7.5 22.9 23.0 35 35 A E < - 0 0 72 -3,-2.4 -28,-2.9 -28,-0.1 2,-0.4 -0.384 40.4-152.8 -72.6 158.0 -10.9 21.3 22.9 36 36 A S E -A 6 0A 54 -30,-0.2 2,-0.4 -2,-0.1 -30,-0.2 -0.962 7.6-170.8-127.9 139.5 -11.8 18.2 20.7 37 37 A W E -A 5 0A 24 -32,-2.7 -32,-2.5 -2,-0.4 2,-0.5 -0.992 10.2-154.0-134.8 118.4 -15.2 17.4 19.4 38 38 A T E -A 4 0A 69 -2,-0.4 2,-0.3 -34,-0.2 -34,-0.2 -0.846 15.4-174.6-102.1 126.2 -15.8 14.0 17.7 39 39 A I E -A 3 0A 0 -36,-2.3 -36,-2.0 -2,-0.5 2,-0.5 -0.819 19.9-132.6-113.6 159.4 -18.5 13.7 15.1 40 40 A N E -A 2 0A 95 -2,-0.3 2,-0.5 -38,-0.2 -15,-0.2 -0.962 17.6-164.9-113.6 125.3 -20.0 10.8 13.2 41 41 A V - 0 0 4 -40,-3.3 4,-0.1 -2,-0.5 3,-0.1 -0.932 27.4-111.6-111.1 129.0 -20.5 11.1 9.5 42 42 A E > - 0 0 155 -2,-0.5 3,-1.5 1,-0.1 50,-0.2 -0.278 37.3-105.8 -56.3 135.1 -22.7 8.7 7.6 43 43 A P T 3 S+ 0 0 81 0, 0.0 3,-0.1 0, 0.0 50,-0.1 -0.258 107.7 35.7 -55.6 149.1 -20.9 6.3 5.2 44 44 A G T 3 S+ 0 0 39 1,-0.3 2,-0.3 -3,-0.1 49,-0.1 0.439 78.1 157.9 83.2 -2.1 -21.5 7.3 1.6 45 45 A T < - 0 0 9 -3,-1.5 47,-3.1 -4,-0.1 2,-0.4 -0.426 24.5-161.7 -57.8 119.5 -21.5 11.0 2.5 46 46 A N + 0 0 98 -2,-0.3 45,-0.2 45,-0.3 -1,-0.0 -0.906 64.1 8.1-110.7 130.1 -20.6 12.8 -0.7 47 47 A G S S+ 0 0 27 -2,-0.4 44,-0.2 1,-0.2 -1,-0.2 0.871 82.5 169.9 74.4 35.8 -19.4 16.4 -0.9 48 48 A G E - G 0 90B 0 42,-2.8 42,-2.1 -3,-0.3 2,-0.3 -0.491 12.3-166.7 -79.2 149.7 -19.0 16.8 2.9 49 49 A K E -FG 18 89B 39 -31,-2.6 -31,-2.2 40,-0.2 2,-0.4 -0.998 12.5-170.7-138.9 145.4 -17.2 19.9 4.3 50 50 A I E +FG 17 88B 0 38,-2.1 38,-2.8 -2,-0.3 2,-0.3 -0.990 20.6 155.6-130.4 141.4 -15.8 20.8 7.6 51 51 A W E -F 16 0B 0 -35,-2.0 -35,-2.3 -2,-0.4 2,-0.4 -0.947 35.7-110.2-154.6 171.1 -14.5 24.3 8.5 52 52 A A E -F 15 0B 1 34,-0.5 2,-0.4 -2,-0.3 -37,-0.2 -0.865 20.9-155.1-106.3 147.5 -13.9 26.7 11.3 53 53 A R E -F 14 0B 0 -39,-1.2 -39,-2.1 -2,-0.4 2,-0.3 -0.944 11.5-149.8-119.4 145.1 -15.8 29.9 12.0 54 54 A T E +K 68 0C 15 14,-0.7 13,-2.0 -2,-0.4 14,-0.9 -0.835 62.4 7.2-116.9 154.7 -14.3 32.9 13.9 55 55 A D E S+ 0 0 92 -43,-0.4 12,-0.5 -2,-0.3 2,-0.3 0.933 79.6 169.5 43.9 65.4 -15.7 35.7 16.2 56 56 A b E -K 66 0C 5 10,-0.2 2,-0.4 -3,-0.2 10,-0.2 -0.679 25.4-164.3-102.7 152.8 -19.2 34.3 16.6 57 57 A Y E +K 65 0C 170 8,-2.1 8,-2.2 -2,-0.3 2,-0.4 -0.977 12.2 179.3-134.5 123.8 -22.0 35.3 18.9 58 58 A F E -K 64 0C 46 -2,-0.4 6,-0.2 6,-0.2 2,-0.1 -0.955 17.8-139.9-119.2 146.5 -25.0 33.0 19.4 59 59 A D > - 0 0 91 4,-2.3 3,-1.6 -2,-0.4 5,-0.0 -0.283 45.5 -79.3 -86.1-175.6 -28.0 33.6 21.6 60 60 A D T 3 S+ 0 0 178 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.686 130.7 51.9 -60.6 -25.3 -29.7 30.9 23.7 61 61 A S T 3 S- 0 0 95 2,-0.2 -1,-0.3 14,-0.0 14,-0.1 0.491 121.7-104.0 -88.6 -6.7 -31.6 29.4 20.8 62 62 A G S < S+ 0 0 15 -3,-1.6 13,-2.1 1,-0.3 2,-0.4 0.810 78.9 127.8 86.5 32.9 -28.4 29.1 18.7 63 63 A S B +L 74 0D 54 11,-0.2 -4,-2.3 12,-0.1 -1,-0.3 -0.970 27.6 91.5-118.8 137.1 -28.9 32.1 16.3 64 64 A G E -K 58 0C 33 9,-2.8 2,-0.3 -2,-0.4 -6,-0.2 -0.803 62.8 -72.4 178.9-136.9 -26.3 34.8 15.8 65 65 A I E -K 57 0C 105 -8,-2.2 -8,-2.1 -2,-0.2 2,-0.3 -0.995 19.4-155.2-156.7 149.2 -23.5 35.6 13.5 66 66 A b E -K 56 0C 8 -2,-0.3 4,-0.4 -10,-0.2 -10,-0.2 -0.962 20.4-138.0-127.9 142.2 -19.8 34.7 12.7 67 67 A K E S+ 0 0 123 -13,-2.0 2,-0.3 -12,-0.5 -12,-0.2 0.706 94.5 20.6 -73.1 -22.7 -17.2 37.0 11.1 68 68 A T E S+K 54 0C 2 -14,-0.9 -14,-0.7 -3,-0.0 -1,-0.2 -0.985 128.8 14.2-140.0 142.3 -16.0 34.2 8.8 69 69 A G S S+ 0 0 0 13,-2.5 -2,-0.1 -2,-0.3 -16,-0.1 0.507 72.2 171.2 79.1 6.5 -17.8 31.0 7.8 70 70 A D - 0 0 27 -4,-0.4 12,-1.9 11,-0.3 2,-0.8 -0.237 21.5-157.1 -55.7 130.7 -21.3 32.0 8.9 71 71 A c S > S- 0 0 3 3,-0.4 3,-1.7 10,-0.2 7,-0.2 -0.831 70.8 -53.3-113.5 84.9 -23.8 29.4 7.7 72 72 A G T 3 S- 0 0 74 -2,-0.8 -2,-0.1 1,-0.3 -1,-0.1 0.750 99.6 -64.5 50.9 34.1 -27.0 31.5 7.7 73 73 A G T 3 S+ 0 0 9 1,-0.2 -9,-2.8 -10,-0.1 2,-0.3 0.564 99.9 131.7 72.6 10.7 -26.6 32.6 11.4 74 74 A L B < -L 63 0D 48 -3,-1.7 -3,-0.4 -11,-0.2 -11,-0.2 -0.732 53.6-151.8 -98.0 146.5 -26.9 29.1 12.9 75 75 A L S S+ 0 0 49 -13,-2.1 2,-1.2 -2,-0.3 -1,-0.1 0.922 99.4 54.1 -70.8 -45.5 -24.7 27.4 15.6 76 76 A R S S- 0 0 156 -14,-0.4 -1,-0.3 -3,-0.1 -48,-0.2 -0.718 95.4-142.4 -95.6 91.1 -25.7 24.1 14.1 77 77 A c + 0 0 0 -2,-1.2 -53,-0.3 -50,-0.6 -60,-0.2 -0.260 31.6 169.0 -63.2 136.0 -24.8 24.5 10.4 78 78 A K S S+ 0 0 125 -7,-0.2 2,-0.3 -55,-0.1 -59,-0.3 0.429 70.9 33.1-113.3 -18.2 -27.1 23.0 7.8 79 79 A R S S- 0 0 151 -58,-0.1 -58,-0.1 -8,-0.1 -62,-0.1 -0.830 100.0 -71.0-131.5 176.4 -25.5 24.7 4.7 80 80 A F - 0 0 82 -60,-0.3 -8,-0.2 -2,-0.3 2,-0.1 -0.180 54.9-107.2 -70.0 158.8 -22.1 25.8 3.7 81 81 A G - 0 0 14 -10,-0.1 -11,-0.3 1,-0.1 -10,-0.2 -0.430 31.1 -95.2 -93.3 163.4 -20.4 28.8 5.4 82 82 A R - 0 0 172 -12,-1.9 -13,-2.5 -2,-0.1 -12,-0.2 -0.577 63.6 -76.9 -77.3 128.2 -19.8 32.4 4.1 83 83 A P S S+ 0 0 26 0, 0.0 24,-0.1 0, 0.0 63,-0.1 -0.249 101.7 69.7 -60.2 156.6 -16.3 32.9 2.7 84 84 A P S S+ 0 0 4 0, 0.0 2,-0.3 0, 0.0 23,-0.3 0.380 72.0 139.8 -82.6 140.9 -13.5 33.2 3.6 85 85 A T - 0 0 2 21,-1.6 21,-0.4 60,-0.1 2,-0.3 -0.914 48.5-138.2-150.6 117.2 -13.3 29.6 4.8 86 86 A T - 0 0 0 -2,-0.3 -34,-0.5 -34,-0.2 2,-0.4 -0.614 38.1-145.0 -65.6 136.4 -10.4 27.1 4.6 87 87 A L E - H 0 103B 8 16,-2.2 16,-2.2 -2,-0.3 2,-0.6 -0.953 23.9-158.6-120.8 125.0 -12.2 23.9 3.7 88 88 A A E -GH 50 102B 0 -38,-2.8 -38,-2.1 -2,-0.4 2,-0.4 -0.899 31.0-168.8 -86.4 121.1 -11.7 20.2 4.7 89 89 A E E +GH 49 101B 27 12,-2.9 12,-1.6 -2,-0.6 2,-0.3 -0.885 12.0 164.8-123.5 142.6 -13.5 18.3 1.9 90 90 A F E -GH 48 100B 3 -42,-2.1 -42,-2.8 -2,-0.4 2,-0.4 -0.995 27.1-164.3-160.5 147.7 -14.4 14.7 1.6 91 91 A S E - H 0 99B 26 8,-2.0 8,-3.0 -2,-0.3 2,-0.3 -0.993 27.3-151.9-133.8 124.1 -16.5 12.1 -0.1 92 92 A L E + 0 0 0 -47,-3.1 6,-0.2 -2,-0.4 103,-0.1 -0.788 63.4 4.0-109.4 142.8 -16.7 8.8 1.6 93 93 A N E S+ 0 0 47 -2,-0.3 2,-0.8 1,-0.2 -1,-0.2 0.951 71.1 166.8 55.1 55.9 -17.3 5.2 0.3 94 94 A Q E > S- H 0 97B 50 3,-3.7 3,-1.3 -3,-0.3 -1,-0.2 -0.919 79.6 -31.0-103.8 103.8 -17.2 6.2 -3.4 95 95 A Y T 3 S- 0 0 237 -2,-0.8 -1,-0.2 1,-0.3 3,-0.1 0.871 130.4 -40.6 48.2 45.5 -16.9 2.9 -5.2 96 96 A G T 3 S+ 0 0 54 1,-0.2 99,-1.5 98,-0.1 2,-0.3 0.375 124.0 82.1 96.2 -4.1 -14.9 1.4 -2.3 97 97 A K E < -HI 94 194B 86 -3,-1.3 -3,-3.7 97,-0.2 2,-0.4 -0.905 64.8-130.2-135.8 158.9 -12.7 4.5 -1.4 98 98 A D E - I 0 193B 0 95,-3.1 95,-3.1 -2,-0.3 2,-0.4 -0.847 18.0-153.7-104.5 147.7 -12.6 7.7 0.4 99 99 A Y E +HI 91 192B 85 -8,-3.0 -8,-2.0 -2,-0.4 2,-0.3 -0.988 16.6 175.6-123.9 127.5 -11.5 11.0 -1.1 100 100 A I E +HI 90 191B 0 91,-2.6 91,-3.4 -2,-0.4 2,-0.3 -0.926 7.8 146.8-128.9 153.7 -10.1 13.9 1.0 101 101 A D E -H 89 0B 18 -12,-1.6 -12,-2.9 -2,-0.3 2,-0.4 -0.955 37.3-121.4-167.3 165.2 -8.5 17.3 0.2 102 102 A I E -H 88 0B 0 77,-0.5 79,-2.1 -2,-0.3 2,-0.4 -0.957 29.8-158.5-115.2 141.8 -8.2 20.9 1.5 103 103 A S E -Hj 87 181B 1 -16,-2.2 -16,-2.2 -2,-0.4 79,-0.2 -0.988 29.1-178.5-130.3 137.5 -9.4 23.8 -0.6 104 104 A N > + 0 0 0 77,-3.1 3,-2.1 -2,-0.4 78,-0.1 0.114 61.3 107.6-103.3 11.0 -8.7 27.5 -0.7 105 105 A I T 3 S+ 0 0 42 1,-0.3 44,-0.3 76,-0.2 79,-0.1 0.736 85.8 41.7 -66.5 -27.2 -11.2 28.0 -3.5 106 106 A K T 3 S- 0 0 93 1,-0.5 -21,-1.6 -21,-0.4 -1,-0.3 -0.034 126.5-100.2-105.4 22.2 -13.5 29.8 -1.0 107 107 A G < - 0 0 0 -3,-2.1 -1,-0.5 -23,-0.3 2,-0.4 -0.272 38.8 -83.5 91.5-171.5 -10.6 31.7 0.6 108 108 A F B +M 145 0E 3 37,-2.5 37,-3.2 -22,-0.1 -4,-0.1 -0.994 44.2 152.7-138.8 134.6 -8.7 31.0 3.9 109 109 A N S S+ 0 0 12 1,-0.4 35,-0.2 -2,-0.4 -1,-0.1 0.609 70.8 21.5-124.8 -39.6 -9.5 31.9 7.5 110 110 A V S S- 0 0 0 -58,-0.1 -1,-0.4 20,-0.0 -58,-0.1 -0.987 79.4-109.8-138.5 137.2 -7.8 29.4 9.7 111 111 A P - 0 0 24 0, 0.0 93,-1.9 0, 0.0 2,-0.3 -0.305 43.1-169.5 -67.5 157.8 -4.9 27.0 9.2 112 112 A M E -CD 126 203A 1 14,-2.5 14,-2.9 91,-0.3 2,-0.4 -1.000 28.0-161.6-155.5 139.9 -5.8 23.4 9.0 113 113 A D E -CD 125 202A 16 89,-2.4 89,-2.7 -2,-0.3 2,-0.5 -0.993 12.0-169.4-119.5 133.7 -4.5 19.8 8.9 114 114 A F E +CD 124 201A 0 10,-3.0 10,-2.4 -2,-0.4 87,-0.2 -0.935 22.2 159.7-125.8 103.4 -6.8 17.0 7.6 115 115 A S E - D 0 200A 31 85,-2.3 85,-3.0 -2,-0.5 2,-0.2 -0.923 40.5-114.7-129.9 146.7 -5.4 13.5 8.3 116 116 A P E - D 0 199A 22 0, 0.0 83,-0.3 0, 0.0 7,-0.1 -0.511 12.7-158.1 -72.9 149.2 -6.6 9.9 8.5 117 117 A T S S+ 0 0 64 81,-2.5 2,-0.2 -2,-0.2 82,-0.2 0.387 77.6 64.1 -99.2 -0.6 -6.4 8.3 11.9 118 118 A T S S- 0 0 58 80,-0.9 3,-0.3 1,-0.2 79,-0.1 -0.671 95.4 -78.3-118.2 171.8 -6.5 4.9 10.3 119 119 A R S S+ 0 0 193 -2,-0.2 -1,-0.2 1,-0.2 -2,-0.1 -0.100 87.4 46.1 -70.5 163.4 -4.0 3.2 8.0 120 120 A G S S+ 0 0 47 1,-0.2 2,-0.3 73,-0.1 -1,-0.2 0.577 92.5 47.5 99.0 15.3 -3.2 3.5 4.3 121 121 A d S S- 0 0 39 -3,-0.3 2,-0.2 72,-0.1 -1,-0.2 -0.945 70.4-109.8-165.2 176.4 -3.0 7.1 3.1 122 122 A R - 0 0 164 -2,-0.3 2,-0.2 70,-0.2 69,-0.0 -0.620 28.1-118.3-109.7 169.6 -1.4 10.4 4.0 123 123 A G - 0 0 28 -2,-0.2 2,-0.3 -8,-0.1 -8,-0.3 -0.543 19.2-131.1 -97.7 174.6 -2.9 13.6 5.3 124 124 A V E -C 114 0A 6 -10,-2.4 -10,-3.0 -2,-0.2 2,-0.4 -0.903 19.0-164.7-127.3 158.6 -3.0 17.1 3.8 125 125 A R E +C 113 0A 110 -2,-0.3 54,-0.3 -12,-0.2 2,-0.3 -1.000 24.1 179.3-151.3 134.4 -2.2 20.5 5.3 126 126 A e E +C 112 0A 1 -14,-2.9 -14,-2.5 -2,-0.4 51,-0.1 -0.821 34.7 138.7-132.0 90.3 -2.6 24.2 4.7 127 127 A A + 0 0 24 -2,-0.3 79,-0.1 -16,-0.3 50,-0.1 0.268 27.0 121.4-120.4 4.7 -0.9 25.8 7.7 128 128 A A S S- 0 0 33 48,-0.1 2,-2.2 1,-0.1 3,-0.3 -0.302 78.2-100.1 -64.5 159.3 0.9 28.7 6.2 129 129 A D > + 0 0 102 1,-0.2 4,-1.8 2,-0.1 5,-0.2 -0.364 59.9 154.6 -79.8 64.8 0.2 32.3 7.4 130 130 A I H > + 0 0 0 -2,-2.2 4,-0.7 1,-0.2 -1,-0.2 0.857 67.1 56.5 -65.0 -35.5 -2.1 33.1 4.5 131 131 A V H >4 S+ 0 0 53 -3,-0.3 3,-0.8 1,-0.2 -1,-0.2 0.947 110.1 44.1 -61.1 -47.8 -4.1 35.7 6.4 132 132 A G H 34 S+ 0 0 46 1,-0.2 -1,-0.2 13,-0.0 -2,-0.2 0.805 120.7 40.3 -69.1 -30.0 -0.9 37.8 7.3 133 133 A Q H 3< S+ 0 0 124 -4,-1.8 -1,-0.2 2,-0.0 -2,-0.2 0.402 85.4 138.2 -93.4 1.1 0.6 37.5 3.8 134 134 A f << - 0 0 6 -3,-0.8 5,-0.1 -4,-0.7 -3,-0.1 -0.155 62.2-106.2 -53.1 134.5 -2.8 38.0 2.0 135 135 A P >> - 0 0 37 0, 0.0 3,-1.9 0, 0.0 4,-0.9 -0.364 33.6-110.6 -60.3 143.3 -2.7 40.4 -1.1 136 136 A A G >4 S+ 0 0 82 1,-0.3 3,-0.8 2,-0.2 -2,-0.1 0.808 115.0 50.0 -39.3 -47.3 -4.3 43.8 -0.4 137 137 A K G 34 S+ 0 0 144 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.632 110.3 50.7 -80.7 -11.3 -7.3 43.3 -2.6 138 138 A L G <4 S+ 0 0 0 -3,-1.9 8,-2.5 2,-0.1 -1,-0.3 0.561 78.5 116.8 -95.9 -13.6 -8.1 39.9 -1.1 139 139 A K B << -N 145 0E 109 -4,-0.9 6,-0.2 -3,-0.8 3,-0.1 -0.360 62.0-137.9 -60.5 130.6 -8.1 40.9 2.6 140 140 A A > - 0 0 16 4,-2.3 3,-2.2 1,-0.2 -1,-0.1 -0.837 0.7-147.8 -92.2 123.1 -11.5 40.5 4.1 141 141 A P T 3 S+ 0 0 140 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.905 101.4 56.3 -58.5 -36.1 -12.4 43.4 6.3 142 142 A G T 3 S- 0 0 40 1,-0.2 2,-0.1 -3,-0.1 -3,-0.0 0.450 130.8 -77.6 -69.2 -1.2 -14.3 41.0 8.5 143 143 A G S < S+ 0 0 31 -3,-2.2 -1,-0.2 1,-0.3 -89,-0.1 -0.120 89.9 44.4 110.0 147.3 -11.2 38.8 9.0 144 144 A G S S- 0 0 12 -35,-0.2 -4,-2.3 -3,-0.1 2,-0.4 -0.206 84.3 -66.8 82.5-174.0 -9.4 36.2 6.7 145 145 A f B -MN 108 139E 0 -37,-3.2 -37,-2.5 -6,-0.2 -6,-0.2 -0.951 43.1-143.7-126.4 110.1 -8.4 36.1 3.0 146 146 A N - 0 0 21 -8,-2.5 -39,-0.2 -2,-0.4 2,-0.1 -0.338 17.2-119.2 -67.4 146.7 -11.0 35.9 0.2 147 147 A D > - 0 0 8 1,-0.1 4,-1.4 -42,-0.1 5,-0.1 -0.436 31.9-110.2 -74.6 164.5 -10.6 34.0 -3.0 148 148 A A H > S+ 0 0 9 2,-0.2 4,-2.6 1,-0.2 5,-0.4 0.764 115.2 60.3 -75.7 -24.4 -10.7 36.1 -6.1 149 149 A g H > S+ 0 0 23 8,-0.4 4,-2.6 -44,-0.3 -1,-0.2 0.971 105.7 48.7 -63.4 -51.9 -14.1 34.7 -7.3 150 150 A T H 4 S+ 0 0 48 1,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.868 118.8 40.3 -53.7 -39.6 -15.7 36.1 -4.1 151 151 A V H < S+ 0 0 52 -4,-1.4 -1,-0.2 1,-0.1 -2,-0.2 0.889 130.7 19.9 -81.0 -38.5 -14.0 39.5 -4.6 152 152 A F H < S- 0 0 77 -4,-2.6 -3,-0.2 -5,-0.1 -2,-0.2 0.653 78.3-147.0-115.5 -17.5 -14.4 40.0 -8.3 153 153 A Q < + 0 0 146 -4,-2.6 2,-0.3 -5,-0.4 -4,-0.1 0.858 43.3 149.3 55.2 41.7 -17.2 37.8 -9.6 154 154 A T > - 0 0 58 -6,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.722 59.2-119.7-101.6 160.1 -15.6 37.1 -13.1 155 155 A S H >>S+ 0 0 69 -2,-0.3 4,-1.6 1,-0.2 5,-1.0 0.842 114.2 55.2 -58.1 -36.5 -15.9 34.0 -15.3 156 156 A E H 45S+ 0 0 95 2,-0.2 -1,-0.2 1,-0.2 -7,-0.1 0.940 114.0 37.1 -64.8 -49.1 -12.1 33.6 -15.1 157 157 A Y H 45S+ 0 0 68 1,-0.2 -8,-0.4 -9,-0.1 27,-0.3 0.843 123.3 42.2 -73.8 -35.3 -11.9 33.5 -11.3 158 158 A g H <5S- 0 0 34 -4,-2.2 -1,-0.2 -9,-0.2 -2,-0.2 0.604 98.0-135.4 -87.6 -17.3 -15.2 31.5 -10.7 159 159 A h T ><5 + 0 0 13 -4,-1.6 3,-0.5 -5,-0.2 -3,-0.2 0.866 45.1 159.9 62.8 44.0 -14.5 29.1 -13.6 160 160 A T T 3 < + 0 0 103 -5,-1.0 -4,-0.1 1,-0.2 -5,-0.1 0.873 68.9 43.0 -63.6 -46.8 -18.1 29.5 -14.7 161 161 A T T 3 S- 0 0 106 -6,-0.3 -1,-0.2 1,-0.0 -5,-0.1 0.520 112.5-115.6 -81.5 -9.3 -17.6 28.2 -18.3 162 162 A G S < S+ 0 0 41 -3,-0.5 -2,-0.1 -7,-0.2 -1,-0.0 0.509 94.4 93.3 84.6 7.2 -15.4 25.4 -17.1 163 163 A K + 0 0 189 -8,-0.1 -7,-0.1 2,-0.0 -3,-0.0 0.535 48.9 132.0-116.3 1.4 -12.4 26.7 -19.0 164 164 A h - 0 0 11 -9,-0.3 -8,-0.1 1,-0.1 -7,-0.1 0.158 36.4-151.4 -47.7 158.7 -10.3 29.0 -16.6 165 165 A G - 0 0 21 1,-0.2 19,-0.1 -9,-0.1 21,-0.1 -0.715 37.0 -68.7-121.6 177.2 -6.6 29.0 -15.9 166 166 A P - 0 0 62 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.230 52.0-159.8 -69.2 156.8 -4.4 29.9 -12.9 167 167 A T > - 0 0 17 1,-0.1 4,-2.9 -10,-0.1 5,-0.2 -0.847 35.8 -98.6-132.3 165.7 -4.3 33.5 -12.0 168 168 A E H > S+ 0 0 164 -2,-0.3 4,-0.8 2,-0.2 -1,-0.1 0.894 126.7 46.4 -50.8 -44.0 -2.0 35.9 -10.0 169 169 A Y H >> S+ 0 0 32 2,-0.2 4,-1.5 1,-0.2 3,-1.1 0.956 111.8 47.7 -67.6 -52.4 -4.5 35.4 -7.1 170 170 A S H 3> S+ 0 0 6 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.900 107.8 59.1 -58.1 -33.3 -4.8 31.6 -7.3 171 171 A R H 3X S+ 0 0 143 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.759 99.2 56.4 -70.0 -22.4 -0.9 31.5 -7.5 172 172 A F H < + 0 0 4 -4,-3.2 3,-1.4 -5,-0.3 -1,-0.3 -0.790 63.2 175.0-136.0 88.2 -0.1 26.1 0.3 178 178 A P T 3 S+ 0 0 78 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.753 79.9 60.2 -68.1 -21.5 0.9 23.9 -2.5 179 179 A D T 3 S+ 0 0 93 -54,-0.3 -77,-0.5 2,-0.1 2,-0.3 0.229 94.7 70.6 -95.1 14.6 -1.2 21.0 -1.1 180 180 A A S < S- 0 0 0 -3,-1.4 -77,-0.3 -7,-0.1 2,-0.2 -0.942 93.9 -94.4-123.8 151.4 -4.6 22.7 -1.2 181 181 A F B -j 103 0B 22 -79,-2.1 -77,-3.1 -2,-0.3 -76,-0.2 -0.456 35.2-177.2 -58.5 129.2 -6.8 23.6 -4.2 182 182 A S + 0 0 11 1,-0.3 2,-0.3 -2,-0.2 -1,-0.1 0.636 67.9 5.5-104.0 -22.8 -6.1 27.2 -5.2 183 183 A Y S > S- 0 0 41 -36,-0.1 3,-1.6 1,-0.1 -1,-0.3 -0.941 86.5 -92.0-154.3 168.6 -8.7 27.5 -8.1 184 184 A V T 3 S+ 0 0 68 -27,-0.3 -1,-0.1 -2,-0.3 -26,-0.0 0.881 122.9 36.1 -56.9 -39.3 -11.4 25.2 -9.6 185 185 A L T 3 S+ 0 0 83 -20,-0.1 -1,-0.3 -3,-0.0 -26,-0.0 0.162 84.0 140.5-106.3 15.5 -9.3 23.5 -12.2 186 186 A D S < S- 0 0 16 -3,-1.6 3,-0.1 1,-0.1 -5,-0.1 -0.168 72.2 -86.2 -47.8 147.0 -6.1 23.3 -10.2 187 187 A K - 0 0 170 1,-0.1 -1,-0.1 2,-0.1 -4,-0.1 -0.481 64.4 -98.5 -57.6 124.3 -4.1 20.1 -10.6 188 188 A P - 0 0 96 0, 0.0 -1,-0.1 0, 0.0 -8,-0.0 -0.080 38.1-177.2 -57.9 139.7 -5.9 17.9 -8.0 189 189 A T + 0 0 23 -87,-0.1 2,-0.2 -3,-0.1 -87,-0.2 -0.044 38.1 140.2-117.0 25.1 -4.3 17.4 -4.6 190 190 A T - 0 0 48 -89,-0.1 2,-0.4 -10,-0.0 -89,-0.2 -0.500 44.5-141.5 -68.5 136.2 -7.0 15.0 -3.6 191 191 A V E -I 100 0B 1 -91,-3.4 -91,-2.6 -2,-0.2 2,-0.5 -0.879 5.6-139.3-104.6 132.9 -5.8 12.0 -1.5 192 192 A T E +I 99 0B 77 -2,-0.4 -93,-0.2 -93,-0.2 -70,-0.2 -0.818 27.9 179.8 -89.1 120.5 -7.4 8.5 -2.1 193 193 A d E -I 98 0B 1 -95,-3.1 -95,-3.1 -2,-0.5 -72,-0.1 -0.876 38.0 -82.8-117.9 157.8 -8.0 6.6 1.3 194 194 A P E > -I 97 0B 16 0, 0.0 3,-1.0 0, 0.0 -97,-0.2 -0.305 60.7 -91.7 -53.6 139.2 -9.4 3.2 2.1 195 195 A G T 3 S+ 0 0 26 -99,-1.5 -97,-0.1 1,-0.2 -98,-0.1 -0.176 112.0 20.6 -47.2 138.7 -13.2 3.2 2.2 196 196 A S T 3 S+ 0 0 77 1,-0.1 -1,-0.2 -99,-0.1 -104,-0.0 0.812 85.6 159.7 64.6 29.5 -14.5 3.9 5.7 197 197 A S < - 0 0 3 -3,-1.0 2,-0.3 -4,-0.1 -1,-0.1 -0.326 35.0-128.4 -66.3 162.5 -11.3 5.5 7.0 198 198 A N - 0 0 48 -197,-0.1 -81,-2.5 -2,-0.0 -80,-0.9 -0.836 27.1-157.8-111.3 163.6 -11.5 7.7 10.1 199 199 A Y E -bD 3 116A 2 -197,-2.7 -195,-2.9 -83,-0.3 2,-0.4 -0.917 19.9-148.1-142.7 157.0 -10.1 11.3 10.3 200 200 A R E -bD 4 115A 100 -85,-3.0 -85,-2.3 -2,-0.3 2,-0.6 -0.996 10.4-162.5-123.8 128.4 -8.8 14.1 12.4 201 201 A V E -bD 5 114A 0 -197,-2.6 -195,-2.7 -2,-0.4 2,-0.6 -0.952 13.6-169.5-106.0 118.5 -9.3 17.8 11.5 202 202 A T E -bD 6 113A 7 -89,-2.7 -89,-2.4 -2,-0.6 2,-0.3 -0.939 12.0-148.8-111.6 122.4 -6.9 20.0 13.4 203 203 A F E S+bD 7 112A 0 -197,-2.5 -195,-2.2 -2,-0.6 -194,-0.3 -0.684 85.5 6.2 -83.3 138.4 -7.2 23.8 13.4 204 204 A a S S+ 0 0 16 -93,-1.9 -1,-0.2 -2,-0.3 -92,-0.1 0.936 76.2 179.8 51.6 55.0 -3.8 25.6 13.8 205 205 A P + 0 0 10 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.693 61.0 48.4 -58.0 -24.0 -1.7 22.3 13.6 206 206 A T 0 0 63 1,-0.1 -198,-0.0 -79,-0.1 0, 0.0 -0.797 360.0 360.0-115.8 156.6 1.6 24.1 14.0 207 207 A A 0 0 175 -2,-0.3 -1,-0.1 -198,-0.0 0, 0.0 0.978 360.0 360.0 -61.8 360.0 3.0 26.8 16.4