==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 24-APR-97 1YDV . COMPND 2 MOLECULE: TRIOSEPHOSPHATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; . AUTHOR S.S.VELANKAR,M.R.N.MURTHY . 492 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20661.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 342 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 66 13.4 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 . 32 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 155 31.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.2 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 2 2 0 2 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 5 1 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 1 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 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 0 118 0, 0.0 2,-0.2 0, 0.0 201,-0.1 0.000 360.0 360.0 360.0 152.2 7.1 6.1 13.3 2 4 A K - 0 0 75 199,-0.2 2,-0.1 1,-0.1 33,-0.1 -0.489 360.0-117.9 -73.6 140.3 10.5 7.7 12.5 3 5 A Y - 0 0 81 31,-0.5 33,-2.3 242,-0.2 2,-0.4 -0.480 25.8-155.1 -74.6 150.1 13.2 5.7 10.8 4 6 A F E -ab 36 226A 0 221,-1.9 223,-1.1 31,-0.2 2,-0.5 -0.984 11.1-175.8-133.0 118.0 16.4 5.2 12.8 5 7 A V E -ab 37 227A 0 31,-3.1 33,-2.3 -2,-0.4 2,-0.4 -0.973 10.9-172.2-117.2 126.4 19.8 4.5 11.2 6 8 A A E -ab 38 228A 0 221,-2.6 223,-3.2 -2,-0.5 2,-0.6 -0.942 18.7-147.9-124.7 143.6 22.8 3.8 13.4 7 9 A A E -ab 39 229A 0 31,-3.2 33,-2.9 -2,-0.4 2,-0.9 -0.920 9.9-168.3-108.8 111.1 26.6 3.4 12.9 8 10 A N E -a 40 0A 1 221,-3.0 225,-0.2 -2,-0.6 226,-0.1 -0.818 5.1-177.9-100.9 95.2 28.3 0.9 15.3 9 11 A W - 0 0 2 31,-1.3 -1,-0.1 -2,-0.9 3,-0.1 0.623 19.6-169.4 -67.0 -12.4 32.0 1.5 14.8 10 12 A K - 0 0 29 30,-0.4 2,-1.6 1,-0.2 308,-0.2 -0.155 60.1 -19.6 51.7-148.3 32.8 -1.3 17.2 11 13 A C B S+D 317 0B 0 306,-1.8 306,-2.5 304,-0.1 2,-0.3 -0.491 110.2 105.5 -90.8 71.9 36.5 -1.4 18.3 12 14 A N + 0 0 44 -2,-1.6 30,-0.3 304,-0.2 2,-0.1 -0.989 35.7 63.0-147.7 158.1 38.0 0.5 15.3 13 15 A G - 0 0 17 -2,-0.3 2,-0.3 28,-0.1 3,-0.0 -0.212 40.7-136.1 110.7 152.2 39.5 3.8 14.2 14 16 A T > - 0 0 53 -2,-0.1 4,-1.9 316,-0.1 5,-0.2 -0.778 42.9 -95.8-128.4 175.7 42.4 6.3 14.7 15 17 A L H > S+ 0 0 56 -2,-0.3 4,-1.4 2,-0.2 5,-0.1 0.889 123.1 45.5 -64.7 -35.4 42.2 10.0 15.1 16 18 A E H > S+ 0 0 129 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.937 112.3 47.3 -73.3 -53.0 42.9 10.5 11.3 17 19 A S H > S+ 0 0 52 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.899 112.2 51.8 -56.1 -41.2 40.5 8.0 9.9 18 20 A I H X S+ 0 0 3 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.883 108.2 52.7 -64.7 -36.3 37.8 9.3 12.2 19 21 A K H X S+ 0 0 91 -4,-1.4 4,-1.6 -5,-0.2 3,-0.2 0.998 112.9 42.5 -63.0 -58.0 38.5 12.8 10.9 20 22 A S H X S+ 0 0 61 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.856 113.9 52.1 -55.1 -44.5 38.2 11.8 7.3 21 23 A L H >X S+ 0 0 17 -4,-2.8 4,-2.1 1,-0.2 3,-0.5 0.930 110.1 46.6 -60.8 -48.8 35.1 9.6 7.9 22 24 A T H 3X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 32,-0.2 0.757 106.8 60.4 -66.2 -24.7 33.2 12.4 9.7 23 25 A N H 3< S+ 0 0 75 -4,-1.6 4,-0.5 -5,-0.2 -1,-0.2 0.841 107.4 45.2 -68.5 -36.5 34.2 14.8 6.9 24 26 A S H X< S+ 0 0 25 -4,-1.4 3,-1.1 -3,-0.5 -2,-0.2 0.920 111.4 51.6 -73.6 -43.3 32.3 12.5 4.4 25 27 A F H >< S+ 0 0 0 -4,-2.1 3,-1.7 1,-0.3 -2,-0.2 0.859 103.1 59.7 -60.4 -39.1 29.3 12.1 6.6 26 28 A N T 3< S+ 0 0 19 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.713 91.7 68.9 -64.2 -21.3 28.9 15.9 7.1 27 29 A N T < S+ 0 0 145 -3,-1.1 2,-0.4 -4,-0.5 -1,-0.3 0.555 79.1 101.7 -73.4 -10.0 28.6 16.3 3.3 28 30 A L < - 0 0 18 -3,-1.7 2,-0.7 -4,-0.2 -3,-0.0 -0.654 66.9-144.0 -80.6 133.0 25.2 14.6 3.5 29 31 A D + 0 0 145 -2,-0.4 2,-0.3 2,-0.0 -2,-0.1 -0.854 42.0 131.8-100.3 111.7 22.1 16.9 3.3 30 32 A F - 0 0 23 -2,-0.7 213,-0.0 5,-0.0 26,-0.0 -0.967 54.2-109.8-152.6 166.1 19.3 15.6 5.6 31 33 A D >> - 0 0 78 -2,-0.3 4,-1.5 1,-0.1 3,-1.4 -0.905 14.6-156.1-107.6 116.2 16.8 16.9 8.2 32 34 A P T 34 S+ 0 0 58 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.538 90.6 65.8 -67.5 -6.5 17.4 15.6 11.8 33 35 A S T 34 S+ 0 0 82 1,-0.1 3,-0.1 3,-0.1 23,-0.0 0.622 109.6 36.1 -89.5 -11.7 13.7 16.2 12.7 34 36 A K T <4 S+ 0 0 146 -3,-1.4 -31,-0.5 1,-0.3 2,-0.4 0.756 122.0 34.9-102.4 -45.1 12.5 13.5 10.2 35 37 A L < - 0 0 8 -4,-1.5 2,-0.6 -33,-0.1 -1,-0.3 -0.958 68.6-138.2-120.0 140.1 15.2 10.9 10.5 36 38 A D E +a 4 0A 20 -33,-2.3 -31,-3.1 -2,-0.4 2,-0.5 -0.878 23.1 177.8 -99.8 121.0 17.3 9.7 13.4 37 39 A V E -a 5 0A 3 -2,-0.6 21,-2.8 19,-0.3 2,-0.4 -0.991 6.2-177.1-124.6 119.4 21.0 9.1 12.5 38 40 A V E -ac 6 58A 0 -33,-2.3 -31,-3.2 -2,-0.5 2,-0.4 -0.964 14.4-158.3-124.6 134.7 23.3 8.0 15.4 39 41 A V E -ac 7 59A 0 19,-2.1 21,-1.6 -2,-0.4 -31,-0.2 -0.936 4.9-162.1-110.5 130.0 27.1 7.3 15.4 40 42 A F E +a 8 0A 0 -33,-2.9 -31,-1.3 -2,-0.4 -30,-0.4 -0.842 16.9 179.5-115.0 92.4 28.5 5.1 18.2 41 43 A P - 0 0 1 0, 0.0 21,-0.5 0, 0.0 5,-0.1 -0.300 41.7 -76.9 -85.6 172.8 32.3 5.6 18.5 42 44 A V >> - 0 0 3 -30,-0.3 3,-2.3 1,-0.1 4,-0.5 -0.431 50.7-109.9 -64.1 146.4 34.8 3.9 21.0 43 45 A S G >4 S+ 0 0 24 1,-0.3 3,-1.5 2,-0.2 4,-0.3 0.877 118.4 49.3 -47.7 -49.1 34.5 5.5 24.4 44 46 A V G 34 S+ 0 0 2 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.543 109.8 54.4 -71.5 -4.1 37.9 7.2 24.3 45 47 A H G <> S+ 0 0 0 -3,-2.3 4,-2.5 1,-0.1 -1,-0.3 0.418 80.8 98.3-106.0 -0.3 37.0 8.6 20.8 46 48 A Y H S+ 0 0 57 -4,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.904 115.7 50.2 -60.2 -44.6 34.8 13.9 22.5 48 50 A H H > S+ 0 0 41 -4,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.912 114.6 44.5 -59.9 -44.4 36.8 13.8 19.3 49 51 A T H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.947 111.7 50.2 -67.3 -49.2 33.8 12.5 17.3 50 52 A R H < S+ 0 0 68 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.901 110.9 51.8 -55.7 -47.3 31.1 14.8 18.8 51 53 A K H < S+ 0 0 173 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.886 114.9 40.8 -56.6 -44.1 33.3 17.8 18.0 52 54 A L H < S+ 0 0 40 -4,-1.6 2,-0.3 -5,-0.2 -2,-0.2 0.869 99.9 80.2 -78.3 -36.1 33.9 16.8 14.4 53 55 A L S < S- 0 0 6 -4,-2.7 -30,-0.1 -5,-0.1 -31,-0.0 -0.551 84.7-119.6 -75.1 131.2 30.3 15.6 13.6 54 56 A Q > - 0 0 94 -2,-0.3 3,-1.9 -32,-0.2 -1,-0.1 -0.294 32.9 -99.9 -65.4 159.8 27.8 18.4 12.8 55 57 A S T 3 S+ 0 0 116 1,-0.3 -1,-0.1 3,-0.0 -2,-0.1 0.563 111.9 80.3 -59.0 -12.8 24.8 18.6 15.1 56 58 A K T 3 S+ 0 0 41 -30,-0.0 -19,-0.3 2,-0.0 2,-0.3 0.756 87.0 70.5 -61.5 -35.3 22.5 16.8 12.6 57 59 A F S < S- 0 0 1 -3,-1.9 2,-0.2 -7,-0.1 -19,-0.2 -0.722 75.3-144.8 -86.2 143.5 24.0 13.6 13.9 58 60 A S E -c 38 0A 21 -21,-2.8 -19,-2.1 -2,-0.3 2,-0.3 -0.638 16.7-151.2 -97.6 163.8 23.3 12.1 17.4 59 61 A T E +c 39 0A 1 -21,-0.2 29,-0.9 -2,-0.2 28,-0.9 -0.924 18.7 162.2-136.0 157.9 26.0 10.2 19.3 60 62 A G E -e 88 0C 0 -21,-1.6 2,-0.3 -2,-0.3 29,-0.2 -0.945 32.8 -96.4-160.0-179.9 26.1 7.5 21.9 61 63 A I E -e 89 0C 5 27,-2.1 29,-1.8 -2,-0.3 -19,-0.1 -0.838 21.2-131.6-113.5 151.2 28.2 4.8 23.6 62 64 A Q S S+ 0 0 8 -21,-0.5 2,-0.3 -2,-0.3 31,-0.2 0.513 86.1 13.9 -76.5 -8.6 28.5 1.1 22.8 63 65 A N - 0 0 27 258,-0.1 2,-0.3 28,-0.1 28,-0.1 -0.973 57.9-164.7-165.0 151.8 28.0 -0.1 26.4 64 66 A V - 0 0 2 -2,-0.3 13,-0.2 26,-0.3 2,-0.1 -0.946 29.7-102.6-139.6 154.8 26.9 1.1 29.9 65 67 A S - 0 0 0 11,-2.5 13,-0.3 -2,-0.3 48,-0.1 -0.440 9.7-143.5 -78.4 155.6 27.2 -0.4 33.4 66 68 A K S S+ 0 0 40 -2,-0.1 2,-0.2 11,-0.1 -1,-0.1 0.540 87.5 63.1 -90.6 -11.9 24.5 -2.2 35.3 67 69 A F S S- 0 0 40 1,-0.2 11,-0.4 9,-0.1 -2,-0.1 -0.567 83.6-122.7-104.3 171.3 25.7 -0.5 38.5 68 70 A G - 0 0 26 1,-0.3 -1,-0.2 -2,-0.2 2,-0.1 -0.016 58.1 -40.6 -95.6-157.3 25.8 3.1 39.4 69 71 A N S S+ 0 0 66 2,-0.1 2,-0.3 -2,-0.0 -1,-0.3 -0.477 96.1 71.8 -67.9 139.8 28.7 5.3 40.4 70 72 A G B S-I 258 0D 16 188,-2.0 2,-2.1 -2,-0.1 188,-1.9 -0.995 88.1 -6.7 155.6-157.1 31.1 3.5 42.8 71 73 A S S S+ 0 0 47 -2,-0.3 2,-0.2 186,-0.2 186,-0.1 -0.461 82.1 116.8 -78.1 74.0 33.8 0.9 43.2 72 74 A Y > - 0 0 53 -2,-2.1 3,-1.6 3,-0.1 -2,-0.1 -0.738 53.7-151.8-142.3 82.6 33.6 -0.7 39.7 73 75 A T T 3 S+ 0 0 0 -2,-0.2 3,-0.1 1,-0.2 -2,-0.0 -0.365 78.7 20.6 -59.0 132.2 36.9 -0.2 37.9 74 76 A G T 3 S+ 0 0 26 1,-0.3 -1,-0.2 -2,-0.1 2,-0.2 0.228 99.0 116.8 92.6 -10.5 36.6 -0.1 34.1 75 77 A E < - 0 0 13 -3,-1.6 2,-0.5 234,-0.1 -1,-0.3 -0.556 51.1-152.7 -96.5 155.5 32.9 0.8 34.0 76 78 A V - 0 0 15 -2,-0.2 -11,-2.5 -3,-0.1 2,-0.1 -0.994 22.9-150.1-122.1 119.8 30.9 3.8 32.7 77 79 A S > - 0 0 0 -2,-0.5 4,-1.8 -13,-0.2 -9,-0.1 -0.476 23.7-112.6 -90.1 168.2 27.6 4.4 34.5 78 80 A A H > S+ 0 0 0 -11,-0.4 4,-2.7 -13,-0.3 5,-0.2 0.891 115.7 54.4 -64.1 -43.1 24.4 5.9 33.2 79 81 A E H > S+ 0 0 63 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.880 108.0 49.7 -61.5 -36.1 24.7 9.0 35.5 80 82 A I H > S+ 0 0 1 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.905 111.4 49.2 -67.4 -42.7 28.2 9.7 34.1 81 83 A A H <>S+ 0 0 0 -4,-1.8 5,-2.5 2,-0.2 3,-0.2 0.935 110.8 50.6 -62.1 -44.2 26.9 9.4 30.6 82 84 A K H ><5S+ 0 0 94 -4,-2.7 3,-1.8 1,-0.2 -2,-0.2 0.895 106.7 53.1 -61.8 -43.0 23.9 11.8 31.4 83 85 A D H 3<5S+ 0 0 40 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.853 109.0 51.6 -61.5 -32.1 26.2 14.4 32.9 84 86 A L T 3<5S- 0 0 20 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.365 116.9-117.0 -86.2 3.3 28.2 14.3 29.6 85 87 A N T < 5 + 0 0 132 -3,-1.8 2,-0.3 1,-0.2 -3,-0.2 0.728 54.9 164.2 67.6 24.4 25.0 14.8 27.6 86 88 A I < - 0 0 4 -5,-2.5 -1,-0.2 -6,-0.1 -26,-0.1 -0.598 19.4-167.2 -74.2 128.9 25.4 11.3 25.9 87 89 A E + 0 0 59 -28,-0.9 33,-2.1 -2,-0.3 2,-0.3 0.808 56.5 34.9 -91.6 -34.0 22.0 10.5 24.4 88 90 A Y E -ef 60 120C 10 -29,-0.9 -27,-2.1 31,-0.2 2,-0.3 -0.923 52.3-168.7-127.0 156.2 22.1 6.8 23.4 89 91 A V E -ef 61 121C 0 31,-1.4 33,-2.7 -2,-0.3 2,-0.4 -0.996 19.6-135.0-140.2 135.1 23.5 3.5 24.7 90 92 A I E - f 0 122C 1 -29,-1.8 2,-0.4 -2,-0.3 -26,-0.3 -0.790 27.3-172.3 -89.9 136.8 23.7 0.1 23.1 91 93 A I E + f 0 123C 0 31,-2.7 33,-3.0 -2,-0.4 -28,-0.1 -0.998 57.4 9.0-133.8 133.7 22.7 -2.8 25.3 92 94 A G + 0 0 1 -2,-0.4 5,-0.1 31,-0.2 -1,-0.1 0.635 68.7 173.7 78.9 17.5 22.9 -6.6 24.8 93 95 A H >> - 0 0 9 -31,-0.2 4,-1.5 1,-0.1 3,-1.3 -0.302 41.0-120.1 -56.5 141.6 25.0 -6.7 21.6 94 96 A F H 3> S+ 0 0 33 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.760 110.7 62.5 -59.0 -27.6 25.8 -10.3 20.8 95 97 A E H 3>>S+ 0 0 6 1,-0.2 4,-2.5 2,-0.2 5,-0.7 0.883 107.3 44.7 -66.1 -30.7 29.5 -9.7 21.0 96 98 A R H <45S+ 0 0 15 -3,-1.3 6,-1.4 2,-0.2 4,-0.4 0.814 113.9 48.7 -80.5 -33.3 29.1 -8.7 24.6 97 99 A R H <5S+ 0 0 48 -4,-1.5 -2,-0.2 4,-0.2 -1,-0.2 0.855 121.5 37.5 -71.8 -37.2 26.8 -11.7 25.3 98 100 A K H <5S+ 0 0 131 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.955 125.7 28.9 -79.4 -59.8 29.3 -14.0 23.6 99 101 A Y T <5S+ 0 0 77 -4,-2.5 -3,-0.2 -5,-0.2 2,-0.1 0.859 130.5 32.3 -73.4 -42.1 32.8 -12.8 24.5 100 102 A F S - 0 0 57 -2,-0.2 4,-2.2 1,-0.0 3,-0.2 -0.583 41.6 -93.5-113.6 177.5 22.9 -12.4 30.4 104 106 A D H > S+ 0 0 23 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.812 127.3 56.8 -62.0 -28.1 19.3 -11.4 30.0 105 107 A E H > S+ 0 0 110 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.882 105.2 48.9 -71.1 -38.9 19.5 -10.3 33.7 106 108 A D H > S+ 0 0 25 -3,-0.2 4,-2.4 2,-0.2 5,-0.2 0.928 109.5 54.5 -65.0 -41.8 22.4 -8.0 32.9 107 109 A V H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.921 108.4 47.1 -57.8 -46.8 20.4 -6.6 30.0 108 110 A R H X S+ 0 0 70 -4,-2.1 4,-2.8 1,-0.2 -1,-0.2 0.892 112.2 49.8 -66.5 -36.3 17.4 -5.7 32.2 109 111 A E H X S+ 0 0 81 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.879 111.7 48.3 -70.5 -35.8 19.6 -4.1 34.9 110 112 A K H X S+ 0 0 6 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.886 113.4 47.8 -70.2 -37.6 21.4 -1.9 32.3 111 113 A L H X S+ 0 0 0 -4,-2.2 4,-2.8 -5,-0.2 5,-0.3 0.965 110.6 51.1 -66.8 -50.2 18.1 -0.9 30.7 112 114 A Q H X S+ 0 0 85 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.874 112.0 48.1 -54.3 -39.5 16.6 -0.1 34.1 113 115 A A H X S+ 0 0 15 -4,-1.9 4,-0.7 2,-0.2 -1,-0.2 0.876 112.0 48.1 -71.2 -39.2 19.7 2.1 35.0 114 116 A S H ><>S+ 0 0 0 -4,-2.1 5,-2.2 2,-0.2 3,-0.9 0.953 115.0 44.5 -66.9 -48.5 19.6 3.9 31.6 115 117 A L H ><5S+ 0 0 15 -4,-2.8 3,-2.0 1,-0.3 -2,-0.2 0.902 107.7 58.7 -62.2 -41.4 15.9 4.7 31.9 116 118 A K H 3<5S+ 0 0 153 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.742 111.2 43.4 -60.4 -22.6 16.2 5.7 35.5 117 119 A N T <<5S- 0 0 39 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.211 119.4-108.8-108.0 14.2 18.7 8.3 34.3 118 120 A N T < 5 + 0 0 130 -3,-2.0 2,-0.3 1,-0.2 -3,-0.2 0.893 69.2 143.7 59.5 44.7 16.7 9.5 31.3 119 121 A L < - 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0 0 23 -5,-0.9 4,-2.4 -4,-0.8 5,-0.2 -0.301 33.3 -83.4 120.8 158.3 67.0 -12.4 38.5 443 198 B E H > S+ 0 0 124 1,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.841 122.9 52.6 -66.0 -39.8 68.1 -10.2 41.3 444 199 B K H > S+ 0 0 151 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.896 113.9 45.1 -63.9 -38.7 68.9 -7.1 39.2 445 200 B Q H >> S+ 0 0 61 1,-0.2 4,-1.4 2,-0.2 3,-0.9 0.913 111.8 51.3 -70.4 -44.3 65.4 -7.3 37.7 446 201 B A H 3< S+ 0 0 0 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.851 107.5 54.6 -61.8 -38.0 63.7 -7.9 41.0 447 202 B N H 3< S+ 0 0 71 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.604 109.5 45.6 -73.9 -15.7 65.4 -4.9 42.6 448 203 B Q H << S+ 0 0 64 -3,-0.9 -199,-0.2 -4,-0.5 -1,-0.2 0.720 89.4 95.2-100.8 -19.7 64.2 -2.4 39.9 449 204 B I S < S- 0 0 2 -4,-1.4 2,-0.3 -201,-0.1 -46,-0.1 -0.435 71.9-126.5 -75.4 136.9 60.5 -3.4 39.6 450 205 B R - 0 0 10 -45,-0.5 -43,-2.6 -48,-0.4 2,-0.4 -0.622 18.4-166.0 -85.1 144.4 58.0 -1.4 41.7 451 206 B I E -p 407 0E 0 -2,-0.3 21,-2.7 -45,-0.2 22,-0.4 -0.981 12.0-163.9-131.4 115.3 55.5 -3.1 44.0 452 207 B L E -p 408 0E 0 -45,-3.1 -43,-2.6 -2,-0.4 2,-0.5 -0.577 19.4-122.0-100.2 160.1 52.6 -1.0 45.2 453 208 B Y E -pq 409 474E 10 20,-2.2 22,-1.7 -2,-0.2 -43,-0.2 -0.898 22.9-177.3-101.2 128.5 50.1 -1.5 48.0 454 209 B G + 0 0 13 -45,-2.8 -44,-0.1 -2,-0.5 3,-0.1 0.019 46.3 103.3-116.4 25.8 46.5 -1.5 46.9 455 210 B G S S- 0 0 8 -46,-0.2 2,-0.6 1,-0.2 22,-0.2 -0.106 92.0 -43.6 -87.7-162.9 44.6 -1.8 50.2 456 211 B S - 0 0 82 20,-0.1 2,-0.5 -42,-0.1 -1,-0.2 -0.521 65.2-174.9 -70.1 110.7 42.8 1.0 52.0 457 212 B V + 0 0 11 -2,-0.6 22,-0.3 18,-0.1 2,-0.2 -0.943 11.8 155.5-114.0 125.5 45.1 4.0 51.8 458 213 B N > - 0 0 65 -2,-0.5 4,-1.5 18,-0.1 3,-0.2 -0.770 57.5 -87.9-133.6-179.2 44.3 7.3 53.6 459 214 B T T 4 S+ 0 0 45 -2,-0.2 4,-0.3 1,-0.2 -2,-0.0 0.705 120.1 54.8 -67.1 -21.3 46.1 10.3 55.0 460 215 B E T 4 S+ 0 0 149 1,-0.1 4,-0.2 2,-0.1 -1,-0.2 0.840 117.2 28.7 -82.9 -36.1 46.7 8.6 58.4 461 216 B N T > S+ 0 0 42 -3,-0.2 4,-2.0 1,-0.1 3,-0.3 0.569 92.8 92.2-103.1 -8.3 48.4 5.4 57.4 462 217 B C H X S+ 0 0 5 -4,-1.5 4,-2.7 1,-0.2 5,-0.2 0.891 87.6 49.0 -53.8 -44.2 50.2 6.4 54.1 463 218 B S H > S+ 0 0 71 -4,-0.3 4,-1.1 1,-0.2 -1,-0.2 0.872 110.8 48.9 -65.2 -39.1 53.5 7.4 55.9 464 219 B S H 4 S+ 0 0 42 -3,-0.3 4,-0.5 -4,-0.2 -1,-0.2 0.855 114.4 47.4 -70.7 -32.7 53.7 4.2 57.9 465 220 B L H >< S+ 0 0 2 -4,-2.0 3,-1.2 1,-0.2 -2,-0.2 0.935 109.5 50.1 -73.3 -47.7 53.1 2.1 54.7 466 221 B I H 3< S+ 0 0 12 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.731 100.7 67.4 -64.9 -21.4 55.5 3.9 52.4 467 222 B Q T 3< S+ 0 0 157 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.766 77.3 102.8 -70.0 -27.3 58.3 3.5 55.1 468 223 B Q S X S- 0 0 38 -3,-1.2 3,-1.0 -4,-0.5 -44,-0.0 -0.286 79.8-121.8 -60.4 143.8 58.4 -0.3 54.6 469 224 B E T 3 S+ 0 0 146 1,-0.2 -1,-0.1 3,-0.0 -3,-0.0 0.843 105.1 35.0 -53.8 -48.5 61.3 -1.7 52.6 470 225 B D T 3 S+ 0 0 19 -43,-0.1 2,-0.7 -20,-0.0 -1,-0.2 0.252 93.9 95.9 -97.6 12.3 59.4 -3.5 49.8 471 226 B I < + 0 0 0 -3,-1.0 -19,-0.2 -6,-0.2 3,-0.1 -0.904 45.2 176.2-104.4 109.2 56.5 -1.1 49.4 472 227 B D - 0 0 3 -21,-2.7 -221,-1.9 -2,-0.7 2,-0.3 0.268 57.5 -52.3 -98.5 11.9 57.3 1.4 46.6 473 228 B G E -k 251 0E 0 -22,-0.4 -20,-2.2 -223,-0.2 2,-0.3 -0.947 60.8 -89.1 147.9-169.2 54.0 3.4 46.5 474 229 B F E -kq 252 453E 0 -223,-1.0 -221,-2.6 -2,-0.3 2,-0.6 -0.921 6.3-138.2-141.3 166.0 50.2 2.9 46.3 475 230 B L E -k 253 0E 8 -22,-1.7 2,-0.3 -2,-0.3 -221,-0.2 -0.952 41.2-154.9-120.3 97.6 47.1 2.6 44.0 476 231 B V E -k 254 0E 1 -223,-2.8 -221,-2.9 -2,-0.6 -20,-0.1 -0.596 15.3-174.6 -84.4 141.6 44.6 4.8 46.0 477 232 B G > - 0 0 19 -2,-0.3 3,-2.2 -22,-0.2 4,-0.3 0.545 68.2 -1.6 -99.1-113.8 40.9 4.4 45.8 478 233 B N G > S+ 0 0 87 1,-0.3 3,-1.6 2,-0.2 -20,-0.1 0.772 124.9 63.5 -53.6 -32.3 38.2 6.7 47.4 479 234 B A G > S+ 0 0 19 -22,-0.3 3,-1.2 1,-0.3 -1,-0.3 0.751 91.6 66.3 -66.5 -21.9 40.9 9.0 49.0 480 235 B S G < S+ 0 0 0 -3,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.575 90.3 65.8 -75.3 -8.4 42.1 10.0 45.5 481 236 B L G < S+ 0 0 49 -3,-1.6 2,-0.3 -4,-0.3 -1,-0.3 0.152 92.9 79.6 -95.4 14.1 38.7 11.7 45.0 482 237 B K S X S- 0 0 105 -3,-1.2 3,-1.8 1,-0.1 4,-0.2 -0.906 85.7-121.0-123.9 155.2 39.4 14.2 47.7 483 238 B E T > S+ 0 0 134 -2,-0.3 3,-1.5 1,-0.3 4,-0.2 0.847 109.3 69.5 -57.2 -36.1 41.5 17.4 47.8 484 239 B S T >> + 0 0 50 1,-0.3 3,-1.6 2,-0.2 4,-0.7 0.519 69.4 95.5 -63.6 -5.4 43.6 15.8 50.6 485 240 B F H X> S+ 0 0 3 -3,-1.8 4,-1.5 1,-0.3 3,-0.9 0.811 72.7 67.5 -56.7 -29.5 45.0 13.3 48.0 486 241 B V H <> S+ 0 0 23 -3,-1.5 4,-2.0 1,-0.3 -1,-0.3 0.839 93.1 58.0 -60.9 -32.3 48.0 15.8 47.7 487 242 B D H <> S+ 0 0 84 -3,-1.6 4,-0.9 1,-0.2 -1,-0.3 0.797 104.2 51.8 -68.3 -27.7 49.0 14.9 51.3 488 243 B I H << S+ 0 0 1 -3,-0.9 4,-0.3 -4,-0.7 -1,-0.2 0.842 108.3 50.9 -76.1 -32.2 49.2 11.3 50.2 489 244 B I H >< S+ 0 0 0 -4,-1.5 3,-1.5 1,-0.2 -2,-0.2 0.883 105.0 58.3 -70.7 -35.8 51.5 12.3 47.3 490 245 B K H >< S+ 0 0 112 -4,-2.0 3,-1.9 1,-0.3 -1,-0.2 0.804 91.5 68.0 -65.3 -28.3 53.7 14.2 49.7 491 246 B S T 3< S+ 0 0 34 -4,-0.9 -1,-0.3 1,-0.3 -2,-0.2 0.668 101.0 50.2 -66.6 -14.9 54.4 11.2 51.8 492 247 B A T < 0 0 6 -3,-1.5 -1,-0.3 -4,-0.3 -242,-0.2 0.192 360.0 360.0-107.4 13.6 56.4 9.8 48.9 493 248 B M < 0 0 151 -3,-1.9 -211,-0.0 -211,-0.0 -216,-0.0 -0.787 360.0 360.0 -98.4 360.0 58.5 12.9 48.3