==== 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 ISOMERASE 22-JUL-02 1M7O . COMPND 2 MOLECULE: TRIOSEPHOSPHATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; . AUTHOR S.PARTHASARATHY,H.BALARAM,P.BALARAM,M.R.N.MURTHY . 492 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20673.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 345 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 69 14.0 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 . 34 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 154 31.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.8 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 5 7 2 0 0 2 0 2 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 4 2 4 3 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 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 3 A R 0 0 115 0, 0.0 2,-0.2 0, 0.0 201,-0.1 0.000 360.0 360.0 360.0 131.4 -7.4 15.4 41.3 2 4 A K - 0 0 75 199,-0.1 33,-0.1 1,-0.1 32,-0.0 -0.416 360.0-114.5 -68.1 129.2 -3.7 16.1 41.4 3 5 A Y - 0 0 78 31,-0.5 33,-2.5 242,-0.2 2,-0.4 -0.321 25.4-150.7 -67.4 145.7 -2.0 17.8 38.4 4 6 A F E -ab 36 226A 0 221,-2.1 223,-1.4 31,-0.2 2,-0.5 -0.969 13.3-177.3-125.9 120.4 0.6 15.9 36.3 5 7 A V E -ab 37 227A 0 31,-2.3 33,-2.3 -2,-0.4 2,-0.4 -0.953 11.4-175.6-120.2 113.6 3.6 17.4 34.4 6 8 A A E -ab 38 228A 0 221,-2.6 223,-3.2 -2,-0.5 2,-0.6 -0.874 16.7-150.9-115.5 142.8 5.7 15.1 32.4 7 9 A A E -ab 39 229A 0 31,-2.3 33,-2.9 -2,-0.4 2,-0.8 -0.931 6.9-168.8-111.8 116.1 8.9 15.7 30.4 8 10 A N E +a 40 0A 2 221,-3.2 225,-0.2 -2,-0.6 226,-0.1 -0.863 7.4 178.5-105.8 98.8 9.5 13.5 27.4 9 11 A W - 0 0 4 31,-1.5 3,-0.4 -2,-0.8 -1,-0.1 0.552 22.3-171.6 -75.1 -6.9 13.1 14.1 26.4 10 12 A K - 0 0 23 30,-0.4 2,-1.2 1,-0.2 -1,-0.2 -0.140 60.9 -16.6 49.5-140.4 12.7 11.6 23.6 11 13 A C B S+I 317 0B 0 306,-1.6 306,-1.8 -3,-0.1 2,-0.3 -0.456 109.7 108.6 -94.3 62.8 15.9 10.7 21.8 12 14 A N + 0 0 39 -2,-1.2 30,-0.4 -3,-0.4 2,-0.1 -0.975 39.0 63.3-137.6 151.3 17.9 13.7 23.0 13 15 A G - 0 0 18 -2,-0.3 2,-0.3 28,-0.1 3,-0.0 -0.340 40.5-137.9 123.7 157.3 20.8 14.4 25.4 14 16 A T > - 0 0 51 -2,-0.1 4,-2.1 316,-0.1 5,-0.2 -0.903 43.4-101.2-140.4 162.9 24.4 14.0 26.4 15 17 A L H > S+ 0 0 58 -2,-0.3 4,-1.4 1,-0.2 5,-0.1 0.893 123.3 49.2 -56.6 -36.7 25.8 13.4 29.9 16 18 A E H > S+ 0 0 133 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.938 109.0 46.8 -68.8 -51.2 26.8 17.1 29.9 17 19 A S H > S+ 0 0 56 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.849 112.8 52.8 -62.4 -32.5 23.5 18.7 28.8 18 20 A I H X S+ 0 0 4 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.850 107.4 49.8 -71.5 -34.7 21.7 16.5 31.3 19 21 A K H X S+ 0 0 98 -4,-1.4 4,-1.2 -5,-0.2 -2,-0.2 0.935 114.4 46.7 -66.5 -44.1 23.9 17.6 34.2 20 22 A S H X S+ 0 0 69 -4,-2.3 4,-0.9 1,-0.2 -2,-0.2 0.881 115.3 44.7 -64.1 -41.7 23.2 21.2 33.1 21 23 A L H X S+ 0 0 18 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.824 108.7 54.9 -75.9 -33.2 19.5 20.7 32.8 22 24 A T H X S+ 0 0 1 -4,-2.2 4,-2.3 1,-0.2 32,-0.2 0.782 102.7 58.1 -71.4 -27.5 18.9 18.7 36.0 23 25 A N H X S+ 0 0 89 -4,-1.2 4,-0.8 2,-0.2 -1,-0.2 0.896 105.9 48.3 -69.1 -40.0 20.5 21.5 38.1 24 26 A S H >< S+ 0 0 25 -4,-0.9 3,-1.0 1,-0.2 4,-0.3 0.942 112.2 49.5 -63.9 -47.1 18.0 24.1 36.8 25 27 A F H >< S+ 0 0 0 -4,-1.7 3,-2.4 1,-0.3 -2,-0.2 0.922 104.5 58.4 -57.6 -47.3 15.1 21.7 37.6 26 28 A N H 3< S+ 0 0 18 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.733 94.3 66.7 -57.3 -23.1 16.4 21.0 41.1 27 29 A N T << S+ 0 0 134 -3,-1.0 2,-0.5 -4,-0.8 -1,-0.3 0.626 77.3 105.3 -74.5 -11.7 16.3 24.7 41.9 28 30 A L < - 0 0 21 -3,-2.4 2,-0.8 -4,-0.3 -3,-0.0 -0.603 66.6-144.8 -77.1 123.8 12.5 24.6 41.6 29 31 A D + 0 0 144 -2,-0.5 2,-0.3 2,-0.0 -2,-0.1 -0.768 40.8 138.8 -88.2 102.3 10.9 24.7 45.1 30 32 A F - 0 0 16 -2,-0.8 5,-0.0 5,-0.0 213,-0.0 -0.999 53.2-118.7-151.2 155.3 7.8 22.5 45.1 31 33 A D > - 0 0 77 -2,-0.3 3,-1.7 1,-0.1 4,-0.4 -0.822 17.5-157.9 -93.6 112.4 5.9 20.0 47.2 32 34 A P T 3 S+ 0 0 58 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.581 87.9 67.2 -65.5 -9.6 5.7 16.6 45.4 33 35 A S T 3 S+ 0 0 75 1,-0.2 3,-0.1 3,-0.1 -31,-0.0 0.543 106.5 39.9 -88.4 -6.6 2.6 15.6 47.5 34 36 A K S < S+ 0 0 166 -3,-1.7 -31,-0.5 1,-0.3 2,-0.3 0.347 125.4 28.2-119.0 1.6 0.5 18.3 45.8 35 37 A L - 0 0 6 -4,-0.4 2,-0.5 -33,-0.1 -1,-0.3 -0.931 68.0-138.2-163.7 134.1 1.8 17.9 42.2 36 38 A D E -a 4 0A 19 -33,-2.5 -31,-2.3 -2,-0.3 2,-0.4 -0.844 21.4-179.8 -98.5 133.4 3.4 15.0 40.2 37 39 A V E -a 5 0A 1 -2,-0.5 21,-3.2 19,-0.3 2,-0.4 -0.981 6.2-177.3-134.9 119.3 6.3 15.9 38.1 38 40 A V E -ac 6 58A 0 -33,-2.3 -31,-2.3 -2,-0.4 2,-0.4 -0.919 13.4-158.0-122.4 145.9 7.9 13.1 36.0 39 41 A V E -ac 7 59A 0 19,-2.1 21,-1.8 -2,-0.4 -31,-0.2 -0.982 2.3-162.9-123.8 131.6 10.9 13.1 33.7 40 42 A F E +a 8 0A 0 -33,-2.9 -31,-1.5 -2,-0.4 -30,-0.4 -0.830 17.0 176.5-117.0 94.6 11.4 10.5 31.0 41 43 A P - 0 0 0 0, 0.0 21,-0.6 0, 0.0 5,-0.1 -0.401 44.7 -74.5 -90.3 171.0 15.1 10.2 29.8 42 44 A V >> - 0 0 2 -30,-0.4 3,-1.5 -32,-0.1 4,-0.6 -0.298 51.1-111.4 -59.4 147.9 16.5 7.8 27.2 43 45 A S G >4 S+ 0 0 24 1,-0.3 3,-1.4 2,-0.2 4,-0.4 0.887 117.3 50.3 -52.2 -46.3 16.9 4.4 28.8 44 46 A V G 34 S+ 0 0 5 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.670 110.2 53.5 -68.9 -12.6 20.8 4.4 28.8 45 47 A H G <> S+ 0 0 0 -3,-1.5 4,-2.8 1,-0.1 -1,-0.3 0.491 83.7 96.0 -95.8 -6.6 20.6 7.8 30.5 46 48 A Y H S+ 0 0 39 -4,-0.4 4,-1.9 2,-0.2 5,-0.3 0.991 116.8 49.4 -29.0 -63.4 20.7 5.8 36.1 48 50 A H H > S+ 0 0 44 -4,-0.3 4,-1.4 1,-0.2 3,-0.3 0.940 113.9 44.8 -49.1 -45.5 22.6 9.0 35.5 49 51 A T H X S+ 0 0 0 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.872 110.0 54.4 -64.1 -39.0 19.4 11.1 35.4 50 52 A R H < S+ 0 0 66 -4,-2.9 -1,-0.2 -3,-0.2 -2,-0.2 0.806 108.6 51.2 -65.7 -29.4 18.0 9.5 38.6 51 53 A K H < S+ 0 0 135 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.811 112.4 43.8 -78.6 -29.9 21.2 10.3 40.4 52 54 A L H < S+ 0 0 51 -4,-1.4 2,-0.3 -5,-0.3 -2,-0.2 0.762 100.0 80.8 -87.0 -23.7 21.2 14.0 39.4 53 55 A L S < S- 0 0 8 -4,-1.9 2,-0.1 -5,-0.1 -30,-0.1 -0.645 80.5-123.3 -87.1 136.3 17.5 14.7 40.1 54 56 A Q > - 0 0 95 -2,-0.3 3,-2.0 -32,-0.2 -2,-0.1 -0.443 33.0-105.1 -73.0 150.8 16.2 15.3 43.6 55 57 A S T 3 S+ 0 0 113 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.0 0.611 110.6 86.5 -52.5 -13.0 13.4 12.9 44.8 56 58 A K T 3 S+ 0 0 37 -30,-0.1 -19,-0.3 -20,-0.0 -1,-0.3 0.949 87.7 63.1 -50.6 -47.1 10.9 15.8 44.2 57 59 A F S < S- 0 0 0 -3,-2.0 2,-0.2 -21,-0.1 -19,-0.2 -0.566 79.0-144.6 -84.0 140.5 10.9 14.5 40.7 58 60 A S E -c 38 0A 18 -21,-3.2 -19,-2.1 -2,-0.2 2,-0.3 -0.662 18.0-149.6 -96.4 157.5 9.7 11.1 39.7 59 61 A T E +c 39 0A 0 -2,-0.2 29,-1.3 -21,-0.2 28,-0.9 -0.925 20.9 159.2-130.6 155.5 11.3 9.2 36.8 60 62 A G E -d 88 0A 0 -21,-1.8 2,-0.3 -2,-0.3 29,-0.2 -0.874 34.4 -97.9-154.7-173.9 10.3 6.7 34.1 61 63 A I E -d 89 0A 4 27,-1.7 29,-1.6 -2,-0.3 -19,-0.1 -0.885 24.0-124.7-120.4 153.3 11.2 5.3 30.8 62 64 A Q S S+ 0 0 7 -21,-0.6 2,-0.3 -2,-0.3 31,-0.2 0.602 88.3 7.5 -70.7 -14.4 9.9 6.1 27.3 63 65 A N - 0 0 23 258,-0.1 2,-0.3 28,-0.1 28,-0.1 -0.986 58.3-161.5-162.1 161.5 8.8 2.6 26.4 64 66 A V - 0 0 1 -2,-0.3 13,-0.2 26,-0.2 2,-0.1 -0.985 30.4 -98.0-148.8 152.5 8.4 -0.9 27.8 65 67 A S - 0 0 0 11,-2.4 13,-0.3 -2,-0.3 48,-0.1 -0.368 10.2-144.6 -75.2 148.9 8.0 -4.4 26.3 66 68 A K S S+ 0 0 52 -2,-0.1 2,-0.1 11,-0.1 -1,-0.1 0.639 87.7 65.4 -83.0 -15.0 4.8 -6.3 25.7 67 69 A F S S- 0 0 41 1,-0.2 11,-0.5 5,-0.0 3,-0.1 -0.455 82.1-127.1 -97.9 173.6 6.6 -9.5 26.6 68 70 A G - 0 0 27 1,-0.3 -1,-0.2 -2,-0.1 190,-0.1 -0.067 58.0 -38.3-100.5-152.5 8.1 -10.5 29.9 69 71 A N S S+ 0 0 69 -2,-0.1 -1,-0.3 7,-0.1 2,-0.3 -0.381 95.8 71.9 -67.9 151.3 11.7 -11.7 30.6 70 72 A G B S-J 258 0C 16 188,-2.5 2,-2.3 -3,-0.1 188,-1.6 -0.955 89.2 -9.1 145.7-162.5 13.1 -13.9 28.0 71 73 A S S S+ 0 0 45 -2,-0.3 2,-0.2 186,-0.2 186,-0.1 -0.448 80.9 121.6 -75.5 73.7 14.5 -14.2 24.5 72 74 A Y > - 0 0 52 -2,-2.3 3,-2.2 3,-0.1 -1,-0.1 -0.653 53.4-148.8-138.1 78.1 13.6 -10.8 23.3 73 75 A T T 3 S+ 0 0 0 1,-0.3 3,-0.1 -2,-0.2 -2,-0.1 -0.195 79.8 11.7 -50.1 125.1 16.8 -9.0 22.2 74 76 A G T 3 S+ 0 0 25 1,-0.3 -1,-0.3 236,-0.0 2,-0.3 0.345 97.5 121.2 89.8 -7.3 16.6 -5.3 22.7 75 77 A E < - 0 0 10 -3,-2.2 2,-0.6 234,-0.1 -1,-0.3 -0.638 52.3-146.7 -95.1 149.5 13.5 -5.2 24.9 76 78 A V - 0 0 14 -2,-0.3 -11,-2.4 -3,-0.1 182,-0.1 -0.935 23.7-148.0-113.1 106.9 13.1 -3.8 28.4 77 79 A S > - 0 0 0 -2,-0.6 4,-1.9 -13,-0.2 -9,-0.1 -0.255 20.6-116.8 -73.3 162.4 10.5 -5.9 30.4 78 80 A A H > S+ 0 0 0 -11,-0.5 4,-2.6 -13,-0.3 5,-0.1 0.827 114.6 54.7 -67.7 -32.9 8.2 -4.6 33.1 79 81 A E H > S+ 0 0 62 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.887 107.1 50.6 -70.2 -35.0 9.8 -6.8 35.7 80 82 A I H > S+ 0 0 2 2,-0.2 4,-1.2 1,-0.2 -2,-0.2 0.925 111.1 48.9 -64.9 -42.4 13.2 -5.4 34.9 81 83 A A H ><>S+ 0 0 0 -4,-1.9 5,-2.1 1,-0.2 3,-0.6 0.936 111.4 50.1 -60.3 -46.9 11.8 -1.9 35.3 82 84 A K H ><5S+ 0 0 86 -4,-2.6 3,-1.5 1,-0.2 -2,-0.2 0.884 105.1 56.4 -59.3 -41.9 10.2 -2.9 38.6 83 85 A D H 3<5S+ 0 0 55 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.795 108.2 49.4 -61.8 -28.7 13.5 -4.4 39.9 84 86 A L T <<5S- 0 0 18 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.369 114.9-113.7 -91.5 2.3 15.2 -1.0 39.3 85 87 A N T < 5 + 0 0 134 -3,-1.5 2,-0.6 1,-0.3 -3,-0.2 0.796 56.6 162.6 69.5 28.0 12.5 1.0 41.1 86 88 A I < - 0 0 2 -5,-2.1 -1,-0.3 1,-0.2 -26,-0.1 -0.731 18.8-168.9 -80.3 119.1 11.4 2.7 37.8 87 89 A E + 0 0 63 -28,-0.9 33,-3.0 -2,-0.6 2,-0.3 0.887 55.8 34.9 -81.5 -41.6 8.0 4.1 38.6 88 90 A Y E -de 60 120A 8 -29,-1.3 -27,-1.7 31,-0.2 2,-0.3 -0.792 53.3-171.5-118.6 160.6 6.4 5.3 35.3 89 91 A V E -de 61 121A 0 31,-1.3 33,-2.8 -2,-0.3 2,-0.4 -0.987 20.5-131.9-144.4 146.5 6.4 4.1 31.7 90 92 A I E - e 0 122A 0 -29,-1.6 2,-0.4 -2,-0.3 -26,-0.2 -0.845 27.4-172.3 -99.9 136.7 5.0 5.8 28.5 91 93 A I E + e 0 123A 1 31,-3.0 33,-3.3 -2,-0.4 -28,-0.1 -0.993 55.7 10.1-137.3 136.8 2.9 3.7 26.2 92 94 A G + 0 0 0 -2,-0.4 -1,-0.1 31,-0.2 5,-0.1 0.657 68.3 173.0 79.5 17.4 1.4 4.2 22.8 93 95 A H >> - 0 0 9 -31,-0.2 4,-1.7 1,-0.1 3,-1.1 -0.277 40.7-121.3 -57.4 155.5 3.2 7.4 21.9 94 96 A F H 3> S+ 0 0 34 1,-0.3 4,-3.6 2,-0.2 5,-0.2 0.877 111.5 60.1 -83.4 -18.0 2.4 8.3 18.2 95 97 A E H 3>>S+ 0 0 5 1,-0.3 4,-1.9 2,-0.2 5,-0.6 0.800 109.6 44.8 -66.1 -29.1 6.1 8.2 17.2 96 98 A R H <45S+ 0 0 12 -3,-1.1 6,-1.2 3,-0.2 4,-0.5 0.804 114.5 47.5 -83.3 -28.9 6.1 4.6 18.3 97 99 A R H <5S+ 0 0 42 -4,-1.7 4,-0.4 4,-0.2 -2,-0.2 0.842 122.1 37.0 -76.7 -33.5 2.8 3.9 16.5 98 100 A K H <5S+ 0 0 119 -4,-3.6 3,-0.3 -5,-0.2 -3,-0.2 0.953 125.1 31.1 -84.4 -58.5 4.1 5.6 13.4 99 101 A Y T <5S+ 0 0 75 -4,-1.9 -3,-0.2 -5,-0.2 -2,-0.1 0.838 133.0 31.2 -73.8 -30.3 7.8 4.7 13.0 100 102 A F S > - 0 0 72 -2,-0.4 4,-1.9 1,-0.1 3,-0.7 -0.445 34.7 -95.8-103.8 179.1 -1.0 -1.3 17.4 104 106 A D H 3> S+ 0 0 28 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.831 125.5 58.7 -64.5 -29.7 -3.8 -0.9 20.0 105 107 A E H 3> S+ 0 0 94 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.771 104.4 48.4 -71.4 -26.6 -3.2 -4.5 20.8 106 108 A D H <> S+ 0 0 20 -3,-0.7 4,-2.2 2,-0.2 5,-0.2 0.862 109.2 55.7 -77.9 -36.1 0.5 -3.8 21.7 107 109 A V H X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.920 110.6 43.2 -59.8 -45.9 -0.7 -0.9 23.8 108 110 A R H X S+ 0 0 53 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.893 113.1 50.8 -70.9 -39.0 -3.1 -3.1 25.9 109 111 A E H X S+ 0 0 62 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.851 113.1 46.8 -66.6 -34.1 -0.5 -6.0 26.3 110 112 A K H X S+ 0 0 7 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.882 111.3 50.9 -73.4 -39.0 2.1 -3.4 27.5 111 113 A L H X S+ 0 0 0 -4,-2.0 4,-2.3 -5,-0.2 -2,-0.2 0.890 111.2 49.3 -65.0 -38.2 -0.4 -1.8 29.9 112 114 A Q H X S+ 0 0 88 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.899 110.0 49.4 -68.0 -42.4 -1.3 -5.2 31.3 113 115 A A H X S+ 0 0 15 -4,-1.8 4,-1.4 2,-0.2 -1,-0.2 0.887 113.0 49.1 -63.6 -38.5 2.4 -6.2 31.8 114 116 A S H <>S+ 0 0 0 -4,-2.1 5,-2.7 2,-0.2 -2,-0.2 0.917 112.4 45.2 -68.1 -45.7 3.0 -2.9 33.6 115 117 A L H ><5S+ 0 0 18 -4,-2.3 3,-1.3 1,-0.2 -1,-0.2 0.843 108.8 57.9 -67.8 -32.0 -0.0 -3.1 35.9 116 118 A K H 3<5S+ 0 0 149 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.873 111.4 42.1 -65.7 -33.9 0.9 -6.7 36.6 117 119 A N T 3<5S- 0 0 31 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.127 118.6-109.8 -99.6 19.8 4.3 -5.5 37.9 118 120 A N T < 5 + 0 0 124 -3,-1.3 2,-0.3 1,-0.2 -3,-0.2 0.791 67.0 144.2 57.5 38.0 2.9 -2.5 39.7 119 121 A L < - 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0 0 25 -4,-1.2 4,-1.9 -5,-0.7 -1,-0.2 -0.337 32.6 -95.4 123.8 152.7 38.6 -8.1 -1.7 443 198 B E H > S+ 0 0 131 2,-0.2 4,-1.3 1,-0.2 -1,-0.1 0.852 122.6 54.2 -70.4 -33.9 40.3 -11.3 -0.6 444 199 B K H > S+ 0 0 170 2,-0.2 4,-0.6 1,-0.2 3,-0.4 0.937 108.9 48.4 -64.6 -44.7 42.3 -9.4 2.1 445 200 B Q H >> S+ 0 0 56 1,-0.2 3,-1.3 2,-0.2 4,-1.2 0.925 108.0 54.9 -60.9 -46.1 39.1 -8.0 3.6 446 201 B A H 3< S+ 0 0 1 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.780 105.9 51.4 -60.3 -30.3 37.4 -11.5 3.7 447 202 B N H 3< S+ 0 0 80 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.566 110.8 49.2 -85.1 -7.0 40.3 -13.1 5.6 448 203 B Q H << S+ 0 0 75 -3,-1.3 2,-0.3 -4,-0.6 -2,-0.2 0.637 88.8 92.2-105.1 -17.8 40.2 -10.4 8.3 449 204 B I S < S- 0 0 0 -4,-1.2 2,-0.3 -15,-0.1 -43,-0.1 -0.581 72.3-127.5 -84.3 137.3 36.5 -10.3 9.2 450 205 B R - 0 0 13 -45,-0.5 -43,-2.7 -2,-0.3 2,-0.5 -0.658 17.8-166.2 -86.7 135.7 35.1 -12.4 12.0 451 206 B I E -q 407 0D 0 -2,-0.3 21,-2.3 -45,-0.2 22,-0.3 -0.959 12.6-162.9-122.7 109.6 32.1 -14.6 11.3 452 207 B L E -q 408 0D 0 -45,-3.6 -43,-2.6 -2,-0.5 2,-0.5 -0.593 18.8-124.3 -94.4 154.3 30.5 -15.9 14.5 453 208 B Y E -qr 409 474D 9 20,-2.4 22,-1.4 -2,-0.2 -43,-0.2 -0.858 24.2-177.2 -96.2 127.0 28.1 -18.8 14.9 454 209 B G + 0 0 13 -45,-3.2 -44,-0.2 -2,-0.5 3,-0.1 0.217 44.2 106.0-111.0 14.4 24.9 -17.7 16.6 455 210 B G S S- 0 0 4 -46,-0.3 2,-0.7 1,-0.2 22,-0.3 0.142 91.4 -44.3 -73.4-159.3 23.0 -20.9 16.9 456 211 B S - 0 0 78 -45,-0.1 2,-0.4 -42,-0.1 -1,-0.2 -0.606 68.4-177.2 -76.1 112.1 22.6 -22.8 20.2 457 212 B V + 0 0 9 -2,-0.7 22,-0.4 18,-0.1 2,-0.2 -0.910 9.6 154.9-115.9 138.9 25.9 -22.8 22.0 458 213 B N > - 0 0 63 -2,-0.4 4,-1.7 20,-0.1 3,-0.1 -0.856 56.8 -85.3-146.5-179.9 26.9 -24.5 25.3 459 214 B T T 4 S+ 0 0 74 -2,-0.2 4,-0.3 1,-0.2 -2,-0.0 0.698 121.7 53.3 -67.2 -20.2 29.8 -26.0 27.2 460 215 B E T 4 S+ 0 0 169 1,-0.1 4,-0.2 2,-0.1 -1,-0.2 0.889 119.3 27.8 -83.4 -38.8 29.4 -29.3 25.5 461 216 B N T > S+ 0 0 43 1,-0.1 4,-0.9 2,-0.1 -2,-0.2 0.523 95.1 88.9-102.6 -5.7 29.5 -28.2 21.8 462 217 B C H >X S+ 0 0 5 -4,-1.7 4,-2.7 1,-0.2 3,-1.3 0.939 86.0 51.3 -59.8 -50.8 31.6 -25.0 21.8 463 218 B S H 3> S+ 0 0 64 -4,-0.3 4,-1.2 1,-0.3 -1,-0.2 0.858 108.9 52.3 -56.9 -35.9 35.0 -26.6 21.3 464 219 B S H 34 S+ 0 0 53 -4,-0.2 -1,-0.3 1,-0.2 -2,-0.2 0.700 114.8 43.0 -75.0 -16.7 33.8 -28.6 18.3 465 220 B L H X< S+ 0 0 3 -3,-1.3 3,-1.7 -4,-0.9 -2,-0.2 0.881 111.6 49.1 -91.4 -47.9 32.4 -25.4 16.7 466 221 B I H 3< S+ 0 0 1 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.775 102.4 67.0 -63.5 -25.3 35.2 -22.9 17.4 467 222 B Q T 3< S+ 0 0 136 -4,-1.2 -1,-0.3 -5,-0.3 -2,-0.1 0.646 77.9 104.5 -72.1 -14.0 37.6 -25.5 16.0 468 223 B Q S X S- 0 0 50 -3,-1.7 3,-1.5 1,-0.1 -3,-0.0 -0.445 80.6-121.3 -71.6 141.2 36.1 -25.2 12.5 469 224 B E T 3 S+ 0 0 162 1,-0.3 -1,-0.1 -2,-0.1 -3,-0.0 0.746 107.6 36.6 -56.4 -30.5 38.2 -23.2 10.0 470 225 B D T 3 S+ 0 0 19 -20,-0.0 2,-0.6 1,-0.0 -1,-0.3 0.357 95.0 93.5-108.7 13.8 35.6 -20.5 9.2 471 226 B I < + 0 0 0 -3,-1.5 -19,-0.2 -6,-0.2 3,-0.1 -0.898 44.4 176.5-106.2 115.9 34.1 -20.1 12.6 472 227 B D - 0 0 2 -21,-2.3 -221,-2.4 -2,-0.6 2,-0.3 0.162 57.6 -54.0-105.4 18.7 35.6 -17.4 14.7 473 228 B G E -l 251 0D 0 -22,-0.3 -20,-2.4 -223,-0.2 2,-0.3 -0.941 60.3 -88.9 143.8-166.1 33.5 -17.3 17.8 474 229 B F E -lr 252 453D 0 -223,-1.3 -221,-3.0 -2,-0.3 2,-0.7 -0.983 7.7-135.3-149.7 161.0 30.0 -17.1 19.0 475 230 B L E -l 253 0D 5 -22,-1.4 2,-0.5 -2,-0.3 -221,-0.2 -0.962 42.0-153.3-109.6 104.7 27.0 -14.9 20.0 476 231 B V E -l 254 0D 0 -223,-3.4 -221,-2.7 -2,-0.7 -20,-0.1 -0.744 15.6-174.0 -93.2 131.0 25.9 -16.9 23.0 477 232 B G > - 0 0 20 -2,-0.5 3,-1.9 -22,-0.3 -1,-0.1 0.679 69.6 -7.5 -85.7-116.1 22.3 -16.8 24.2 478 233 B N G > S+ 0 0 89 1,-0.3 3,-2.0 2,-0.2 4,-0.1 0.747 122.1 70.2 -59.4 -25.9 21.1 -18.4 27.4 479 234 B A G > S+ 0 0 17 -22,-0.4 3,-1.0 1,-0.3 -1,-0.3 0.780 91.9 64.0 -63.5 -19.4 24.4 -20.2 28.2 480 235 B S G < S+ 0 0 0 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.416 88.2 67.4 -83.1 2.7 25.7 -16.7 28.9 481 236 B L G < S+ 0 0 54 -3,-2.0 2,-0.2 -4,-0.1 -1,-0.2 0.293 94.0 75.6-100.3 6.4 23.3 -16.2 31.9 482 237 B K S X S- 0 0 130 -3,-1.0 3,-1.0 -4,-0.1 4,-0.1 -0.727 86.3-120.3-115.1 165.1 25.2 -18.9 33.8 483 238 B E T > S+ 0 0 122 -2,-0.2 3,-1.7 1,-0.2 4,-0.2 0.840 107.8 70.6 -70.7 -35.0 28.5 -19.1 35.6 484 239 B S T >> + 0 0 48 1,-0.3 3,-1.1 2,-0.2 4,-0.6 0.445 69.4 95.6 -64.0 1.9 29.7 -21.8 33.4 485 240 B F H X> S+ 0 0 3 -3,-1.0 4,-1.7 1,-0.3 3,-1.2 0.844 71.8 68.3 -61.3 -30.7 29.9 -19.2 30.6 486 241 B V H <> S+ 0 0 25 -3,-1.7 4,-2.3 1,-0.3 -1,-0.3 0.829 92.7 58.8 -57.1 -32.7 33.6 -18.9 31.5 487 242 B D H <> S+ 0 0 85 -3,-1.1 4,-1.1 1,-0.2 -1,-0.3 0.799 103.4 51.4 -68.3 -28.5 34.1 -22.4 30.2 488 243 B I H << S+ 0 0 0 -3,-1.2 4,-0.4 -4,-0.6 -1,-0.2 0.877 107.9 50.8 -76.1 -38.4 32.9 -21.3 26.8 489 244 B I H >< S+ 0 0 0 -4,-1.7 3,-2.1 1,-0.2 -2,-0.2 0.944 106.0 57.9 -62.4 -44.5 35.2 -18.4 26.7 490 245 B K H >< S+ 0 0 116 -4,-2.3 3,-2.3 1,-0.3 -1,-0.2 0.837 93.6 64.9 -53.8 -37.1 38.1 -20.8 27.5 491 246 B S T 3< S+ 0 0 29 -4,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.697 103.2 50.2 -61.8 -16.4 37.3 -22.9 24.4 492 247 B A T < 0 0 4 -3,-2.1 -1,-0.3 -4,-0.4 -242,-0.2 0.227 360.0 360.0-105.0 12.5 38.4 -19.9 22.4 493 248 B M < 0 0 145 -3,-2.3 -216,-0.0 -211,-0.1 -3,-0.0 -0.361 360.0 360.0 -96.9 360.0 41.6 -19.3 24.3