==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE(INTRAMOLECULAR OXIDOREDUCTASE)20-APR-95 1TTJ . COMPND 2 MOLECULE: TRIOSEPHOSPHATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA BRUCEI BRUCEI; . AUTHOR K.V.RADHA KISHAN,R.K.WIERENGA . 235 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10369.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 187 79.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 16.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 21 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 14.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 83 35.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.7 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 0 2 2 1 0 1 2 0 0 2 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 1 2 3 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 . 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 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 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 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 2 A S 0 0 167 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-115.6 16.4 1.9 34.7 2 3 A K - 0 0 58 1,-0.1 189,-0.1 212,-0.0 191,-0.1 -0.495 360.0-118.8 -79.0 147.5 15.8 1.4 31.0 3 4 A P - 0 0 27 0, 0.0 -1,-0.1 0, 0.0 188,-0.1 -0.219 59.1 -56.4 -73.0 171.3 14.9 4.2 28.8 4 5 A Q - 0 0 59 1,-0.1 2,-0.2 187,-0.1 26,-0.1 -0.261 65.6-126.9 -53.6 131.8 11.6 4.2 26.9 5 6 A P - 0 0 10 0, 0.0 26,-3.0 0, 0.0 2,-0.4 -0.482 15.2-143.6 -83.8 152.9 11.4 1.0 24.9 6 7 A I E -ab 31 216A 0 209,-2.1 211,-1.6 24,-0.2 2,-0.4 -0.934 10.1-167.5-120.6 143.6 10.6 0.7 21.2 7 8 A A E -ab 32 217A 0 24,-2.2 26,-2.2 -2,-0.4 2,-0.4 -0.940 21.2-171.9-126.2 99.7 8.6 -1.9 19.3 8 9 A A E -ab 33 218A 3 209,-3.1 211,-2.9 -2,-0.4 2,-0.5 -0.856 15.6-154.1-107.7 133.8 9.2 -1.5 15.6 9 10 A A E -ab 34 219A 0 24,-3.2 26,-3.5 -2,-0.4 2,-0.8 -0.883 7.1-157.5-104.2 122.2 7.5 -3.2 12.7 10 11 A N E a 35 0A 25 209,-2.7 26,-0.1 -2,-0.5 213,-0.1 -0.819 360.0 360.0-101.8 95.8 9.5 -3.5 9.5 11 12 A W 0 0 38 24,-2.5 210,-0.1 -2,-0.8 26,-0.1 -0.610 360.0 360.0 -86.7 360.0 7.1 -4.0 6.6 12 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 13 20 A S > 0 0 99 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -34.2 -4.1 -8.1 5.6 14 21 A L H > + 0 0 43 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.913 360.0 44.4 -52.6 -45.0 -2.0 -4.9 6.0 15 22 A S H > S+ 0 0 42 1,-0.2 4,-3.3 2,-0.2 -1,-0.2 0.859 110.2 56.7 -66.6 -36.0 -5.3 -3.0 6.7 16 23 A E H > S+ 0 0 130 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.860 108.8 46.0 -62.0 -37.6 -6.4 -5.9 9.0 17 24 A L H X S+ 0 0 6 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.922 111.2 51.2 -73.4 -41.3 -3.3 -5.4 11.0 18 25 A I H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.943 110.3 49.5 -59.3 -47.1 -3.7 -1.7 11.1 19 26 A D H X S+ 0 0 72 -4,-3.3 4,-1.5 1,-0.2 -1,-0.2 0.914 111.9 49.7 -54.7 -43.9 -7.3 -2.2 12.3 20 27 A L H X S+ 0 0 58 -4,-1.8 4,-0.6 1,-0.2 -1,-0.2 0.838 111.2 48.2 -64.5 -39.0 -5.9 -4.6 14.9 21 28 A F H >< S+ 0 0 0 -4,-2.4 3,-1.1 1,-0.2 -1,-0.2 0.936 109.3 53.1 -67.9 -46.2 -3.3 -2.1 16.0 22 29 A N H 3< S+ 0 0 46 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.770 110.6 47.0 -57.7 -34.1 -5.9 0.7 16.2 23 30 A S H 3< S+ 0 0 106 -4,-1.5 2,-0.4 -5,-0.2 -1,-0.3 0.545 93.1 106.4 -84.1 -12.7 -8.2 -1.4 18.5 24 31 A T << - 0 0 19 -3,-1.1 2,-0.5 -4,-0.6 -3,-0.0 -0.606 62.0-145.5 -81.0 125.6 -5.2 -2.4 20.7 25 32 A S - 0 0 76 -2,-0.4 2,-0.6 25,-0.0 -2,-0.1 -0.737 13.7-172.3 -90.0 124.4 -4.8 -0.9 24.1 26 33 A I + 0 0 13 -2,-0.5 4,-0.1 1,-0.1 26,-0.0 -0.966 5.5 179.4-115.9 122.1 -1.3 -0.3 25.2 27 34 A N + 0 0 136 -2,-0.6 2,-0.2 2,-0.1 -1,-0.1 0.612 52.6 69.2-104.8 -5.7 -0.9 0.7 28.7 28 35 A H S S- 0 0 31 1,-0.1 2,-1.3 2,-0.0 208,-0.1 -0.632 94.0 -84.8-106.2 172.5 2.7 1.1 29.3 29 36 A D S S+ 0 0 106 -2,-0.2 2,-0.4 206,-0.1 -2,-0.1 -0.550 71.3 137.2 -74.7 93.8 5.3 3.6 28.1 30 37 A V - 0 0 2 -2,-1.3 2,-0.6 -26,-0.1 -24,-0.2 -1.000 47.9-137.1-141.6 143.4 6.4 2.2 24.9 31 38 A Q E -a 6 0A 39 -26,-3.0 -24,-2.2 -2,-0.4 2,-0.3 -0.897 22.3-161.4-101.4 117.5 7.0 3.8 21.5 32 39 A C E -ac 7 53A 0 20,-2.5 22,-1.3 -2,-0.6 2,-0.4 -0.762 7.5-170.4 -98.7 144.1 5.6 1.8 18.6 33 40 A V E -ac 8 54A 2 -26,-2.2 -24,-3.2 -2,-0.3 2,-0.5 -0.995 16.6-161.9-136.2 142.6 6.8 2.2 15.1 34 41 A V E -ac 9 55A 0 20,-2.6 22,-2.8 -2,-0.4 2,-0.5 -0.943 12.9-163.7-122.6 107.7 5.7 1.0 11.7 35 42 A A E +ac 10 56A 3 -26,-3.5 -24,-2.5 -2,-0.5 2,-0.3 -0.784 19.6 177.5 -91.9 127.4 8.4 1.3 8.9 36 43 A S E - c 0 57A 1 20,-2.6 22,-0.8 -2,-0.5 2,-0.1 -0.882 33.5-106.0-132.1 167.2 7.0 1.0 5.4 37 44 A T >> - 0 0 49 -2,-0.3 3,-0.9 20,-0.1 4,-0.9 -0.465 42.7-110.9 -78.3 152.8 7.8 1.1 1.7 38 45 A S H >> S+ 0 0 108 1,-0.3 4,-0.7 2,-0.2 3,-0.7 0.845 116.5 70.8 -54.6 -32.5 6.7 4.2 -0.1 39 46 A S H 34 S+ 0 0 91 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.903 113.3 23.4 -48.5 -50.8 4.3 2.0 -1.8 40 47 A H H <> S+ 0 0 77 -3,-0.9 4,-2.4 1,-0.1 5,-0.3 0.280 95.7 102.7-102.8 6.4 2.2 1.6 1.4 41 48 A L H > S+ 0 0 53 -4,-0.3 4,-2.7 2,-0.2 3,-0.6 0.960 115.0 41.4 -53.3 -59.0 -2.1 4.0 3.4 44 51 A T H 3X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.3 -1,-0.2 0.921 109.9 62.0 -54.8 -42.3 -0.5 3.4 6.6 45 52 A K H 3< S+ 0 0 74 -4,-3.0 -1,-0.3 -5,-0.3 -2,-0.2 0.836 117.2 27.3 -52.7 -41.9 -0.2 7.1 7.0 46 53 A E H << S+ 0 0 156 -4,-2.0 -1,-0.2 -3,-0.6 -2,-0.2 0.675 121.2 49.5-102.7 -12.4 -3.9 7.5 7.0 47 54 A R H < S+ 0 0 73 -4,-2.7 2,-0.4 -5,-0.2 -3,-0.2 0.862 93.6 81.6 -87.6 -40.7 -5.2 4.2 8.3 48 55 A L < + 0 0 21 -4,-2.3 -29,-0.1 -5,-0.3 7,-0.1 -0.525 45.1 154.4 -68.6 118.5 -3.0 4.1 11.4 49 56 A S + 0 0 92 -2,-0.4 -1,-0.1 -31,-0.2 -4,-0.0 0.376 21.1 130.5-128.5 1.6 -4.4 6.3 14.2 50 57 A H > - 0 0 20 1,-0.1 3,-1.4 2,-0.1 -28,-0.1 -0.379 55.1-137.9 -63.5 133.1 -3.0 4.8 17.4 51 58 A P T 3 S+ 0 0 119 0, 0.0 -1,-0.1 0, 0.0 -29,-0.0 0.820 102.1 51.8 -60.8 -36.3 -1.5 7.4 19.7 52 59 A K T 3 S+ 0 0 55 -21,-0.1 -20,-2.5 2,-0.0 2,-0.4 0.444 97.4 87.5 -84.1 2.0 1.4 5.2 20.6 53 60 A F E < -c 32 0A 16 -3,-1.4 2,-0.3 -22,-0.1 -20,-0.2 -0.816 49.5-179.7-105.4 149.3 2.3 4.5 16.9 54 61 A V E -c 33 0A 41 -22,-1.3 -20,-2.6 -2,-0.4 2,-0.4 -0.918 23.1-125.9-135.7 151.1 4.5 6.4 14.6 55 62 A I E -c 34 0A 17 -2,-0.3 21,-0.6 -22,-0.2 20,-0.5 -0.833 22.2-164.9-106.1 149.5 5.3 5.7 11.0 56 63 A A E -cd 35 76A 0 -22,-2.8 -20,-2.6 -2,-0.4 21,-0.2 -0.964 13.9-131.2-131.9 149.1 8.8 5.4 9.6 57 64 A A E -cd 36 77A 5 19,-2.5 21,-2.4 -2,-0.4 -20,-0.1 -0.587 8.9-143.8 -93.2 161.7 10.2 5.4 6.1 58 65 A Q S S- 0 0 50 -22,-0.8 2,-0.3 1,-0.3 23,-0.2 0.747 73.0 -0.2 -96.6 -30.2 12.7 2.9 4.9 59 66 A N - 0 0 60 20,-0.1 2,-0.5 6,-0.1 -1,-0.3 -0.983 47.2-157.9-163.9 149.4 14.9 4.9 2.7 60 67 A A - 0 0 10 -2,-0.3 6,-0.1 1,-0.2 3,-0.1 -0.964 7.7-159.8-131.0 115.0 15.6 8.4 1.3 61 68 A G - 0 0 63 -2,-0.5 2,-0.2 1,-0.1 -1,-0.2 0.964 65.4 -33.7 -56.8 -55.1 17.6 8.9 -1.8 62 69 A N S > S- 0 0 90 1,-0.0 4,-2.7 39,-0.0 3,-0.3 -0.840 78.1 -58.9-152.0-169.2 18.5 12.5 -1.2 63 70 A A H > S+ 0 0 73 1,-0.3 4,-2.2 -2,-0.2 5,-0.2 0.857 127.7 50.7 -51.8 -45.7 17.8 15.9 0.1 64 71 A D H > S+ 0 0 127 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.929 111.1 49.3 -63.4 -38.9 14.8 16.3 -2.0 65 72 A A H > S+ 0 0 27 -3,-0.3 4,-1.4 1,-0.2 -2,-0.2 0.873 109.0 51.6 -66.8 -38.9 13.5 12.9 -0.8 66 80 A L H X S+ 0 0 14 -4,-2.7 4,-1.5 1,-0.2 -1,-0.2 0.876 109.8 50.7 -65.2 -36.7 14.1 13.8 2.8 67 81 A A H X S+ 0 0 48 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.900 107.4 51.7 -67.0 -45.2 12.2 17.1 2.4 68 82 A S H X S+ 0 0 65 -4,-2.1 4,-1.0 2,-0.2 -1,-0.2 0.820 105.5 56.7 -63.4 -31.2 9.2 15.4 0.8 69 83 A L H ><>S+ 0 0 21 -4,-1.4 5,-2.3 2,-0.2 3,-0.6 0.946 108.4 46.7 -62.7 -48.8 9.0 13.0 3.7 70 84 A K H ><5S+ 0 0 87 -4,-1.5 3,-2.0 1,-0.3 -2,-0.2 0.904 107.3 55.9 -58.2 -47.0 8.8 15.8 6.1 71 85 A D H 3<5S+ 0 0 144 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.803 108.6 51.0 -57.3 -26.5 6.2 17.5 4.1 72 86 A F T <<5S- 0 0 80 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.469 120.9-107.7 -90.7 -4.8 4.3 14.3 4.4 73 87 A G T < 5S+ 0 0 40 -3,-2.0 2,-0.7 -4,-0.3 -3,-0.2 0.533 71.6 138.6 91.8 4.8 4.6 14.0 8.2 74 88 A V < + 0 0 1 -5,-2.3 -1,-0.3 1,-0.2 -2,-0.2 -0.783 17.2 166.9 -89.4 118.5 7.1 11.2 8.3 75 89 A N + 0 0 58 -2,-0.7 33,-2.7 -20,-0.5 2,-0.4 0.344 51.9 69.2-111.2 2.0 9.6 11.9 11.0 76 90 A W E -de 56 108A 14 -21,-0.6 -19,-2.5 31,-0.2 2,-0.3 -0.923 55.5-172.7-123.1 152.7 11.3 8.6 11.4 77 91 A I E -de 57 109A 1 31,-2.2 33,-2.7 -2,-0.4 2,-0.5 -0.998 18.9-140.4-149.0 141.0 13.7 6.6 9.2 78 92 A V E - e 0 110A 5 -21,-2.4 2,-0.4 -2,-0.3 3,-0.2 -0.854 30.4-177.4 -98.8 119.6 15.3 3.2 9.1 79 93 A L E + e 0 111A 5 31,-3.1 33,-3.1 -2,-0.5 -20,-0.1 -0.952 52.2 19.3-127.9 144.7 18.9 3.1 7.9 80 94 A G S S+ 0 0 1 -2,-0.4 -1,-0.2 1,-0.2 5,-0.1 0.722 70.8 175.4 81.3 23.5 21.6 0.6 7.2 81 95 A H >> - 0 0 21 -23,-0.2 3,-2.5 -3,-0.2 4,-1.4 -0.364 43.9-105.7 -65.0 142.7 19.2 -2.4 7.0 82 96 A S H 3> S+ 0 0 26 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.764 117.4 53.5 -39.2 -45.6 21.0 -5.6 6.0 83 97 A E H 3> S+ 0 0 70 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.804 106.2 55.0 -68.4 -21.8 19.8 -5.7 2.5 84 98 A R H <> S+ 0 0 57 -3,-2.5 4,-1.8 2,-0.2 6,-1.6 0.932 110.0 44.5 -70.5 -44.2 21.0 -2.3 1.9 85 99 A R H < S+ 0 0 49 -4,-1.4 -2,-0.2 2,-0.2 4,-0.2 0.845 120.5 42.8 -66.9 -33.6 24.5 -3.1 3.0 86 100 A A H < S+ 0 0 63 -4,-2.1 3,-0.2 -5,-0.2 -2,-0.2 0.949 132.0 12.2 -81.1 -53.2 24.4 -6.4 1.0 87 101 A Y H < S+ 0 0 179 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.317 117.7 60.5-113.8 11.2 22.8 -5.4 -2.3 88 102 A Y S < S- 0 0 126 -4,-1.8 -1,-0.1 -5,-0.2 -3,-0.1 0.304 101.7-109.4-123.4 17.2 22.7 -1.6 -2.5 89 103 A G + 0 0 55 -4,-0.2 2,-1.2 -3,-0.2 -4,-0.2 0.628 64.3 153.7 69.1 17.6 26.4 -0.7 -2.3 90 104 A E - 0 0 14 -6,-1.6 -1,-0.2 4,-0.1 -2,-0.1 -0.640 20.6-174.9 -88.4 99.4 25.9 0.8 1.2 91 105 A T > - 0 0 68 -2,-1.2 4,-2.5 -3,-0.1 5,-0.2 -0.173 43.6 -93.2 -78.4 174.5 29.2 0.6 3.0 92 106 A N H > S+ 0 0 36 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.893 127.6 46.8 -54.3 -46.4 29.8 1.5 6.6 93 107 A E H > S+ 0 0 104 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.859 109.1 53.4 -66.3 -41.2 30.7 5.0 5.6 94 108 A I H > S+ 0 0 71 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.892 110.1 48.4 -62.7 -41.7 27.8 5.5 3.3 95 109 A V H X S+ 0 0 1 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.932 109.1 52.8 -66.0 -40.7 25.4 4.5 6.1 96 110 A A H X S+ 0 0 1 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.894 110.4 48.0 -57.1 -45.9 27.1 6.8 8.5 97 111 A D H X S+ 0 0 82 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.816 112.0 49.8 -61.6 -40.7 26.7 9.7 6.0 98 112 A K H X S+ 0 0 43 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.901 109.1 52.0 -67.5 -41.4 23.0 8.8 5.5 99 113 A V H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.937 111.8 47.0 -60.0 -46.3 22.5 8.7 9.2 100 114 A A H X S+ 0 0 25 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.891 110.0 51.5 -64.6 -40.7 24.0 12.2 9.6 101 115 A A H X S+ 0 0 47 -4,-2.0 4,-0.7 2,-0.2 -1,-0.2 0.842 110.7 49.7 -66.9 -31.3 22.0 13.7 6.7 102 116 A A H ><>S+ 0 0 2 -4,-1.9 5,-1.7 2,-0.2 3,-0.9 0.941 111.2 48.7 -71.7 -43.8 18.8 12.3 8.2 103 117 A V H ><5S+ 0 0 6 -4,-2.4 3,-2.3 1,-0.3 -2,-0.2 0.911 105.0 58.4 -58.9 -43.8 19.7 13.8 11.6 104 118 A A H 3<5S+ 0 0 87 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.749 103.5 54.7 -60.2 -24.2 20.6 17.2 10.0 105 119 A S T <<5S- 0 0 43 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.136 125.4-100.1 -95.9 18.6 17.0 17.3 8.7 106 120 A G T < 5S+ 0 0 33 -3,-2.3 2,-0.2 1,-0.2 -3,-0.2 0.800 72.2 151.4 71.3 31.3 15.5 16.7 12.1 107 121 A F < - 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0 0 10 -3,-0.7 2,-0.3 -4,-0.4 -40,-0.0 -0.786 64.2-144.1-109.2 156.7 27.6 12.7 14.9 141 155 A K >> - 0 0 146 -2,-0.3 3,-2.2 1,-0.1 4,-0.7 -0.820 38.5 -96.1-114.1 155.7 28.2 15.1 17.7 142 156 A K G >4 S+ 0 0 126 -2,-0.3 3,-0.9 1,-0.3 4,-0.2 0.798 123.9 52.6 -39.1 -44.9 27.1 14.4 21.3 143 157 A A G >4 S+ 0 0 82 1,-0.2 3,-1.4 2,-0.2 -1,-0.3 0.815 98.6 65.4 -66.2 -28.6 23.9 16.2 21.0 144 158 A D G X4 S+ 0 0 49 -3,-2.2 3,-2.7 1,-0.3 4,-0.3 0.772 81.7 78.6 -65.2 -26.1 22.9 14.2 17.9 145 159 A W G X< S+ 0 0 11 -3,-0.9 3,-0.9 -4,-0.7 -1,-0.3 0.664 77.1 72.5 -59.6 -16.1 22.7 11.0 19.8 146 160 A A G < S+ 0 0 84 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.675 99.0 48.7 -72.0 -14.5 19.4 12.1 21.1 147 161 A K G < S+ 0 0 53 -3,-2.7 -38,-3.0 -4,-0.1 2,-0.3 0.456 97.3 90.1-103.2 -0.8 18.0 11.4 17.7 148 162 A V E < -f 109 0A 6 -3,-0.9 45,-0.4 -4,-0.3 2,-0.4 -0.734 46.9-173.2-103.8 145.4 19.6 7.9 17.2 149 163 A V E -f 110 0A 1 -40,-2.2 -38,-2.4 -2,-0.3 2,-0.6 -0.999 19.2-141.1-131.6 128.1 18.4 4.5 17.9 150 164 A I E -fg 111 194A 0 43,-1.9 45,-2.9 -2,-0.4 2,-0.6 -0.841 11.8-167.4 -97.3 125.2 20.7 1.5 17.5 151 165 A A E -fg 112 195A 0 -40,-2.5 -38,-2.6 -2,-0.6 2,-0.6 -0.929 6.4-159.6-108.3 109.5 19.2 -1.7 16.1 152 166 A Y E +fg 113 196A 0 43,-3.3 45,-1.7 -2,-0.6 -38,-0.2 -0.830 19.1 170.7 -91.2 117.8 21.6 -4.7 16.5 153 167 A E - 0 0 10 -40,-3.4 45,-0.1 -2,-0.6 2,-0.1 -0.856 29.4-141.2-134.7 104.1 20.6 -7.4 14.0 154 168 A P >> - 0 0 0 0, 0.0 3,-2.1 0, 0.0 4,-0.7 -0.410 18.3-139.2 -61.5 125.3 22.7 -10.5 13.4 155 169 A V G >4 S+ 0 0 51 -40,-2.8 3,-1.0 1,-0.3 -39,-0.2 0.865 101.5 59.4 -55.7 -35.8 22.4 -11.0 9.7 156 170 A W G 34 S+ 0 0 21 -41,-0.6 6,-0.3 1,-0.2 -1,-0.3 0.592 104.6 52.0 -69.6 -8.9 22.1 -14.8 10.3 157 171 A A G <> S+ 0 0 0 -3,-2.1 2,-1.0 40,-0.1 4,-0.5 0.591 80.9 107.4-103.3 -10.6 19.0 -14.2 12.4 158 172 A I T << S- 0 0 46 -3,-1.0 40,-0.0 -4,-0.7 -1,-0.0 -0.551 105.3 -25.0 -76.8 104.3 17.1 -12.0 10.0 159 173 A G T 4 S+ 0 0 78 -2,-1.0 -1,-0.2 1,-0.1 -2,-0.1 0.446 112.5 106.2 78.7 0.7 14.2 -13.9 8.5 160 174 A T T 4 S- 0 0 84 -3,-0.3 -2,-0.1 2,-0.1 -3,-0.1 0.668 85.5-122.1 -86.0 -27.0 15.9 -17.3 9.1 161 175 A G S < S+ 0 0 68 -4,-0.5 2,-0.8 1,-0.1 -4,-0.1 0.421 82.9 113.3 93.5 -3.1 14.0 -18.7 12.1 162 176 A K - 0 0 114 -6,-0.3 -2,-0.1 -5,-0.1 2,-0.1 -0.773 50.6-172.3-106.3 85.5 17.3 -18.8 13.9 163 177 A V - 0 0 43 -2,-0.8 2,-0.2 36,-0.2 36,-0.1 -0.425 28.4-104.0 -79.2 151.2 17.0 -16.2 16.7 164 178 A A - 0 0 1 34,-0.5 -1,-0.1 -2,-0.1 34,-0.0 -0.464 38.0-113.7 -72.1 141.8 19.9 -15.2 18.9 165 179 A T > - 0 0 56 -2,-0.2 4,-2.4 1,-0.1 3,-0.3 -0.354 30.2-108.0 -69.1 164.4 19.8 -16.6 22.3 166 180 A P H > S+ 0 0 30 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.823 120.8 55.9 -62.9 -30.5 19.3 -14.1 25.0 167 181 A Q H > S+ 0 0 133 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.872 107.5 49.1 -70.0 -34.4 22.9 -14.5 26.0 168 182 A Q H > S+ 0 0 53 -3,-0.3 4,-2.3 2,-0.2 5,-0.2 0.975 112.0 47.5 -65.9 -54.2 24.0 -13.7 22.6 169 183 A A H X S+ 0 0 0 -4,-2.4 4,-3.3 1,-0.2 3,-0.3 0.938 112.5 48.1 -50.2 -57.3 21.9 -10.6 22.3 170 184 A Q H X S+ 0 0 26 -4,-2.3 4,-2.6 1,-0.3 -1,-0.2 0.825 110.0 53.0 -56.0 -37.7 22.8 -9.2 25.7 171 185 A E H X S+ 0 0 131 -4,-1.6 4,-1.5 -5,-0.2 -1,-0.3 0.907 112.3 45.0 -66.6 -40.1 26.5 -9.8 25.0 172 186 A A H X S+ 0 0 5 -4,-2.3 4,-2.0 -3,-0.3 -2,-0.2 0.953 115.2 46.5 -66.1 -51.7 26.2 -7.9 21.8 173 187 A H H X S+ 0 0 0 -4,-3.3 4,-2.6 1,-0.2 5,-0.2 0.892 111.4 51.9 -58.7 -42.6 24.1 -5.0 23.3 174 188 A A H X S+ 0 0 31 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.863 107.7 52.3 -63.0 -37.1 26.4 -4.7 26.3 175 189 A L H X S+ 0 0 51 -4,-1.5 4,-2.2 -5,-0.2 -2,-0.2 0.955 110.9 47.0 -62.5 -50.8 29.5 -4.4 24.1 176 190 A I H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.894 112.7 49.2 -56.8 -48.2 27.8 -1.6 22.1 177 191 A R H X S+ 0 0 30 -4,-2.6 4,-3.6 2,-0.2 -1,-0.2 0.895 109.2 51.0 -63.1 -43.1 26.8 0.3 25.2 178 192 A S H X S+ 0 0 69 -4,-2.3 4,-2.3 1,-0.2 5,-0.2 0.919 110.7 48.9 -63.3 -39.6 30.1 0.1 26.8 179 193 A W H X S+ 0 0 32 -4,-2.2 4,-3.1 2,-0.2 5,-0.5 0.943 112.9 48.3 -64.8 -41.6 31.8 1.4 23.7 180 194 A V H X>S+ 0 0 0 -4,-2.5 4,-3.3 1,-0.2 5,-1.7 0.981 111.8 49.1 -60.5 -52.6 29.2 4.2 23.6 181 195 A S H <5S+ 0 0 47 -4,-3.6 5,-0.3 3,-0.2 -1,-0.2 0.829 117.6 40.7 -55.2 -35.2 29.7 5.0 27.2 182 196 A S H <5S+ 0 0 89 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.855 123.7 34.9 -86.1 -33.6 33.5 5.1 26.8 183 197 A K H <5S+ 0 0 133 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.780 136.5 17.2 -88.9 -32.1 33.8 6.9 23.5 184 198 A I T <5S- 0 0 45 -4,-3.3 -3,-0.2 -5,-0.5 2,-0.2 0.842 114.5 -77.1-108.0 -50.1 30.9 9.2 23.9 185 199 A G >< - 0 0 15 -5,-1.7 4,-2.7 1,-0.1 3,-0.2 -0.540 24.5-105.7 149.7 143.5 29.8 9.4 27.5 186 200 A A H > S+ 0 0 69 -5,-0.3 4,-2.8 1,-0.2 5,-0.1 0.819 115.5 56.0 -57.2 -37.5 27.9 7.7 30.2 187 201 A D H > S+ 0 0 95 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.918 111.2 42.8 -64.2 -42.7 24.9 10.0 30.0 188 202 A V H >> S+ 0 0 13 -3,-0.2 4,-1.5 2,-0.2 3,-1.0 0.960 114.9 50.1 -65.1 -52.6 24.4 9.2 26.3 189 203 A A H >< S+ 0 0 4 -4,-2.7 3,-0.7 1,-0.3 -2,-0.2 0.908 107.6 54.4 -48.9 -50.3 25.0 5.6 26.9 190 204 A G H 3< S+ 0 0 44 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.758 113.4 42.5 -60.1 -27.6 22.5 5.5 29.7 191 205 A E H << S+ 0 0 141 -4,-1.0 -1,-0.3 -3,-1.0 -2,-0.2 0.608 88.3 111.5 -96.2 -15.5 19.9 7.0 27.5 192 206 A L << - 0 0 6 -4,-1.5 2,-0.7 -3,-0.7 -43,-0.1 -0.415 58.6-141.0 -69.0 132.3 20.5 5.0 24.3 193 207 A R - 0 0 32 -45,-0.4 -43,-1.9 -2,-0.2 2,-0.7 -0.794 16.0-170.1 -90.8 115.9 17.9 2.5 23.1 194 208 A I E -g 150 0A 0 -2,-0.7 21,-2.4 19,-0.2 22,-0.3 -0.931 10.8-161.5-111.3 106.7 19.6 -0.5 21.7 195 209 A L E -g 151 0A 0 -45,-2.9 -43,-3.3 -2,-0.7 2,-0.4 -0.593 10.1-137.3 -86.5 152.8 17.0 -2.7 19.9 196 210 A Y E +gh 152 217A 0 20,-2.8 22,-2.0 -2,-0.2 2,-0.3 -0.848 24.9 179.5-106.9 139.8 17.4 -6.4 19.1 197 211 A G E + h 0 218A 0 -45,-1.7 22,-0.2 -2,-0.4 -40,-0.1 -1.000 31.1 86.8-143.2 145.6 16.2 -7.6 15.7 198 212 A G S S- 0 0 5 20,-0.8 -34,-0.5 -2,-0.3 -40,-0.2 0.379 99.2 -15.7 125.9 94.0 16.2 -11.0 13.9 199 213 A S S S+ 0 0 29 1,-0.2 -36,-0.2 -36,-0.1 2,-0.1 0.716 77.3 165.8 60.9 30.8 13.5 -13.6 14.2 200 214 A V + 0 0 6 18,-0.3 22,-0.5 4,-0.1 2,-0.3 -0.496 9.3 172.1 -69.7 143.8 11.9 -12.2 17.2 201 215 A N > - 0 0 46 -2,-0.1 4,-1.8 20,-0.1 22,-0.0 -0.845 48.6 -87.8-139.7-179.6 8.4 -13.7 17.8 202 216 A G T 4 S+ 0 0 21 -2,-0.3 4,-0.4 1,-0.2 -2,-0.0 0.756 123.4 45.2 -62.7 -29.1 5.7 -13.7 20.4 203 217 A K T 4 S+ 0 0 143 1,-0.1 4,-0.3 2,-0.1 -1,-0.2 0.893 117.9 39.0 -85.1 -40.9 7.2 -16.6 22.3 204 218 A N T >> S+ 0 0 30 1,-0.2 4,-1.4 -5,-0.1 3,-0.5 0.728 97.7 81.5 -81.6 -20.4 10.9 -15.6 22.3 205 219 A A H 3X S+ 0 0 0 -4,-1.8 4,-2.8 1,-0.2 3,-0.5 0.910 82.6 57.2 -50.4 -56.2 10.3 -11.9 22.9 206 220 A R H 3> S+ 0 0 98 -4,-0.4 4,-0.9 1,-0.2 -1,-0.2 0.806 108.3 45.5 -49.0 -41.6 9.8 -11.8 26.7 207 221 A T H <4 S+ 0 0 72 -3,-0.5 4,-0.4 -4,-0.3 -1,-0.2 0.820 112.6 51.2 -71.4 -37.7 13.1 -13.4 27.6 208 222 A L H >< S+ 0 0 3 -4,-1.4 3,-2.1 -3,-0.5 6,-0.2 0.971 108.9 51.0 -64.2 -51.1 15.0 -11.2 25.2 209 223 A Y H 3< S+ 0 0 20 -4,-2.8 -1,-0.2 1,-0.3 5,-0.2 0.753 98.8 66.4 -56.8 -27.8 13.5 -8.1 26.6 210 224 A Q T 3< S+ 0 0 120 -4,-0.9 -1,-0.3 -5,-0.3 -2,-0.2 0.711 77.1 107.8 -71.0 -16.7 14.4 -9.1 30.1 211 225 A Q S X S- 0 0 45 -3,-2.1 3,-1.6 -4,-0.4 -44,-0.0 -0.355 80.9-119.7 -62.9 140.3 18.1 -8.7 29.3 212 226 A R T 3 S+ 0 0 188 1,-0.3 -1,-0.1 3,-0.0 -3,-0.0 0.744 107.2 39.0 -52.9 -36.1 19.6 -5.7 30.9 213 227 A D T 3 S+ 0 0 19 -211,-0.1 2,-0.6 -20,-0.0 -1,-0.3 0.265 88.2 104.6-105.5 13.4 20.7 -4.0 27.7 214 228 A V < + 0 0 0 -3,-1.6 -19,-0.2 -6,-0.2 3,-0.1 -0.854 36.9 175.8 -99.9 123.9 17.7 -4.8 25.4 215 229 A N - 0 0 2 -21,-2.4 -209,-2.1 -2,-0.6 2,-0.3 0.130 58.9 -61.4-110.1 19.5 15.4 -1.8 24.8 216 230 A G E -b 6 0A 0 -22,-0.3 -20,-2.8 -211,-0.2 2,-0.3 -0.911 60.8 -73.3 136.1-164.9 13.0 -3.3 22.3 217 231 A F E -bh 7 196A 0 -211,-1.6 -209,-3.1 -2,-0.3 2,-0.6 -0.948 3.7-144.0-143.5 159.9 12.9 -4.8 18.9 218 232 A L E -bh 8 197A 3 -22,-2.0 -20,-0.8 -2,-0.3 2,-0.5 -0.988 38.2-169.1-115.7 111.3 13.0 -4.5 15.2 219 233 A V E +b 9 0A 3 -211,-2.9 -209,-2.7 -2,-0.6 -22,-0.1 -0.929 22.4 165.2-117.5 124.6 10.5 -7.1 13.8 220 234 A G S > S+ 0 0 36 -2,-0.5 3,-1.0 -211,-0.2 4,-0.3 0.887 75.2 20.1 -92.6 -84.7 10.0 -8.3 10.4 221 235 A G G > S+ 0 0 55 1,-0.3 3,-1.7 2,-0.2 -20,-0.1 0.878 122.6 52.3 -55.9 -53.3 7.9 -11.5 9.9 222 236 A A G > S+ 0 0 9 -22,-0.5 3,-1.0 1,-0.3 6,-0.6 0.672 100.6 67.1 -62.0 -16.7 6.1 -11.6 13.3 223 237 A S G < S+ 0 0 0 -3,-1.0 -1,-0.3 1,-0.3 -2,-0.2 0.590 90.1 62.2 -80.2 -11.3 5.0 -8.0 12.5 224 238 A L G < S+ 0 0 81 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.292 104.5 62.8 -94.2 9.5 2.9 -9.1 9.7 225 239 A K S X S- 0 0 106 -3,-1.0 3,-1.6 -208,-0.0 4,-0.2 -0.873 93.8-108.0-127.9 168.5 0.9 -11.1 12.2 226 240 A P T >> S+ 0 0 88 0, 0.0 3,-1.6 0, 0.0 4,-0.5 0.702 106.5 81.2 -69.2 -16.4 -1.2 -10.4 15.3 227 241 A E H >> S+ 0 0 30 1,-0.3 4,-1.8 2,-0.2 3,-1.3 0.771 71.8 80.9 -62.1 -18.2 1.5 -11.8 17.4 228 242 A F H <> S+ 0 0 0 -3,-1.6 4,-3.2 -6,-0.6 -1,-0.3 0.874 83.7 60.3 -53.5 -37.6 3.1 -8.4 17.1 229 243 A V H <> S+ 0 0 17 -3,-1.6 4,-2.2 1,-0.3 -1,-0.3 0.863 104.1 49.4 -58.2 -35.9 0.7 -7.2 19.8 230 244 A D H < S+ 0 0 0 -4,-1.8 3,-0.9 2,-0.2 4,-0.3 0.970 106.3 50.3 -62.4 -49.2 5.6 -8.5 21.0 232 246 A I H >< S+ 0 0 2 -4,-3.2 3,-1.7 1,-0.2 -2,-0.2 0.932 109.5 51.7 -52.9 -47.8 4.5 -5.0 22.1 233 247 A K H >< S+ 0 0 81 -4,-2.2 3,-1.9 1,-0.3 -1,-0.2 0.762 93.6 72.0 -62.9 -25.3 3.4 -6.4 25.5 234 248 A A T << S+ 0 0 7 -4,-1.4 -1,-0.3 -3,-0.9 -2,-0.2 0.533 88.9 65.3 -66.6 -7.3 6.8 -8.2 26.1 235 249 A T T < 0 0 2 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.332 360.0 360.0 -97.3 7.0 8.2 -4.7 26.6 236 250 A Q < 0 0 145 -3,-1.9 -3,-0.0 -208,-0.1 -206,-0.0 -0.213 360.0 360.0 -62.6 360.0 6.1 -4.2 29.8