==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 04-NOV-07 2VFH . COMPND 2 MOLECULE: TRIOSEPHOSPHATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; . AUTHOR P.GAYATHRI,M.BANERJEE,A.VIJAYALAKSHMI,H.BALARAM,P.BALARAM, . 494 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20108.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 344 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 72 14.6 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 . 36 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 155 31.4 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 7 3 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 . 1 5 0 6 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 2 A A 0 0 161 0, 0.0 2,-0.3 0, 0.0 201,-0.0 0.000 360.0 360.0 360.0 -46.2 -9.0 17.2 43.0 2 3 A R - 0 0 62 199,-0.1 2,-0.5 1,-0.1 201,-0.1 -0.566 360.0-124.8 -69.3 127.6 -7.1 15.7 40.0 3 4 A K - 0 0 70 -2,-0.3 33,-0.1 199,-0.2 -1,-0.1 -0.650 28.5-119.2 -76.1 118.7 -3.4 16.0 40.4 4 5 A Y - 0 0 82 -2,-0.5 33,-3.0 31,-0.5 2,-0.4 -0.227 24.6-152.9 -60.7 150.3 -1.8 17.9 37.4 5 6 A F E -ab 37 227A 0 221,-2.3 223,-1.2 31,-0.2 2,-0.6 -0.961 12.6-175.9-136.6 109.2 0.7 16.0 35.4 6 7 A V E -ab 38 228A 0 31,-3.5 33,-2.4 -2,-0.4 2,-0.4 -0.935 13.6-171.7-112.5 115.2 3.5 17.6 33.4 7 8 A A E -ab 39 229A 0 221,-2.8 223,-3.3 -2,-0.6 2,-0.7 -0.892 17.1-149.8-116.5 135.6 5.6 15.3 31.3 8 9 A A E -ab 40 230A 0 31,-3.4 33,-2.9 -2,-0.4 2,-0.9 -0.896 8.2-167.8-101.1 113.0 8.9 15.8 29.3 9 10 A N E -a 41 0A 2 221,-3.3 225,-0.2 -2,-0.7 226,-0.1 -0.865 6.6-179.9 -99.7 99.8 9.2 13.6 26.3 10 11 A W - 0 0 3 31,-1.5 309,-0.1 -2,-0.9 -1,-0.1 0.614 19.2-170.1 -73.3 -12.4 12.8 14.0 25.3 11 12 A K - 0 0 13 30,-0.4 2,-1.3 1,-0.2 -1,-0.2 -0.221 62.0 -21.0 51.2-142.8 12.3 11.6 22.4 12 13 A C B S+I 319 0B 0 307,-1.8 307,-2.7 305,-0.1 2,-0.3 -0.569 110.7 108.9 -95.6 71.4 15.6 10.6 20.7 13 14 A N + 0 0 37 -2,-1.3 30,-0.4 305,-0.2 2,-0.1 -0.978 36.2 63.6-144.4 151.0 17.7 13.6 21.9 14 15 A G - 0 0 19 -2,-0.3 2,-0.3 28,-0.1 3,-0.0 -0.140 42.3-134.6 120.3 150.6 20.5 14.5 24.3 15 16 A T > - 0 0 53 -2,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.828 40.7-102.3-121.5 169.2 24.1 14.0 25.2 16 17 A L H > S+ 0 0 57 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.919 125.4 44.8 -53.0 -45.6 25.6 13.3 28.7 17 18 A E H > S+ 0 0 132 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.908 111.4 50.0 -68.3 -44.8 26.6 17.0 28.8 18 19 A S H > S+ 0 0 52 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.877 112.4 48.8 -63.7 -38.9 23.3 18.5 27.5 19 20 A I H X S+ 0 0 2 -4,-2.3 4,-3.0 2,-0.2 5,-0.3 0.905 108.8 53.3 -65.8 -42.9 21.4 16.4 30.0 20 21 A K H X S+ 0 0 113 -4,-2.0 4,-1.5 -5,-0.2 -2,-0.2 0.928 114.1 42.9 -55.5 -45.7 23.7 17.6 32.8 21 22 A S H X S+ 0 0 68 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.913 117.1 45.7 -67.5 -45.5 23.0 21.2 31.8 22 23 A L H X S+ 0 0 16 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.920 111.7 49.8 -66.0 -47.3 19.2 20.7 31.3 23 24 A T H X S+ 0 0 2 -4,-3.0 4,-2.8 1,-0.2 32,-0.3 0.861 107.8 56.1 -63.0 -35.7 18.6 18.7 34.5 24 25 A N H X S+ 0 0 99 -4,-1.5 4,-0.7 -5,-0.3 -1,-0.2 0.899 108.2 47.1 -61.4 -42.4 20.5 21.4 36.4 25 26 A S H >< S+ 0 0 20 -4,-1.6 3,-0.8 1,-0.2 4,-0.3 0.923 113.3 49.1 -60.6 -46.3 18.1 24.1 35.0 26 27 A F H >< S+ 0 0 0 -4,-2.3 3,-1.9 1,-0.2 -2,-0.2 0.888 103.7 59.9 -60.2 -45.3 15.1 21.8 36.0 27 28 A N H 3< S+ 0 0 21 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.694 91.4 69.8 -57.9 -23.2 16.5 21.3 39.5 28 29 A N T << S+ 0 0 133 -3,-0.8 2,-0.6 -4,-0.7 -1,-0.3 0.649 81.8 87.7 -71.5 -15.5 16.3 25.1 40.2 29 30 A L < - 0 0 18 -3,-1.9 2,-0.6 -4,-0.3 -3,-0.0 -0.774 68.2-155.4 -89.8 117.8 12.5 24.9 40.2 30 31 A D + 0 0 141 -2,-0.6 2,-0.3 2,-0.0 -2,-0.1 -0.838 28.3 149.9 -94.9 124.5 11.1 24.1 43.6 31 32 A F - 0 0 17 -2,-0.6 26,-0.0 5,-0.0 213,-0.0 -0.951 49.2-105.0-145.9 161.9 7.6 22.4 43.5 32 33 A D >> - 0 0 87 -2,-0.3 4,-2.1 1,-0.1 3,-1.6 -0.839 19.9-160.1 -96.1 111.2 5.7 20.0 45.7 33 34 A P T 34 S+ 0 0 55 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.610 92.7 61.8 -65.2 -14.4 5.6 16.5 44.1 34 35 A S T 34 S+ 0 0 84 1,-0.1 3,-0.1 3,-0.1 -2,-0.0 0.656 112.6 37.5 -81.8 -17.9 2.6 15.6 46.3 35 36 A K T <4 S+ 0 0 161 -3,-1.6 -31,-0.5 1,-0.3 2,-0.4 0.785 127.4 24.1 -96.2 -36.1 0.7 18.5 44.6 36 37 A L < - 0 0 9 -4,-2.1 2,-0.6 -33,-0.1 -1,-0.3 -0.996 67.3-135.9-139.9 135.0 2.0 18.1 41.1 37 38 A D E -a 5 0A 13 -33,-3.0 -31,-3.5 -2,-0.4 2,-0.5 -0.815 21.4-179.7 -91.2 122.2 3.5 15.3 39.0 38 39 A V E -a 6 0A 1 -2,-0.6 21,-3.4 19,-0.4 2,-0.4 -0.980 8.4-176.1-122.8 117.6 6.5 16.2 36.9 39 40 A V E -ac 7 59A 0 -33,-2.4 -31,-3.4 -2,-0.5 2,-0.5 -0.951 13.8-159.2-123.2 130.8 7.9 13.3 34.8 40 41 A V E -ac 8 60A 0 19,-2.3 21,-1.6 -2,-0.4 -31,-0.2 -0.932 3.0-164.3-110.7 127.8 11.0 13.2 32.6 41 42 A F E +a 9 0A 0 -33,-2.9 -31,-1.5 -2,-0.5 -30,-0.4 -0.820 16.9 177.2-113.4 88.4 11.3 10.5 29.9 42 43 A P - 0 0 0 0, 0.0 21,-0.5 0, 0.0 5,-0.1 -0.338 44.2 -75.7 -82.7 170.6 14.9 10.3 28.7 43 44 A V > - 0 0 2 -30,-0.4 3,-1.9 19,-0.1 4,-0.5 -0.358 51.9-109.7 -57.0 144.3 16.3 7.8 26.1 44 45 A S G > S+ 0 0 23 1,-0.3 3,-1.4 2,-0.2 4,-0.4 0.870 119.5 49.6 -47.1 -48.0 16.6 4.4 27.7 45 46 A V G 3 S+ 0 0 6 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.579 111.7 51.2 -72.8 -9.3 20.5 4.5 27.8 46 47 A H G <> S+ 0 0 0 -3,-1.9 4,-2.8 2,-0.1 -1,-0.3 0.397 83.9 95.7 -99.8 -4.9 20.2 7.9 29.4 47 48 A Y H <> S+ 0 0 6 -3,-1.4 4,-3.3 -4,-0.5 5,-0.2 0.932 84.2 43.3 -58.3 -52.9 17.9 6.8 32.1 48 49 A D H > S+ 0 0 37 -4,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.912 116.4 48.7 -60.9 -44.3 20.4 6.2 34.9 49 50 A H H > S+ 0 0 40 -4,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.928 115.6 44.3 -56.0 -50.2 22.3 9.4 34.1 50 51 A T H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.905 112.6 51.3 -64.5 -45.6 19.0 11.4 34.1 51 52 A R H < S+ 0 0 57 -4,-3.3 -1,-0.2 -5,-0.2 -2,-0.2 0.889 111.0 48.2 -59.4 -41.9 17.7 9.8 37.2 52 53 A K H < S+ 0 0 147 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.789 115.9 43.5 -71.1 -30.3 20.9 10.5 39.2 53 54 A L H < S+ 0 0 55 -4,-1.4 2,-0.2 -5,-0.2 -2,-0.2 0.815 97.4 82.8 -87.2 -35.3 21.0 14.1 38.1 54 55 A L S < S- 0 0 7 -4,-2.4 -30,-0.1 -5,-0.2 -31,-0.0 -0.518 87.6-112.8 -71.0 135.2 17.4 15.0 38.6 55 56 A Q > - 0 0 95 -32,-0.3 3,-2.0 -2,-0.2 -1,-0.1 -0.320 32.9-104.1 -64.4 154.8 16.3 15.9 42.1 56 57 A S T 3 S+ 0 0 118 1,-0.3 -1,-0.1 -4,-0.1 -2,-0.1 0.654 114.1 72.4 -62.9 -19.2 14.0 13.4 43.8 57 58 A K T 3 S+ 0 0 20 -30,-0.1 -19,-0.4 2,-0.1 2,-0.3 0.796 86.0 80.8 -63.5 -30.1 10.9 15.6 43.3 58 59 A F S < S- 0 0 1 -3,-2.0 -19,-0.2 -21,-0.1 2,-0.2 -0.636 75.2-144.5 -78.4 133.2 11.0 14.8 39.6 59 60 A S E -c 39 0A 16 -21,-3.4 -19,-2.3 -2,-0.3 2,-0.3 -0.559 17.4-157.0 -87.6 160.6 9.5 11.5 38.5 60 61 A T E +c 40 0A 0 -21,-0.2 29,-1.5 -2,-0.2 28,-0.9 -0.957 19.0 153.3-138.7 160.3 11.1 9.5 35.7 61 62 A G E -d 89 0A 0 -21,-1.6 2,-0.3 -2,-0.3 29,-0.2 -0.926 36.8 -91.3-163.5-173.0 10.2 6.8 33.1 62 63 A I E -d 90 0A 5 27,-2.1 29,-2.0 -2,-0.3 -19,-0.1 -0.836 26.0-123.5-119.8 159.8 11.0 5.4 29.7 63 64 A Q S S+ 0 0 8 -21,-0.5 2,-0.3 -2,-0.3 31,-0.2 0.407 88.6 8.1 -83.9 -2.1 9.6 6.1 26.2 64 65 A N - 0 0 23 259,-0.1 2,-0.3 28,-0.1 28,-0.1 -0.962 60.1-157.4-169.1 161.1 8.4 2.6 25.3 65 66 A V - 0 0 1 -2,-0.3 13,-0.2 26,-0.1 2,-0.1 -0.982 30.7 -96.7-148.9 152.6 8.0 -0.8 26.9 66 67 A S - 0 0 0 11,-3.0 13,-0.3 -2,-0.3 48,-0.1 -0.373 11.7-146.8 -68.4 146.8 7.8 -4.4 25.5 67 68 A K S S+ 0 0 50 11,-0.1 2,-0.2 -2,-0.1 -1,-0.1 0.566 87.4 68.9 -81.4 -13.7 4.4 -6.1 24.9 68 69 A F S S- 0 0 39 1,-0.1 11,-0.5 9,-0.1 -2,-0.1 -0.586 81.8-128.1 -98.0 163.8 6.3 -9.3 25.8 69 70 A G - 0 0 26 1,-0.3 -1,-0.1 -2,-0.2 191,-0.1 -0.039 58.5 -42.4 -88.3-160.4 7.7 -10.4 29.2 70 71 A N S S+ 0 0 63 2,-0.1 2,-0.3 7,-0.0 -1,-0.3 -0.383 96.6 74.4 -63.9 146.4 11.2 -11.5 29.9 71 72 A G B S-J 260 0C 17 189,-2.4 2,-2.1 -3,-0.1 189,-1.8 -0.978 90.8 -11.8 147.3-158.3 12.6 -13.9 27.4 72 73 A S S S+ 0 0 39 -2,-0.3 2,-0.3 187,-0.2 187,-0.1 -0.470 80.1 123.5 -83.1 70.1 14.0 -14.1 23.8 73 74 A Y > - 0 0 54 -2,-2.1 3,-2.1 3,-0.1 -1,-0.1 -0.677 50.9-152.1-130.9 76.0 13.1 -10.6 22.6 74 75 A T T 3 S+ 0 0 0 -2,-0.3 3,-0.1 1,-0.3 -2,-0.1 -0.217 78.3 15.2 -52.8 128.7 16.3 -9.0 21.5 75 76 A G T 3 S+ 0 0 25 1,-0.3 -1,-0.3 237,-0.1 2,-0.2 0.274 100.1 119.3 91.2 -9.3 16.2 -5.2 21.8 76 77 A E < - 0 0 8 -3,-2.1 2,-0.6 235,-0.1 -1,-0.3 -0.613 54.2-146.2 -96.0 150.3 13.2 -5.0 24.0 77 78 A V - 0 0 16 -2,-0.2 -11,-3.0 -3,-0.1 2,-0.1 -0.957 23.3-146.8-110.4 112.9 12.7 -3.6 27.6 78 79 A S > - 0 0 0 -2,-0.6 4,-2.2 -13,-0.2 3,-0.2 -0.395 20.4-120.0 -78.4 154.7 10.2 -5.7 29.5 79 80 A A H > S+ 0 0 0 -11,-0.5 4,-2.3 -13,-0.3 5,-0.1 0.840 114.7 56.3 -59.6 -34.2 7.9 -4.2 32.1 80 81 A E H > S+ 0 0 57 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.871 106.3 48.5 -69.2 -36.7 9.4 -6.5 34.7 81 82 A I H > S+ 0 0 2 2,-0.2 4,-1.8 -3,-0.2 -2,-0.2 0.924 110.8 51.7 -65.0 -44.8 12.9 -5.2 34.0 82 83 A A H <>S+ 0 0 0 -4,-2.2 5,-2.8 1,-0.2 -2,-0.2 0.923 110.8 47.8 -56.1 -46.0 11.6 -1.7 34.3 83 84 A K H ><5S+ 0 0 84 -4,-2.3 3,-1.8 1,-0.2 -1,-0.2 0.886 107.0 55.4 -64.7 -41.2 10.0 -2.4 37.7 84 85 A D H 3<5S+ 0 0 58 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.874 109.8 47.7 -58.6 -37.0 13.2 -4.1 39.0 85 86 A L T 3<5S- 0 0 21 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.369 117.2-118.7 -81.0 3.6 15.0 -0.9 38.2 86 87 A N T < 5 + 0 0 126 -3,-1.8 2,-0.5 1,-0.2 -3,-0.2 0.787 52.4 166.1 55.6 32.4 12.2 1.1 39.9 87 88 A I < - 0 0 1 -5,-2.8 -1,-0.2 -6,-0.2 -26,-0.2 -0.690 19.1-164.6 -71.3 122.9 11.4 2.9 36.7 88 89 A E + 0 0 55 -28,-0.9 33,-2.7 -2,-0.5 2,-0.3 0.880 57.0 38.0 -85.8 -39.5 8.0 4.4 37.6 89 90 A Y E -de 61 121A 7 -29,-1.5 -27,-2.1 31,-0.2 2,-0.3 -0.814 53.9-168.7-118.5 152.9 6.5 5.5 34.2 90 91 A V E -de 62 122A 0 31,-1.7 33,-3.3 -2,-0.3 2,-0.5 -0.995 18.7-136.6-131.5 143.6 6.2 4.2 30.6 91 92 A I E - e 0 123A 0 -29,-2.0 2,-0.4 -2,-0.3 33,-0.2 -0.864 27.5-174.2 -92.6 131.7 5.0 5.9 27.4 92 93 A I E + e 0 124A 0 31,-2.5 33,-3.2 -2,-0.5 -28,-0.1 -0.995 57.4 8.7-128.6 134.1 2.8 3.6 25.3 93 94 A G S S+ 0 0 0 -2,-0.4 5,-0.1 1,-0.2 -1,-0.1 0.634 71.1 176.6 81.1 15.8 1.4 4.2 21.9 94 95 A H >> - 0 0 5 -31,-0.2 4,-1.9 1,-0.1 3,-1.2 -0.245 40.8-116.3 -51.3 141.3 3.2 7.4 21.0 95 96 A W H 3> S+ 0 0 63 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.819 113.5 58.0 -49.3 -41.0 2.3 8.5 17.4 96 97 A E H 3> S+ 0 0 6 1,-0.2 4,-2.4 2,-0.2 5,-0.5 0.816 107.4 47.3 -66.2 -31.2 5.9 8.1 16.2 97 98 A R H <> S+ 0 0 12 -3,-1.2 6,-1.6 2,-0.2 4,-1.2 0.878 113.1 48.1 -75.8 -39.0 5.9 4.4 17.3 98 99 A R H < S+ 0 0 35 -4,-1.9 4,-0.3 4,-0.3 -2,-0.2 0.867 120.7 39.2 -64.0 -37.7 2.5 3.8 15.6 99 100 A K H < S+ 0 0 91 -4,-2.6 -2,-0.2 -5,-0.2 3,-0.2 0.967 126.5 28.0 -78.0 -57.7 3.8 5.6 12.4 100 101 A Y H < S+ 0 0 66 -4,-2.4 -3,-0.2 1,-0.2 -2,-0.1 0.820 134.3 29.7 -80.2 -32.9 7.4 4.4 12.1 101 102 A F S < S- 0 0 55 -4,-1.2 -1,-0.2 -5,-0.5 -3,-0.2 0.161 101.8-123.3-118.3 15.4 7.2 1.0 13.7 102 103 A H - 0 0 144 -4,-0.3 -4,-0.3 -3,-0.2 2,-0.2 0.750 39.3-179.0 50.3 37.6 3.6 0.2 12.9 103 104 A E - 0 0 19 -6,-1.6 -1,-0.2 -9,-0.1 2,-0.2 -0.489 13.8-148.8 -66.8 132.5 2.5 -0.3 16.5 104 105 A T > - 0 0 69 -2,-0.2 4,-2.3 1,-0.1 5,-0.1 -0.511 28.7-103.2-100.8 168.3 -1.2 -1.2 16.6 105 106 A D H > S+ 0 0 42 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.823 125.8 55.4 -55.3 -33.1 -4.0 -0.6 19.1 106 107 A E H > S+ 0 0 96 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.863 104.9 50.3 -70.4 -38.3 -3.5 -4.3 20.0 107 108 A D H > S+ 0 0 24 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.918 110.0 51.9 -60.2 -45.4 0.2 -3.6 20.7 108 109 A V H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.919 109.8 49.1 -56.6 -47.3 -0.9 -0.7 22.9 109 110 A R H X S+ 0 0 55 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.913 111.9 47.5 -58.1 -47.3 -3.3 -3.0 24.8 110 111 A E H X S+ 0 0 62 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.836 111.5 50.6 -67.6 -34.8 -0.6 -5.7 25.4 111 112 A K H X S+ 0 0 6 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.882 111.1 48.9 -68.5 -40.3 2.0 -3.1 26.6 112 113 A L H X S+ 0 0 0 -4,-2.1 4,-2.9 -5,-0.2 5,-0.3 0.932 110.9 50.6 -62.6 -47.1 -0.6 -1.6 29.0 113 114 A Q H X S+ 0 0 99 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.912 112.8 45.2 -57.9 -47.6 -1.4 -5.1 30.4 114 115 A A H X S+ 0 0 15 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.898 114.0 50.2 -63.0 -41.5 2.2 -6.0 30.9 115 116 A S H <>S+ 0 0 0 -4,-2.2 5,-2.7 2,-0.2 3,-0.3 0.942 113.9 43.3 -62.8 -51.2 2.9 -2.6 32.5 116 117 A L H ><5S+ 0 0 12 -4,-2.9 3,-1.9 1,-0.2 -2,-0.2 0.893 109.4 57.7 -62.2 -43.5 -0.0 -2.8 34.9 117 118 A K H 3<5S+ 0 0 159 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.838 111.2 44.0 -51.6 -37.0 0.8 -6.5 35.7 118 119 A N T 3<5S- 0 0 31 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.109 119.6-109.7-101.6 19.9 4.2 -5.3 36.8 119 120 A N T < 5 + 0 0 116 -3,-1.9 2,-0.3 1,-0.2 -3,-0.2 0.817 67.9 144.7 58.4 38.3 2.9 -2.3 38.8 120 121 A L < - 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0 0 46 -2,-0.3 4,-2.7 1,-0.1 5,-0.3 -0.896 29.8-112.5-125.9 148.5 25.8 -29.5 12.9 425 178 B P H > S+ 0 0 21 0, 0.0 4,-2.6 0, 0.0 5,-0.1 0.846 121.1 51.0 -45.6 -39.0 29.3 -28.1 12.8 426 179 B E H > S+ 0 0 112 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.925 109.2 48.3 -67.5 -46.2 29.5 -29.3 9.2 427 180 B Q H > S+ 0 0 57 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.922 115.8 45.0 -58.2 -46.2 26.2 -27.6 8.2 428 181 B A H X S+ 0 0 1 -4,-2.7 4,-2.9 2,-0.2 -2,-0.2 0.921 110.1 54.4 -64.1 -46.7 27.3 -24.3 9.8 429 182 B Q H X S+ 0 0 28 -4,-2.6 4,-2.6 -5,-0.3 -2,-0.2 0.905 106.8 51.9 -53.7 -46.2 30.8 -24.5 8.3 430 183 B L H X S+ 0 0 112 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.902 112.1 44.6 -61.0 -44.4 29.4 -24.8 4.8 431 184 B V H X S+ 0 0 7 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.938 113.1 52.2 -62.7 -46.1 27.1 -21.8 5.2 432 185 B H H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.876 108.2 50.6 -57.1 -43.1 30.1 -19.8 6.8 433 186 B K H X S+ 0 0 119 -4,-2.6 4,-1.6 2,-0.2 -1,-0.2 0.900 110.8 49.5 -60.5 -43.2 32.3 -20.7 3.9 434 187 B E H X S+ 0 0 62 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.881 109.0 52.0 -65.5 -39.4 29.6 -19.4 1.5 435 188 B I H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.927 108.3 51.6 -60.3 -45.8 29.3 -16.2 3.5 436 189 B R H X S+ 0 0 15 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.822 108.3 51.6 -62.8 -33.0 33.0 -15.6 3.3 437 190 B K H X S+ 0 0 104 -4,-1.6 4,-3.3 2,-0.2 5,-0.2 0.922 106.3 53.7 -69.0 -45.1 32.9 -16.1 -0.5 438 191 B I H X S+ 0 0 15 -4,-2.1 4,-1.5 1,-0.2 -2,-0.2 0.906 111.2 46.7 -51.9 -45.7 30.1 -13.5 -0.8 439 192 B V H X>S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 5,-0.8 0.874 112.0 51.5 -63.5 -39.8 32.4 -11.1 1.1 440 193 B K H X5S+ 0 0 84 -4,-1.9 4,-1.4 3,-0.2 -2,-0.2 0.946 112.0 45.4 -61.3 -48.9 35.3 -12.1 -1.2 441 194 B D H <5S+ 0 0 100 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.744 124.9 32.0 -68.2 -26.3 33.2 -11.5 -4.4 442 195 B T H <5S+ 0 0 60 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.771 135.0 18.5-101.8 -31.9 31.9 -8.1 -3.1 443 196 B C H <5S- 0 0 28 -4,-2.8 -3,-0.2 1,-0.3 -2,-0.2 0.539 111.1 -90.9-123.3 -15.4 34.6 -6.6 -0.9 444 197 B G X< - 0 0 23 -4,-1.4 4,-1.5 -5,-0.8 -1,-0.3 -0.339 32.2 -88.7 116.8 162.8 37.8 -8.4 -1.8 445 198 B E H > S+ 0 0 113 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.894 121.3 49.0 -75.9 -42.8 39.8 -11.5 -0.7 446 199 B K H > S+ 0 0 175 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.830 113.4 49.4 -65.0 -34.1 42.0 -9.9 2.0 447 200 B Q H > S+ 0 0 69 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.856 109.4 51.1 -71.8 -39.9 38.8 -8.3 3.5 448 201 B A H < S+ 0 0 1 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.825 110.5 48.8 -68.0 -33.7 36.9 -11.7 3.4 449 202 B N H < S+ 0 0 85 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.733 112.9 50.1 -74.9 -23.4 39.8 -13.4 5.2 450 203 B Q H < S+ 0 0 72 -4,-0.8 -199,-0.3 -5,-0.2 -2,-0.2 0.835 89.7 93.6 -81.7 -38.4 39.8 -10.6 7.8 451 204 B I S < S- 0 0 0 -4,-1.8 2,-0.4 1,-0.1 -46,-0.1 -0.316 72.7-126.8 -70.7 135.3 36.1 -10.5 8.7 452 205 B R E -q 408 0D 9 -45,-0.5 -43,-2.7 -48,-0.4 2,-0.5 -0.655 20.6-167.9 -79.2 132.8 34.7 -12.5 11.7 453 206 B I E -q 409 0D 0 -2,-0.4 21,-2.8 -45,-0.2 22,-0.4 -0.962 10.8-163.4-123.9 113.3 31.8 -14.8 11.0 454 207 B L E -q 410 0D 0 -45,-3.7 -43,-2.9 -2,-0.5 2,-0.4 -0.674 20.0-123.6 -98.5 147.8 30.1 -16.1 14.1 455 208 B Y E -qr 411 476D 9 20,-2.6 22,-1.8 -2,-0.3 -43,-0.2 -0.754 27.2-178.9 -85.3 134.5 27.7 -19.0 14.5 456 209 B G + 0 0 12 -45,-2.9 -44,-0.2 -2,-0.4 3,-0.1 0.134 43.2 99.1-130.0 18.1 24.4 -17.8 16.1 457 210 B G S S- 0 0 8 -46,-0.3 2,-0.5 1,-0.2 22,-0.2 -0.091 97.3 -38.7 -79.9-164.4 22.2 -20.9 16.5 458 211 B S - 0 0 82 -42,-0.2 2,-0.4 -45,-0.2 -1,-0.2 -0.457 69.5-178.3 -64.1 111.5 21.9 -22.6 19.9 459 212 B V + 0 0 8 -2,-0.5 22,-0.4 18,-0.1 2,-0.2 -0.948 7.9 160.1-114.0 135.8 25.4 -22.6 21.4 460 213 B N > - 0 0 59 -2,-0.4 4,-1.7 20,-0.1 22,-0.0 -0.814 55.4 -86.7-139.2-177.1 26.2 -24.3 24.7 461 214 B T T 4 S+ 0 0 70 -2,-0.2 4,-0.4 1,-0.2 -2,-0.0 0.750 123.2 51.1 -66.1 -24.3 29.2 -25.6 26.7 462 215 B E T 4 S+ 0 0 165 1,-0.1 4,-0.3 2,-0.1 -1,-0.2 0.916 119.1 30.1 -78.9 -45.4 28.9 -29.0 25.0 463 216 B N T > S+ 0 0 42 1,-0.2 4,-1.6 2,-0.1 3,-0.2 0.585 95.4 88.4 -93.5 -11.7 28.8 -28.0 21.3 464 217 B C H X S+ 0 0 4 -4,-1.7 4,-2.9 1,-0.2 5,-0.2 0.899 88.0 49.0 -57.8 -45.5 30.9 -24.8 21.4 465 218 B S H > S+ 0 0 66 -4,-0.4 4,-1.4 1,-0.2 -1,-0.2 0.863 109.4 52.2 -66.1 -35.6 34.3 -26.5 20.8 466 219 B S H 4 S+ 0 0 48 -4,-0.3 -1,-0.2 -3,-0.2 -2,-0.2 0.826 115.9 42.5 -65.7 -34.0 33.0 -28.6 17.8 467 220 B L H >< S+ 0 0 7 -4,-1.6 3,-1.9 -3,-0.2 6,-0.2 0.949 111.6 50.2 -78.0 -53.7 31.7 -25.4 16.2 468 221 B I H 3< S+ 0 0 0 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.2 0.779 101.5 64.6 -58.1 -29.2 34.7 -23.0 16.9 469 222 B Q T 3< S+ 0 0 141 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.1 0.630 78.2 107.0 -72.6 -12.3 37.2 -25.6 15.5 470 223 B Q S X S- 0 0 49 -3,-1.9 3,-1.2 -4,-0.2 -44,-0.0 -0.459 81.2-121.8 -67.9 141.0 35.5 -25.2 12.1 471 224 B E T 3 S+ 0 0 160 1,-0.3 -1,-0.1 -2,-0.1 -3,-0.0 0.779 106.8 34.4 -59.3 -35.0 37.8 -23.2 9.7 472 225 B D T 3 S+ 0 0 20 -20,-0.0 2,-0.6 2,-0.0 -1,-0.3 0.346 93.7 96.2-107.7 4.9 35.3 -20.5 8.9 473 226 B I < + 0 0 0 -3,-1.2 -19,-0.2 -6,-0.2 3,-0.1 -0.879 45.6 177.2 -97.3 117.9 33.5 -20.2 12.3 474 227 B D - 0 0 2 -21,-2.8 -221,-1.8 -2,-0.6 2,-0.3 0.207 57.4 -52.2-108.7 12.1 35.2 -17.4 14.3 475 228 B G E -l 253 0D 0 -22,-0.4 -20,-2.6 -223,-0.2 2,-0.3 -0.967 62.0 -86.0 145.4-163.4 33.1 -17.4 17.4 476 229 B F E -lr 254 455D 0 -223,-1.2 -221,-2.5 -2,-0.3 2,-0.6 -0.979 7.6-137.1-144.2 150.6 29.5 -17.2 18.5 477 230 B L E -l 255 0D 7 -22,-1.8 2,-0.5 -2,-0.3 -221,-0.2 -0.981 40.7-158.6-100.7 114.5 26.6 -15.0 19.4 478 231 B V E +l 256 0D 0 -223,-3.2 -221,-3.1 -2,-0.6 -20,-0.1 -0.832 16.3 178.9-105.9 126.7 25.3 -16.9 22.5 479 232 B G > + 0 0 16 -2,-0.5 3,-2.2 -22,-0.2 4,-0.2 0.695 70.0 1.6 -88.7-110.0 21.8 -16.5 23.8 480 233 B N G > S+ 0 0 90 1,-0.3 3,-1.6 2,-0.2 4,-0.1 0.773 124.7 62.7 -58.7 -30.9 20.4 -18.3 26.9 481 234 B A G > S+ 0 0 14 -22,-0.4 3,-1.1 1,-0.3 -1,-0.3 0.742 94.7 64.4 -63.5 -22.5 23.7 -20.1 27.7 482 235 B S G < S+ 0 0 0 -3,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.487 88.5 68.5 -79.8 -4.1 25.2 -16.5 28.2 483 236 B L G < S+ 0 0 52 -3,-1.6 2,-0.3 -4,-0.2 -1,-0.2 0.391 93.0 76.1 -89.4 -0.4 22.9 -16.0 31.2 484 237 B K S X S- 0 0 122 -3,-1.1 3,-1.5 -4,-0.1 4,-0.1 -0.779 85.3-123.0-113.4 157.0 24.8 -18.7 33.1 485 238 B E T > S+ 0 0 112 -2,-0.3 3,-1.8 1,-0.3 4,-0.2 0.803 108.8 71.5 -63.9 -30.7 28.2 -18.7 34.9 486 239 B S T >> S+ 0 0 44 1,-0.3 3,-1.8 2,-0.2 4,-0.8 0.571 70.3 91.7 -64.2 -9.9 29.2 -21.6 32.7 487 240 B F H X> S+ 0 0 0 -3,-1.5 4,-2.1 1,-0.3 3,-0.5 0.798 72.8 70.2 -52.1 -29.5 29.3 -19.1 29.9 488 241 B V H <> S+ 0 0 23 -3,-1.8 4,-2.3 1,-0.2 -1,-0.3 0.812 93.6 54.9 -59.5 -30.5 33.0 -18.7 30.9 489 242 B D H <> S+ 0 0 76 -3,-1.8 4,-1.0 2,-0.2 -1,-0.2 0.783 104.5 52.7 -74.7 -29.2 33.6 -22.3 29.5 490 243 B I H << S+ 0 0 0 -4,-0.8 3,-0.5 -3,-0.5 4,-0.5 0.917 110.4 48.0 -65.8 -44.9 32.1 -21.1 26.2 491 244 B I H >< S+ 0 0 0 -4,-2.1 3,-1.7 1,-0.2 4,-0.3 0.912 106.2 58.5 -58.1 -44.3 34.6 -18.3 26.3 492 245 B K H >< S+ 0 0 116 -4,-2.3 3,-1.0 1,-0.3 -1,-0.2 0.774 94.7 64.7 -58.0 -30.5 37.4 -20.8 27.1 493 246 B S T 3< S+ 0 0 23 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.720 106.4 43.7 -65.7 -21.5 36.6 -22.7 23.9 494 247 B A T < 0 0 8 -3,-1.7 -1,-0.2 -4,-0.5 -242,-0.2 0.349 360.0 360.0-103.9 2.2 37.8 -19.6 21.9 495 248 B M < 0 0 139 -3,-1.0 -216,-0.0 -4,-0.3 -3,-0.0 -0.338 360.0 360.0 -85.3 360.0 40.9 -18.9 24.0