==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 16-AUG-06 2J27 . COMPND 2 MOLECULE: TRIOSEPHOSPHATE ISOMERASE GLYCOSOMAL; . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA BRUCEI BRUCEI; . AUTHOR M.G.CASTELEIJN,M.ALAHUHTA,K.GROEBEL,I.EL-SAYED,K.AUGUSTYNS, . 498 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19445.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 374 75.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 80 16.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.8 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 . 53 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 159 31.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.6 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 4 8 2 0 0 0 0 1 2 3 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 4 0 8 4 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 . 2 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 2 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 0 171 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 157.7 16.7 32.9 2.6 2 3 A K - 0 0 77 1,-0.1 202,-0.1 225,-0.0 204,-0.1 -0.339 360.0-127.5 -70.3 143.6 17.4 29.2 2.5 3 4 A P - 0 0 18 0, 0.0 -1,-0.1 0, 0.0 201,-0.1 -0.171 55.3 -57.7 -72.5 173.8 20.9 27.8 2.4 4 5 A Q - 0 0 57 200,-0.1 32,-0.2 1,-0.1 224,-0.0 -0.366 65.3-126.5 -54.0 125.5 21.9 25.3 -0.2 5 6 A P - 0 0 10 0, 0.0 32,-2.7 0, 0.0 2,-0.4 -0.304 17.4-145.0 -72.6 163.0 19.6 22.2 0.2 6 7 A I E -ab 37 229A 0 222,-2.0 224,-1.8 30,-0.2 2,-0.6 -0.995 10.8-165.6-128.7 136.3 20.8 18.7 0.6 7 8 A A E -ab 38 230A 0 30,-2.2 32,-2.2 -2,-0.4 2,-0.5 -0.954 19.7-168.4-117.3 107.7 19.2 15.5 -0.7 8 9 A A E -ab 39 231A 2 222,-2.9 224,-3.3 -2,-0.6 2,-0.7 -0.896 12.0-154.9-108.7 121.7 20.9 12.6 1.2 9 10 A A E -ab 40 232A 2 30,-3.4 32,-3.2 -2,-0.5 2,-0.8 -0.819 7.3-170.3 -91.4 111.6 20.5 8.9 0.1 10 11 A N E -a 41 0A 2 222,-3.3 226,-0.2 -2,-0.7 32,-0.1 -0.868 4.3-176.4-101.2 97.9 21.0 6.6 3.1 11 12 A W - 0 0 0 30,-1.9 -1,-0.1 -2,-0.8 31,-0.1 0.579 21.5-165.0 -71.8 -9.5 21.1 3.2 1.4 12 13 A K - 0 0 18 29,-0.4 2,-1.5 1,-0.2 -1,-0.2 -0.205 59.9 -23.4 54.6-150.2 21.3 1.6 4.9 13 14 A C B S+I 321 0B 0 308,-2.0 308,-2.2 -3,-0.1 2,-0.3 -0.564 112.8 107.4 -93.6 68.9 22.4 -2.1 4.9 14 15 A N + 0 0 44 -2,-1.5 29,-0.4 306,-0.2 2,-0.1 -0.987 33.2 70.3-143.6 155.6 21.3 -2.7 1.4 15 16 A G - 0 0 20 -2,-0.3 2,-0.3 27,-0.1 3,-0.0 0.015 42.4-131.6 121.1 145.0 22.4 -3.4 -2.1 16 17 A S > - 0 0 34 1,-0.1 4,-2.6 -2,-0.1 5,-0.4 -0.810 38.4-108.9-110.1 167.0 24.1 -5.7 -4.5 17 18 A Q H > S+ 0 0 63 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.937 121.7 44.7 -59.1 -39.3 26.9 -4.7 -6.9 18 19 A Q H > S+ 0 0 133 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.944 113.7 46.9 -70.6 -46.8 24.4 -5.1 -9.8 19 20 A S H > S+ 0 0 54 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.917 116.4 44.1 -66.6 -40.0 21.5 -3.3 -8.1 20 21 A L H X S+ 0 0 1 -4,-2.6 4,-3.0 2,-0.2 -1,-0.2 0.890 110.5 55.2 -72.9 -34.6 23.5 -0.3 -7.0 21 22 A S H X S+ 0 0 23 -4,-2.1 4,-2.1 -5,-0.4 -2,-0.2 0.917 109.1 48.2 -59.8 -43.8 25.4 -0.1 -10.3 22 23 A E H X S+ 0 0 108 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.905 113.2 47.4 -61.4 -41.4 22.0 0.2 -12.1 23 24 A L H X S+ 0 0 11 -4,-1.9 4,-2.4 -5,-0.2 -2,-0.2 0.929 108.6 53.4 -67.9 -43.6 20.8 2.8 -9.6 24 25 A I H X S+ 0 0 0 -4,-3.0 4,-2.8 1,-0.2 5,-0.2 0.898 104.3 57.2 -58.1 -38.5 24.0 4.9 -9.9 25 26 A D H X S+ 0 0 66 -4,-2.1 4,-1.1 1,-0.2 -1,-0.2 0.913 107.1 48.1 -60.6 -39.3 23.5 4.9 -13.7 26 27 A L H >< S+ 0 0 84 -4,-1.5 3,-0.7 2,-0.2 4,-0.4 0.946 111.3 50.4 -64.1 -45.9 20.1 6.5 -13.2 27 28 A F H >< S+ 0 0 0 -4,-2.4 3,-1.6 1,-0.2 -2,-0.2 0.927 106.0 56.0 -56.6 -43.2 21.6 9.1 -10.8 28 29 A N H 3< S+ 0 0 37 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.812 107.4 50.4 -61.9 -26.7 24.3 9.9 -13.2 29 30 A S T << S+ 0 0 101 -4,-1.1 -1,-0.3 -3,-0.7 2,-0.2 0.432 82.6 115.4 -91.0 0.7 21.7 10.7 -15.9 30 31 A T < - 0 0 16 -3,-1.6 2,-0.7 -4,-0.4 -3,-0.0 -0.524 60.8-137.4 -81.1 140.1 19.6 13.1 -13.8 31 32 A S + 0 0 73 -2,-0.2 2,-0.5 2,-0.0 -1,-0.1 -0.875 24.1 179.8-103.2 112.2 19.4 16.7 -14.9 32 33 A I + 0 0 15 -2,-0.7 4,-0.1 1,-0.1 214,-0.0 -0.973 9.2 178.1-123.4 114.3 19.6 19.0 -11.9 33 34 A N + 0 0 141 -2,-0.5 2,-0.3 2,-0.1 -1,-0.1 0.133 58.2 61.8-114.5 18.9 19.4 22.7 -12.7 34 35 A H S S- 0 0 39 2,-0.1 2,-0.7 0, 0.0 215,-0.1 -0.895 95.1 -84.9-133.6 168.9 19.6 24.3 -9.3 35 36 A D + 0 0 106 -2,-0.3 2,-0.3 214,-0.1 -2,-0.1 -0.650 65.1 141.5 -78.8 111.7 22.2 24.3 -6.5 36 37 A V - 0 0 2 -2,-0.7 2,-0.7 -32,-0.2 -30,-0.2 -0.966 46.4-133.8-150.6 134.3 21.7 21.2 -4.3 37 38 A Q E -a 6 0A 35 -32,-2.7 -30,-2.2 -2,-0.3 2,-0.4 -0.830 23.0-161.0 -88.5 116.2 24.2 18.9 -2.7 38 39 A C E -ac 7 59A 0 20,-2.9 22,-2.0 -2,-0.7 2,-0.4 -0.797 7.6-167.3 -96.3 142.5 23.3 15.3 -3.3 39 40 A V E -ac 8 60A 1 -32,-2.2 -30,-3.4 -2,-0.4 2,-0.5 -0.995 11.8-162.1-133.1 132.6 24.9 12.7 -1.0 40 41 A V E -ac 9 61A 0 20,-2.6 22,-2.6 -2,-0.4 2,-0.8 -0.974 4.1-168.6-117.4 114.0 25.0 8.9 -1.4 41 42 A A E +ac 10 62A 2 -32,-3.2 -30,-1.9 -2,-0.5 -29,-0.4 -0.850 17.0 176.7-102.3 102.0 25.8 7.0 1.8 42 43 A S - 0 0 0 20,-1.0 22,-0.4 -2,-0.8 5,-0.1 -0.454 39.5 -84.0 -92.4 169.0 26.5 3.4 0.8 43 44 A T >> - 0 0 2 -29,-0.4 3,-0.8 -2,-0.1 4,-0.6 -0.341 46.8-105.7 -60.6 162.3 27.6 0.5 3.0 44 45 A F G >4 S+ 0 0 8 1,-0.3 3,-1.1 2,-0.2 4,-0.4 0.859 120.3 57.6 -59.9 -35.9 31.3 0.4 3.6 45 46 A V G 34 S+ 0 0 2 1,-0.2 3,-0.4 2,-0.1 4,-0.3 0.835 108.0 47.5 -64.4 -31.0 31.7 -2.5 1.3 46 47 A H G <> S+ 0 0 0 -3,-0.8 4,-2.5 1,-0.2 5,-0.3 0.402 82.4 94.7 -93.2 2.6 30.2 -0.6 -1.6 47 48 A L H S+ 0 0 24 -4,-0.4 4,-2.0 -3,-0.4 -1,-0.2 0.947 114.2 41.5 -54.3 -51.6 34.8 1.6 -3.7 49 50 A M H > S+ 0 0 24 -4,-0.3 4,-2.2 1,-0.2 5,-0.3 0.875 115.5 50.5 -66.7 -35.8 32.3 0.8 -6.4 50 51 A T H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.930 109.9 49.9 -72.2 -43.4 30.2 3.9 -5.7 51 52 A K H < S+ 0 0 81 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.907 115.1 45.3 -56.3 -42.2 33.2 6.2 -5.8 52 53 A E H < S+ 0 0 156 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.885 122.3 32.7 -71.1 -36.7 34.2 4.7 -9.1 53 54 A R H < S+ 0 0 84 -4,-2.2 2,-0.6 -5,-0.2 -2,-0.2 0.810 95.8 84.6 -94.8 -30.6 30.8 4.7 -10.8 54 55 A L < + 0 0 18 -4,-2.7 7,-0.1 -5,-0.3 -29,-0.1 -0.662 45.3 153.4 -75.7 116.0 29.0 7.8 -9.4 55 56 A S + 0 0 88 -2,-0.6 -1,-0.2 -31,-0.2 -4,-0.0 0.410 21.1 124.1-126.2 -3.6 30.2 10.7 -11.6 56 57 A H > - 0 0 25 1,-0.2 3,-2.2 2,-0.1 -27,-0.1 -0.455 60.2-138.5 -61.3 123.9 27.4 13.2 -11.4 57 58 A P T 3 S+ 0 0 121 0, 0.0 -1,-0.2 0, 0.0 -29,-0.0 0.706 98.8 60.5 -66.6 -14.9 29.3 16.4 -10.2 58 59 A K T 3 S+ 0 0 57 -21,-0.1 -20,-2.9 2,-0.0 2,-0.4 0.416 95.2 80.9 -88.0 2.3 26.4 17.4 -7.8 59 60 A F E < -c 38 0A 16 -3,-2.2 2,-0.3 -22,-0.2 -20,-0.2 -0.869 55.2-176.0-108.6 142.4 26.8 14.1 -5.9 60 61 A V E -c 39 0A 42 -22,-2.0 -20,-2.6 -2,-0.4 2,-0.3 -0.934 25.2-115.9-125.4 160.2 29.3 13.1 -3.2 61 62 A I E -c 40 0A 19 -2,-0.3 28,-0.7 -22,-0.2 27,-0.6 -0.676 31.3-176.3 -95.9 146.7 29.9 9.9 -1.4 62 63 A A E -cd 41 89A 0 -22,-2.6 -20,-1.0 -2,-0.3 28,-0.3 -0.964 22.0-126.4-136.3 154.6 29.4 9.4 2.3 63 64 A A E - d 0 90A 0 26,-2.0 28,-2.4 -2,-0.3 -20,-0.1 -0.629 15.4-137.7 -92.9 161.5 29.8 6.7 5.0 64 65 A Q S S- 0 0 3 -22,-0.4 30,-0.3 1,-0.2 2,-0.3 0.487 78.4 -13.3 -96.1 -6.5 27.0 5.6 7.3 65 66 A N + 0 0 1 260,-0.1 2,-0.3 27,-0.1 -1,-0.2 -0.934 59.4 177.2-175.7 166.7 29.1 5.5 10.5 66 67 A A - 0 0 1 -2,-0.3 2,-0.3 -3,-0.1 12,-0.2 -0.937 27.0-119.9-167.2 169.1 32.6 5.4 11.8 67 68 A I B -j 78 0C 20 10,-2.1 12,-1.9 -2,-0.3 -2,-0.0 -0.770 35.0-113.6-106.4 162.6 34.6 5.4 15.0 68 69 A A S S+ 0 0 46 -2,-0.3 2,-0.3 10,-0.2 10,-0.1 0.888 86.6 25.6 -70.0 -40.4 37.0 8.2 15.8 69 70 A K S S- 0 0 159 10,-0.1 -1,-0.1 9,-0.1 194,-0.1 -0.913 74.2-112.1-130.6 148.9 40.4 6.5 15.6 70 71 A S + 0 0 45 -2,-0.3 2,-0.3 8,-0.1 194,-0.2 -0.340 65.8 83.0 -65.1 158.8 42.2 3.6 14.0 71 72 A G B S-K 263 0D 18 192,-2.3 192,-2.1 190,-0.1 2,-2.0 -0.994 85.1 -5.7 145.3-148.8 43.3 0.7 16.2 72 73 A A S S+ 0 0 44 -2,-0.3 2,-0.2 190,-0.2 190,-0.1 -0.488 80.4 121.8 -87.4 70.5 42.1 -2.5 17.9 73 74 A F > - 0 0 59 -2,-2.0 3,-2.4 3,-0.1 -1,-0.1 -0.655 53.5-150.5-133.0 69.9 38.4 -2.2 17.1 74 75 A T T 3 S+ 0 0 0 1,-0.3 3,-0.1 -2,-0.2 -2,-0.1 -0.187 78.4 12.3 -53.1 129.7 37.7 -5.4 15.1 75 76 A G T 3 S+ 0 0 5 1,-0.3 -1,-0.3 240,-0.1 2,-0.2 0.160 104.5 106.3 92.5 -16.3 34.8 -4.9 12.6 76 77 A E < - 0 0 11 -3,-2.4 2,-0.4 238,-0.1 -1,-0.3 -0.525 58.8-139.7 -96.9 163.5 34.7 -1.1 12.8 77 78 A V - 0 0 0 -2,-0.2 -10,-2.1 -3,-0.1 2,-0.2 -0.972 19.5-144.1-120.9 135.8 35.9 1.6 10.3 78 79 A S B > -j 67 0C 0 -2,-0.4 4,-2.2 -12,-0.2 -10,-0.2 -0.559 23.5-112.7-101.5 159.2 37.7 4.8 11.5 79 80 A L H > S+ 0 0 5 -12,-1.9 4,-2.8 1,-0.2 5,-0.2 0.912 116.3 53.7 -56.2 -45.0 37.6 8.3 10.3 80 81 A P H > S+ 0 0 63 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.902 107.1 52.1 -61.5 -35.6 41.3 8.2 9.1 81 82 A I H > S+ 0 0 2 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.928 112.2 46.1 -63.3 -42.4 40.5 5.1 7.0 82 83 A L H <>S+ 0 0 0 -4,-2.2 5,-2.5 2,-0.2 -1,-0.2 0.906 111.5 51.2 -67.2 -38.0 37.6 6.9 5.4 83 84 A K H ><5S+ 0 0 125 -4,-2.8 3,-1.7 1,-0.2 -2,-0.2 0.917 108.8 50.6 -63.8 -44.3 39.7 10.0 4.8 84 85 A D H 3<5S+ 0 0 66 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.846 107.7 56.2 -57.5 -33.2 42.4 8.0 3.2 85 86 A F T 3<5S- 0 0 9 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.385 120.3-109.4 -82.3 2.1 39.7 6.5 1.0 86 87 A G T < 5S+ 0 0 58 -3,-1.7 2,-0.6 1,-0.2 -3,-0.2 0.729 72.0 139.1 78.8 19.1 38.5 9.9 -0.3 87 88 A V < + 0 0 3 -5,-2.5 -1,-0.2 -6,-0.1 -2,-0.1 -0.894 18.2 167.0-102.1 120.4 35.2 10.0 1.6 88 89 A N + 0 0 73 -2,-0.6 33,-2.9 -27,-0.6 2,-0.3 0.351 54.6 68.1-118.5 5.0 34.5 13.4 3.1 89 90 A W E +de 62 121A 17 -28,-0.7 -26,-2.0 31,-0.2 2,-0.3 -0.936 57.9 177.9-122.5 148.4 30.9 13.2 4.1 90 91 A I E -de 63 122A 0 31,-1.8 33,-2.9 -2,-0.3 2,-0.5 -0.990 26.1-138.8-154.5 141.1 29.5 11.0 6.9 91 92 A V E - e 0 123A 2 -28,-2.4 2,-0.3 -2,-0.3 33,-0.2 -0.894 31.6-179.8 -94.1 128.2 26.1 10.3 8.6 92 93 A L E + e 0 124A 2 31,-2.7 33,-2.8 -2,-0.5 -27,-0.1 -0.971 54.5 20.4-134.0 146.5 26.5 10.0 12.4 93 94 A G S S+ 0 0 0 -2,-0.3 5,-0.1 31,-0.2 -1,-0.1 0.711 72.2 179.7 76.2 19.0 24.0 9.3 15.2 94 95 A H >> - 0 0 3 -30,-0.3 4,-2.2 1,-0.1 3,-1.4 -0.207 40.0-114.1 -54.1 143.0 21.3 7.7 12.9 95 96 A S H 3> S+ 0 0 12 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.807 115.9 57.1 -51.2 -33.1 18.3 6.6 14.9 96 97 A E H 3> S+ 0 0 10 2,-0.2 4,-2.6 1,-0.2 5,-0.4 0.854 108.3 46.8 -71.1 -31.7 19.0 2.9 14.2 97 98 A R H <> S+ 0 0 7 -3,-1.4 6,-1.8 2,-0.2 4,-1.5 0.852 111.3 51.2 -75.9 -36.3 22.5 3.2 15.7 98 99 A R H < S+ 0 0 40 -4,-2.2 4,-0.2 4,-0.2 -2,-0.2 0.897 119.6 37.4 -60.1 -40.1 21.1 5.0 18.8 99 100 A A H < S+ 0 0 76 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.896 132.3 20.3 -77.0 -45.4 18.5 2.2 19.2 100 101 A Y H < S+ 0 0 132 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.1 0.745 121.6 46.0-100.3 -30.8 20.5 -0.9 18.3 101 102 A Y S < S- 0 0 67 -4,-1.5 -1,-0.1 -5,-0.4 -3,-0.1 -0.040 105.3-102.1-123.0 28.4 24.2 -0.2 18.6 102 103 A G + 0 0 53 -4,-0.2 2,-1.3 1,-0.2 -4,-0.2 0.607 61.4 155.7 78.9 13.0 24.7 1.6 21.9 103 104 A E - 0 0 8 -6,-1.8 -1,-0.2 -9,-0.1 -2,-0.1 -0.640 19.5-173.9 -89.3 99.1 25.0 5.3 20.6 104 105 A T > - 0 0 69 -2,-1.3 4,-2.5 1,-0.1 5,-0.2 -0.272 44.2 -93.9 -71.8 171.1 24.0 7.5 23.5 105 106 A N H > S+ 0 0 35 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.874 128.2 47.8 -56.6 -38.3 23.7 11.3 23.0 106 107 A E H > S+ 0 0 103 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.858 108.9 51.6 -74.1 -38.7 27.3 11.7 24.3 107 108 A I H > S+ 0 0 74 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.946 112.0 48.0 -64.2 -40.6 28.7 9.0 22.1 108 109 A V H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.947 110.8 51.7 -60.5 -48.8 27.1 10.6 19.0 109 110 A A H X S+ 0 0 1 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.871 109.5 48.6 -57.3 -41.4 28.4 14.0 20.1 110 111 A D H X S+ 0 0 84 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.900 111.2 49.8 -70.6 -36.0 31.9 12.7 20.4 111 112 A K H X S+ 0 0 26 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.931 111.3 49.9 -62.3 -47.1 31.8 11.0 17.0 112 113 A V H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 5,-0.2 0.946 111.3 48.2 -55.6 -48.8 30.5 14.2 15.4 113 114 A A H X S+ 0 0 23 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.913 112.1 49.2 -61.8 -42.0 33.3 16.3 17.0 114 115 A A H X S+ 0 0 29 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.899 111.1 49.8 -63.8 -40.9 35.9 13.8 15.9 115 116 A A H X>S+ 0 0 0 -4,-2.4 5,-2.3 2,-0.2 4,-0.8 0.915 111.6 48.2 -68.1 -41.1 34.6 13.9 12.3 116 117 A V H ><5S+ 0 0 13 -4,-2.8 3,-1.1 1,-0.2 -2,-0.2 0.933 110.4 51.9 -63.0 -43.1 34.6 17.7 12.2 117 118 A A H 3<5S+ 0 0 89 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.843 107.9 52.8 -60.7 -31.3 38.1 17.8 13.6 118 119 A S H 3<5S- 0 0 36 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.684 125.2-101.4 -77.4 -18.8 39.2 15.4 10.8 119 120 A G T <<5S+ 0 0 24 -3,-1.1 -3,-0.2 -4,-0.8 -2,-0.1 0.438 71.1 144.1 111.2 4.4 37.7 17.6 8.1 120 121 A F < - 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0 0 52 -2,-0.1 4,-1.6 20,-0.1 3,-0.4 -0.861 51.5 -89.2-144.2-179.3 54.6 -12.8 16.7 465 216 B G T 4 S+ 0 0 24 -2,-0.3 4,-0.4 1,-0.2 -2,-0.0 0.801 122.5 48.1 -60.3 -29.2 57.4 -14.2 14.4 466 217 B K T 4 S+ 0 0 204 1,-0.2 4,-0.3 2,-0.1 -1,-0.2 0.776 118.6 34.3 -88.9 -25.7 59.5 -15.1 17.3 467 218 B N T > S+ 0 0 32 -3,-0.4 4,-1.7 -5,-0.1 5,-0.2 0.552 94.5 85.9-105.5 -7.0 57.0 -17.0 19.5 468 219 B A H X S+ 0 0 0 -4,-1.6 4,-2.5 1,-0.2 5,-0.2 0.910 84.3 53.2 -66.9 -42.8 54.8 -18.7 16.9 469 220 B R H > S+ 0 0 117 -4,-0.4 4,-1.3 1,-0.2 -1,-0.2 0.935 108.7 49.0 -61.6 -47.4 56.8 -21.9 16.2 470 221 B T H 4 S+ 0 0 86 -4,-0.3 3,-0.4 1,-0.2 4,-0.4 0.915 112.5 49.2 -61.6 -38.6 57.0 -22.9 19.9 471 222 B L H >< S+ 0 0 4 -4,-1.7 3,-1.7 1,-0.2 -1,-0.2 0.926 106.8 55.7 -63.1 -41.4 53.3 -22.3 20.3 472 223 B Y H 3< S+ 0 0 17 -4,-2.5 -1,-0.2 1,-0.3 5,-0.2 0.779 93.1 70.1 -63.7 -25.6 52.5 -24.4 17.2 473 224 B Q T 3< S+ 0 0 110 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.737 75.9 104.6 -66.4 -17.8 54.4 -27.4 18.6 474 225 B Q S X S- 0 0 57 -3,-1.7 3,-1.6 -4,-0.4 -44,-0.0 -0.383 80.6-124.1 -68.5 143.3 51.6 -27.8 21.2 475 226 B R T 3 S+ 0 0 197 1,-0.3 -1,-0.1 -2,-0.1 -3,-0.0 0.761 105.5 40.7 -63.1 -29.1 49.3 -30.8 20.4 476 227 B D T 3 S+ 0 0 19 -224,-0.1 2,-0.5 -20,-0.0 -1,-0.3 0.306 89.2 101.7-108.6 15.4 46.1 -28.8 20.4 477 228 B V < + 0 0 0 -3,-1.6 -19,-0.2 -5,-0.2 3,-0.1 -0.837 39.1 175.1 -98.0 124.7 47.2 -25.6 18.6 478 229 B N - 0 0 1 -21,-2.8 -222,-1.9 -2,-0.5 2,-0.3 0.177 59.0 -60.7-116.2 18.6 46.2 -25.5 15.0 479 230 B G E -m 256 0E 0 -22,-0.4 -20,-2.4 -224,-0.2 2,-0.3 -0.943 62.9 -67.5 132.9-159.5 47.4 -22.0 14.1 480 231 B F E -ms 257 459E 0 -224,-1.9 -222,-2.8 -2,-0.3 2,-0.6 -0.965 5.3-146.9-144.5 144.1 46.9 -18.4 15.0 481 232 B L E -ms 258 460E 7 -22,-2.1 -20,-0.5 -2,-0.3 2,-0.5 -0.969 37.6-164.3-106.7 111.5 44.6 -15.4 15.0 482 233 B V E +m 259 0E 1 -224,-3.1 -222,-3.3 -2,-0.6 -22,-0.1 -0.905 21.4 165.5-112.8 118.3 47.2 -12.5 14.6 483 234 B G S > S+ 0 0 17 -2,-0.5 3,-2.0 -224,-0.2 4,-0.4 0.753 74.6 17.9 -92.5 -94.6 46.4 -8.9 15.3 484 235 B G G > S+ 0 0 53 1,-0.3 3,-1.5 2,-0.2 -20,-0.1 0.863 124.7 51.6 -53.9 -43.1 49.4 -6.5 15.6 485 236 B A G > S+ 0 0 10 -22,-0.4 3,-1.2 1,-0.3 6,-0.4 0.663 95.7 72.1 -73.7 -9.9 52.0 -8.7 13.8 486 237 B S G < S+ 0 0 0 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.624 91.1 58.6 -80.2 -9.3 49.7 -9.2 10.8 487 238 B L G < S+ 0 0 51 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.254 103.9 68.5 -92.9 9.3 50.3 -5.6 9.8 488 239 B K S X S- 0 0 110 -3,-1.2 3,-2.2 1,-0.0 4,-0.2 -0.848 92.9-106.6-132.0 158.6 54.1 -6.3 9.6 489 240 B P T > S+ 0 0 94 0, 0.0 3,-1.9 0, 0.0 4,-0.4 0.805 109.4 73.9 -54.9 -31.3 56.4 -8.3 7.4 490 241 B E T >> S+ 0 0 60 1,-0.3 4,-1.6 2,-0.2 3,-0.8 0.597 70.7 87.1 -64.6 -9.8 56.9 -10.9 10.1 491 242 B F H <> S+ 0 0 0 -3,-2.2 4,-2.2 -6,-0.4 -1,-0.3 0.894 84.1 58.6 -53.1 -33.9 53.4 -12.3 9.4 492 243 B V H <> S+ 0 0 11 -3,-1.9 4,-2.0 -4,-0.2 -1,-0.2 0.864 101.7 52.7 -64.9 -31.8 55.1 -14.4 6.8 493 244 B D H <> S+ 0 0 79 -3,-0.8 4,-1.4 -4,-0.4 -1,-0.2 0.853 105.5 55.2 -70.9 -31.7 57.3 -16.0 9.5 494 245 B I H < S+ 0 0 0 -4,-1.6 4,-0.4 2,-0.2 -2,-0.2 0.929 107.0 50.8 -65.9 -38.1 54.1 -16.8 11.5 495 246 B I H >< S+ 0 0 0 -4,-2.2 3,-1.9 1,-0.2 -2,-0.2 0.958 109.4 49.7 -59.8 -45.7 52.8 -18.6 8.4 496 247 B K H 3< S+ 0 0 73 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.816 100.3 66.7 -66.8 -24.3 56.1 -20.6 8.2 497 248 B A T 3< S+ 0 0 2 -4,-1.4 2,-1.5 1,-0.2 -1,-0.3 0.574 73.3 94.5 -72.6 -9.9 55.8 -21.5 11.9 498 249 B T < 0 0 2 -3,-1.9 -1,-0.2 -4,-0.4 -2,-0.1 -0.223 360.0 360.0 -84.8 52.9 52.7 -23.6 11.2 499 250 B Q 0 0 120 -2,-1.5 -1,-0.2 -3,-0.1 -2,-0.1 0.409 360.0 360.0-151.8 360.0 54.7 -26.8 10.9