==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 10-JUN-02 1LYX . COMPND 2 MOLECULE: TRIOSEPHOSPHATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; . AUTHOR S.PARTHASARATHY,H.BALARAM,P.BALARAM,M.R.MURTHY . 246 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11843.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 172 69.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 14.6 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 . 16 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 78 31.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.0 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 3 3 1 0 0 1 0 0 2 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 1 2 1 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 . 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 3 A R 0 0 119 0, 0.0 2,-0.4 0, 0.0 201,-0.1 0.000 360.0 360.0 360.0 159.0 1.0 5.2 14.5 2 4 A K - 0 0 76 199,-0.2 33,-0.1 1,-0.1 32,-0.1 -0.549 360.0-123.0 -72.6 123.8 4.0 7.6 14.1 3 5 A Y E -a 35 0A 76 31,-0.6 33,-2.3 -2,-0.4 2,-0.4 -0.262 25.5-151.7 -62.7 155.2 6.5 6.4 11.5 4 6 A F E -ab 36 226A 0 221,-2.1 223,-1.4 31,-0.2 2,-0.5 -0.995 14.1-175.1-137.1 126.9 10.1 6.0 12.8 5 7 A V E -ab 37 227A 0 31,-2.7 33,-2.1 -2,-0.4 2,-0.5 -0.978 9.2-167.7-126.4 119.5 13.3 6.3 10.8 6 8 A A E -ab 38 228A 0 221,-2.9 223,-3.3 -2,-0.5 2,-0.7 -0.912 12.2-153.1-113.7 132.1 16.6 5.5 12.4 7 9 A A E -ab 39 229A 0 31,-3.3 33,-2.9 -2,-0.5 2,-0.9 -0.887 10.3-170.0-101.1 111.8 20.1 6.3 11.1 8 10 A N E -a 40 0A 5 221,-2.9 225,-0.2 -2,-0.7 3,-0.1 -0.852 6.6-177.6-104.6 97.2 22.6 3.8 12.5 9 11 A W - 0 0 3 31,-1.4 3,-0.4 -2,-0.9 -1,-0.1 0.569 20.3-170.1 -70.5 -7.3 26.0 5.2 11.5 10 12 A K - 0 0 26 30,-0.4 2,-1.2 1,-0.2 -1,-0.2 -0.173 61.1 -18.2 49.4-141.2 27.7 2.1 13.0 11 13 A C S S+ 0 0 115 -3,-0.1 2,-0.3 30,-0.1 -1,-0.2 -0.481 110.2 104.4 -95.8 66.7 31.5 2.5 13.3 12 14 A N + 0 0 82 -2,-1.2 30,-0.4 -3,-0.4 2,-0.1 -0.969 37.9 65.6-142.6 157.4 32.0 5.3 10.8 13 15 A G - 0 0 36 -2,-0.3 2,-0.3 28,-0.1 3,-0.0 -0.226 41.0-136.4 116.8 155.1 32.7 9.1 10.7 14 16 A T > - 0 0 79 -2,-0.1 4,-2.3 1,-0.1 5,-0.3 -0.896 42.1 -99.9-137.5 162.5 35.2 11.8 11.5 15 17 A L H > S+ 0 0 97 -2,-0.3 4,-1.3 1,-0.2 -1,-0.1 0.893 124.7 44.2 -54.1 -38.9 34.5 15.2 13.0 16 18 A E H > S+ 0 0 124 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.916 110.5 50.5 -74.1 -44.6 34.5 16.7 9.5 17 19 A S H > S+ 0 0 54 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.857 111.1 51.9 -62.7 -32.5 32.4 14.1 7.7 18 20 A I H X S+ 0 0 1 -4,-2.3 4,-3.0 2,-0.2 5,-0.3 0.877 106.3 53.2 -70.5 -37.2 29.8 14.5 10.5 19 21 A K H X S+ 0 0 100 -4,-1.3 4,-1.5 -5,-0.3 -2,-0.2 0.930 111.7 45.7 -63.5 -43.2 29.7 18.3 10.1 20 22 A S H X S+ 0 0 68 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.916 116.3 45.7 -65.9 -42.8 29.1 17.9 6.4 21 23 A L H X S+ 0 0 16 -4,-2.1 4,-2.3 2,-0.2 3,-0.3 0.940 110.5 50.3 -67.7 -48.7 26.4 15.2 6.9 22 24 A T H X S+ 0 0 2 -4,-3.0 4,-2.8 1,-0.2 32,-0.2 0.853 105.4 61.2 -59.3 -32.4 24.5 16.9 9.7 23 25 A N H X S+ 0 0 98 -4,-1.5 4,-0.9 -5,-0.3 -1,-0.2 0.929 106.6 43.0 -59.1 -48.2 24.4 20.0 7.5 24 26 A S H >X S+ 0 0 25 -4,-1.3 3,-0.6 -3,-0.3 4,-0.6 0.906 113.2 53.0 -65.0 -42.4 22.5 18.2 4.8 25 27 A F H >< S+ 0 0 0 -4,-2.3 3,-1.4 1,-0.2 -2,-0.2 0.908 104.4 55.7 -59.7 -43.9 20.2 16.6 7.4 26 28 A N H 3< S+ 0 0 23 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.770 97.3 65.2 -61.8 -25.4 19.4 20.0 9.0 27 29 A N H << S+ 0 0 128 -4,-0.9 2,-0.5 -3,-0.6 -1,-0.3 0.713 78.8 96.9 -71.5 -19.7 18.2 21.3 5.6 28 30 A L S << S- 0 0 15 -3,-1.4 2,-0.8 -4,-0.6 -3,-0.0 -0.592 70.1-144.7 -74.8 121.7 15.3 18.8 5.5 29 31 A D + 0 0 142 -2,-0.5 2,-0.3 2,-0.0 -2,-0.1 -0.781 38.3 146.2 -89.4 111.9 12.1 20.5 6.7 30 32 A F - 0 0 14 -2,-0.8 213,-0.0 5,-0.0 26,-0.0 -0.986 49.2-115.2-146.0 155.3 10.0 18.0 8.7 31 33 A D >> - 0 0 83 -2,-0.3 3,-2.1 1,-0.1 4,-1.2 -0.822 15.9-160.9 -96.5 109.3 7.7 18.0 11.6 32 34 A P T 34 S+ 0 0 58 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.585 90.3 63.7 -63.6 -11.8 9.0 15.9 14.6 33 35 A S T 34 S+ 0 0 74 1,-0.1 3,-0.1 3,-0.1 -2,-0.0 0.490 111.2 37.4 -90.6 -1.9 5.5 15.6 16.1 34 36 A K T <4 S+ 0 0 152 -3,-2.1 -31,-0.6 1,-0.3 2,-0.3 0.534 126.6 27.4-118.4 -17.5 4.5 13.7 13.0 35 37 A L E < -a 3 0A 5 -4,-1.2 2,-0.5 -33,-0.1 -1,-0.3 -0.987 67.5-138.1-150.6 135.9 7.6 11.6 12.4 36 38 A D E +a 4 0A 19 -33,-2.3 -31,-2.7 -2,-0.3 2,-0.5 -0.839 21.1 180.0 -96.6 127.3 10.4 10.3 14.6 37 39 A V E -a 5 0A 1 -2,-0.5 21,-2.9 19,-0.4 2,-0.4 -0.963 6.0-177.0-129.6 113.7 13.9 10.6 13.1 38 40 A V E -ac 6 58A 0 -33,-2.1 -31,-3.3 -2,-0.5 2,-0.4 -0.924 11.7-158.5-117.4 134.9 16.8 9.3 15.3 39 41 A V E -ac 7 59A 0 19,-2.4 21,-1.6 -2,-0.4 -31,-0.2 -0.934 1.7-162.5-113.2 132.1 20.5 9.4 14.6 40 42 A F E +a 8 0A 0 -33,-2.9 -31,-1.4 -2,-0.4 -30,-0.4 -0.852 15.6 178.9-116.8 94.1 22.9 7.0 16.4 41 43 A P - 0 0 0 0, 0.0 21,-0.5 0, 0.0 5,-0.1 -0.354 43.7 -76.4 -86.7 171.4 26.5 8.2 16.1 42 44 A V >> - 0 0 31 -30,-0.4 3,-2.4 19,-0.1 4,-0.6 -0.386 50.9-108.3 -64.3 146.8 29.5 6.4 17.6 43 45 A S G >4 S+ 0 0 78 1,-0.3 3,-1.6 2,-0.2 4,-0.4 0.870 119.4 49.7 -44.3 -52.4 29.7 7.0 21.4 44 46 A V G 34 S+ 0 0 124 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.564 111.3 53.3 -68.0 -6.2 32.7 9.3 21.3 45 47 A H G <> S+ 0 0 28 -3,-2.4 4,-2.5 2,-0.1 -1,-0.3 0.452 81.0 96.7-104.7 -4.6 30.9 11.3 18.6 46 48 A Y H S+ 0 0 126 -4,-0.4 4,-1.7 1,-0.2 -1,-0.2 0.911 115.6 49.3 -58.6 -44.9 28.2 15.3 22.0 48 50 A H H > S+ 0 0 52 -4,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.912 115.3 43.5 -60.6 -45.6 29.6 16.6 18.7 49 51 A T H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.907 110.4 53.7 -68.9 -44.1 26.6 15.2 16.7 50 52 A R H < S+ 0 0 70 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.862 111.2 48.7 -59.9 -35.2 23.9 16.3 19.2 51 53 A K H < S+ 0 0 177 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.897 113.4 44.3 -71.9 -42.6 25.3 19.8 19.0 52 54 A L H < S+ 0 0 44 -4,-1.7 2,-0.2 -5,-0.1 -2,-0.2 0.831 100.7 80.1 -72.6 -34.1 25.4 20.0 15.2 53 55 A L S < S- 0 0 5 -4,-2.5 -30,-0.1 -5,-0.1 -31,-0.0 -0.532 85.8-115.9 -78.5 138.3 22.0 18.4 14.7 54 56 A Q > - 0 0 99 -2,-0.2 3,-2.4 -32,-0.2 -1,-0.1 -0.345 31.3-104.6 -70.4 155.5 18.9 20.6 15.1 55 57 A S T 3 S+ 0 0 119 1,-0.3 -1,-0.1 -4,-0.1 -2,-0.1 0.647 113.9 75.3 -55.8 -18.2 16.4 19.7 17.9 56 58 A K T 3 S+ 0 0 31 -30,-0.1 2,-0.4 2,-0.0 -19,-0.4 0.753 87.6 75.5 -67.1 -21.5 14.0 18.2 15.4 57 59 A F S < S- 0 0 1 -3,-2.4 2,-0.2 -7,-0.1 -19,-0.2 -0.752 74.8-148.4 -92.9 136.5 16.3 15.2 15.3 58 60 A S E -c 38 0A 20 -21,-2.9 -19,-2.4 -2,-0.4 2,-0.3 -0.633 16.0-157.8 -95.7 159.9 16.5 12.8 18.2 59 61 A T E +c 39 0A 2 -21,-0.2 29,-1.3 -2,-0.2 28,-0.7 -0.914 17.0 159.9-137.0 164.5 19.7 11.0 19.0 60 62 A G E -d 88 0A 0 -21,-1.6 2,-0.3 -2,-0.3 29,-0.2 -0.926 34.6 -93.0-164.0-175.2 20.9 7.9 20.8 61 63 A I E -d 89 0A 10 27,-1.9 29,-1.7 -2,-0.3 -19,-0.1 -0.853 25.1-125.5-117.3 155.3 23.7 5.4 21.3 62 64 A Q S S+ 0 0 49 -21,-0.5 2,-0.3 -2,-0.3 31,-0.2 0.460 87.2 7.2 -77.6 -3.7 24.4 2.1 19.5 63 65 A N - 0 0 34 28,-0.1 2,-0.3 29,-0.1 28,-0.1 -0.968 57.9-162.4-170.6 157.6 24.7 -0.1 22.6 64 66 A V - 0 0 1 -2,-0.3 13,-0.2 26,-0.2 2,-0.1 -0.971 31.7 -96.9-146.7 156.3 24.2 0.0 26.4 65 67 A S - 0 0 1 11,-3.1 13,-0.3 -2,-0.3 48,-0.1 -0.390 10.7-145.4 -77.2 153.1 25.4 -2.2 29.2 66 68 A K S S+ 0 0 66 -2,-0.1 2,-0.2 11,-0.1 -1,-0.1 0.544 86.7 68.5 -89.9 -8.7 23.4 -5.0 30.8 67 69 A F S S- 0 0 76 1,-0.2 11,-0.5 9,-0.1 -2,-0.1 -0.496 83.0-122.6-101.1 172.5 25.0 -4.1 34.1 68 70 A G - 0 0 35 1,-0.3 -1,-0.2 -2,-0.2 2,-0.1 -0.111 57.9 -44.5 -97.7-158.6 24.6 -0.9 36.2 69 71 A N S S+ 0 0 105 -2,-0.1 2,-0.3 2,-0.1 -1,-0.3 -0.420 96.1 76.6 -67.1 145.8 27.3 1.5 37.3 70 72 A G S S- 0 0 58 -3,-0.1 2,-1.9 2,-0.1 7,-0.1 -0.989 88.6 -13.0 152.8-160.0 30.4 -0.3 38.6 71 73 A S S S+ 0 0 120 -2,-0.3 2,-0.2 1,-0.1 -2,-0.1 -0.523 79.3 121.9 -81.6 77.8 33.5 -2.2 37.6 72 74 A Y > - 0 0 99 -2,-1.9 3,-2.1 3,-0.1 -1,-0.1 -0.641 52.7-150.0-138.7 74.3 32.8 -2.9 34.0 73 75 A T T 3 S+ 0 0 147 1,-0.3 3,-0.1 -2,-0.2 -2,-0.1 -0.152 78.6 16.2 -48.2 131.1 35.6 -1.4 32.0 74 76 A G T 3 S+ 0 0 75 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.342 100.1 114.1 87.0 -6.6 34.6 -0.2 28.5 75 77 A E < - 0 0 82 -3,-2.1 2,-0.5 -11,-0.0 -1,-0.3 -0.633 54.5-145.5-101.2 157.4 30.8 -0.3 29.1 76 78 A V - 0 0 52 -2,-0.2 -11,-3.1 -3,-0.1 2,-0.1 -0.985 21.4-145.7-120.8 120.0 28.2 2.5 29.2 77 79 A S > - 0 0 5 -2,-0.5 4,-1.9 -13,-0.2 -9,-0.1 -0.438 21.5-118.6 -84.7 160.2 25.4 2.1 31.7 78 80 A A H > S+ 0 0 0 -11,-0.5 4,-2.4 -13,-0.3 5,-0.2 0.836 115.3 58.3 -64.2 -34.1 21.8 3.2 31.3 79 81 A E H > S+ 0 0 50 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.913 106.2 47.8 -62.6 -42.6 22.2 5.4 34.3 80 82 A I H > S+ 0 0 76 2,-0.2 4,-1.3 1,-0.2 -2,-0.2 0.895 110.6 52.1 -64.4 -41.1 25.1 7.3 32.6 81 83 A A H <>S+ 0 0 0 -4,-1.9 5,-2.5 1,-0.2 3,-0.4 0.923 109.4 48.9 -62.4 -44.2 23.0 7.6 29.4 82 84 A K H ><5S+ 0 0 72 -4,-2.4 3,-1.5 1,-0.2 -1,-0.2 0.875 105.1 57.9 -64.2 -36.9 20.1 9.1 31.3 83 85 A D H 3<5S+ 0 0 134 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.847 110.2 45.1 -61.5 -32.0 22.4 11.6 33.1 84 86 A L T 3<5S- 0 0 89 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.398 114.3-120.4 -90.7 2.0 23.4 12.8 29.7 85 87 A N T < 5 + 0 0 131 -3,-1.5 2,-0.4 1,-0.2 -3,-0.2 0.803 48.7 169.9 62.2 30.5 19.7 12.9 28.5 86 88 A I < - 0 0 8 -5,-2.5 -1,-0.2 1,-0.2 -26,-0.1 -0.630 19.2-159.9 -72.1 125.1 20.5 10.4 25.7 87 89 A E + 0 0 70 -28,-0.7 33,-2.5 -2,-0.4 2,-0.3 0.883 58.6 29.0 -80.7 -40.0 17.0 9.5 24.5 88 90 A Y E -de 60 120A 8 -29,-1.3 -27,-1.9 31,-0.2 2,-0.3 -0.837 52.6-168.8-124.4 161.1 17.4 6.2 22.6 89 91 A V E -de 61 121A 0 31,-1.5 33,-2.6 -2,-0.3 2,-0.4 -0.988 21.1-131.9-142.1 145.7 19.6 3.1 22.7 90 92 A I E - e 0 122A 2 -29,-1.7 2,-0.4 -2,-0.3 -26,-0.2 -0.854 27.2-169.4 -98.6 136.1 19.8 0.2 20.1 91 93 A I E + e 0 123A 1 31,-3.4 33,-2.9 -2,-0.4 -28,-0.1 -0.988 58.2 6.9-130.6 137.3 19.7 -3.3 21.6 92 94 A G S S+ 0 0 1 -2,-0.4 5,-0.1 31,-0.2 -1,-0.1 0.646 72.1 176.1 75.9 16.4 20.4 -6.7 20.1 93 95 A H >> - 0 0 11 -31,-0.2 3,-1.7 29,-0.1 4,-1.6 -0.244 41.5-115.1 -54.9 140.1 21.7 -5.5 16.7 94 96 A F H 3> S+ 0 0 37 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.836 113.4 58.8 -43.7 -44.7 22.9 -8.4 14.6 95 97 A E H 3>>S+ 0 0 51 1,-0.2 4,-1.7 2,-0.2 5,-0.8 0.800 106.6 47.0 -62.2 -29.1 26.5 -7.2 14.7 96 98 A R H <45S+ 0 0 66 -3,-1.7 6,-1.6 3,-0.2 4,-0.3 0.836 113.7 47.5 -81.6 -31.1 26.6 -7.4 18.5 97 99 A R H <5S+ 0 0 43 -4,-1.6 -2,-0.2 4,-0.2 -1,-0.2 0.858 121.3 39.0 -73.7 -35.5 25.0 -10.9 18.5 98 100 A K H <5S+ 0 0 109 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.984 126.9 24.8 -78.7 -66.2 27.4 -12.0 15.8 99 101 A Y T <5S+ 0 0 141 -4,-1.7 2,-0.3 -5,-0.2 -3,-0.2 0.799 131.7 40.1 -73.2 -30.8 30.9 -10.6 16.4 100 102 A F S - 0 0 54 -2,-0.3 4,-2.2 1,-0.0 3,-0.5 -0.577 40.5 -94.7-111.9 175.7 22.4 -13.5 23.5 104 106 A D H > S+ 0 0 33 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.809 126.4 58.9 -60.1 -29.5 18.7 -13.2 24.0 105 107 A E H > S+ 0 0 115 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.889 106.3 46.3 -66.5 -39.3 19.5 -13.1 27.8 106 108 A D H > S+ 0 0 25 -3,-0.5 4,-2.3 2,-0.2 -2,-0.2 0.889 110.2 54.9 -69.2 -38.7 21.7 -10.1 27.3 107 109 A V H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.917 109.9 45.2 -61.1 -44.6 19.0 -8.4 25.1 108 110 A R H X S+ 0 0 68 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.892 113.7 48.7 -69.5 -37.3 16.4 -8.8 27.8 109 111 A E H X S+ 0 0 82 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.856 111.6 49.9 -70.2 -34.4 18.7 -7.6 30.6 110 112 A K H X S+ 0 0 6 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.854 111.5 48.8 -71.3 -34.8 19.8 -4.6 28.6 111 113 A L H X S+ 0 0 0 -4,-1.8 4,-2.8 -5,-0.2 5,-0.3 0.909 109.8 51.5 -70.3 -41.3 16.1 -3.7 27.8 112 114 A Q H X S+ 0 0 102 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.909 111.4 48.0 -61.0 -41.3 15.2 -4.0 31.5 113 115 A A H X S+ 0 0 14 -4,-1.8 4,-1.0 2,-0.2 -1,-0.2 0.864 113.2 48.5 -66.7 -37.7 18.0 -1.7 32.4 114 116 A S H <>S+ 0 0 0 -4,-1.8 5,-3.0 2,-0.2 3,-0.5 0.937 112.9 44.6 -69.2 -49.6 17.0 0.8 29.7 115 117 A L H ><5S+ 0 0 34 -4,-2.8 3,-1.6 1,-0.2 -2,-0.2 0.855 109.0 59.2 -63.3 -34.7 13.3 1.0 30.6 116 118 A K H 3<5S+ 0 0 166 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.827 110.0 42.7 -62.6 -33.0 14.3 1.2 34.3 117 119 A N T 3<5S- 0 0 29 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.075 120.2-109.2-102.2 22.1 16.2 4.4 33.5 118 120 A N T < 5 + 0 0 120 -3,-1.6 2,-0.3 1,-0.2 -3,-0.2 0.813 67.9 148.3 55.0 36.7 13.5 5.7 31.2 119 121 A L < - 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0 0 61 -2,-0.2 4,-2.4 1,-0.1 5,-0.3 -0.411 27.7-107.6 -74.9 157.3 10.8 -7.8 -0.9 176 178 A P H > S+ 0 0 27 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.903 121.7 51.7 -50.7 -41.4 7.8 -5.8 0.4 177 179 A E H > S+ 0 0 117 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.912 109.4 48.1 -61.3 -48.4 5.8 -9.1 0.4 178 180 A Q H > S+ 0 0 48 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.950 115.6 43.5 -58.0 -53.7 8.4 -11.0 2.5 179 181 A A H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.924 110.9 54.6 -59.4 -48.5 8.8 -8.2 5.1 180 182 A Q H X S+ 0 0 21 -4,-2.7 4,-2.4 -5,-0.3 5,-0.2 0.917 106.2 52.8 -53.3 -47.2 5.1 -7.6 5.4 181 183 A L H X S+ 0 0 106 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.936 112.8 43.4 -54.3 -52.2 4.4 -11.3 6.1 182 184 A V H X S+ 0 0 6 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.918 113.0 51.4 -61.9 -46.2 6.9 -11.3 8.9 183 185 A H H X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.867 108.1 53.0 -60.1 -37.2 5.8 -8.0 10.4 184 186 A K H X S+ 0 0 85 -4,-2.4 4,-1.5 -5,-0.2 -1,-0.2 0.908 110.0 47.7 -64.3 -42.1 2.2 -9.1 10.4 185 187 A E H X S+ 0 0 57 -4,-1.8 4,-1.7 -5,-0.2 -2,-0.2 0.869 109.8 53.3 -67.6 -36.9 3.2 -12.3 12.4 186 188 A I H X S+ 0 0 1 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.935 108.9 48.0 -63.7 -46.6 5.2 -10.2 14.8 187 189 A R H X S+ 0 0 14 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.830 109.1 54.6 -64.6 -31.5 2.3 -7.9 15.6 188 190 A K H X S+ 0 0 111 -4,-1.5 4,-2.8 2,-0.2 -1,-0.2 0.870 105.5 52.8 -69.2 -36.3 0.0 -10.9 16.1 189 191 A I H X S+ 0 0 23 -4,-1.7 4,-1.7 2,-0.2 5,-0.2 0.913 112.7 44.3 -62.8 -44.2 2.5 -12.3 18.6 190 192 A V H X>S+ 0 0 0 -4,-1.9 4,-3.3 2,-0.2 5,-1.3 0.912 112.1 52.8 -66.3 -44.8 2.3 -9.0 20.5 191 193 A K H X5S+ 0 0 82 -4,-2.7 4,-1.0 3,-0.2 -2,-0.2 0.953 113.9 42.4 -55.1 -53.4 -1.4 -8.8 20.2 192 194 A D H <5S+ 0 0 112 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.753 124.3 34.8 -69.0 -26.8 -1.9 -12.3 21.6 193 195 A T H <5S+ 0 0 63 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.745 136.0 17.5 -99.7 -26.9 0.7 -12.0 24.4 194 196 A C H <5S- 0 0 40 -4,-3.3 -3,-0.2 -5,-0.2 2,-0.2 0.719 113.1 -86.7-115.0 -33.7 0.2 -8.3 25.4 195 197 A G X< - 0 0 21 -5,-1.3 4,-2.3 -4,-1.0 -1,-0.2 -0.493 29.1 -94.8 135.5 155.3 -3.1 -7.1 24.0 196 198 A E H > S+ 0 0 99 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.903 119.9 51.5 -68.7 -42.8 -4.6 -5.6 20.8 197 199 A K H > S+ 0 0 155 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.935 113.1 46.7 -58.8 -46.8 -4.3 -2.0 21.8 198 200 A Q H >> S+ 0 0 57 1,-0.2 4,-1.5 2,-0.2 3,-1.1 0.934 110.7 52.2 -59.6 -49.4 -0.6 -2.5 22.6 199 201 A A H 3< S+ 0 0 2 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.857 108.0 51.9 -57.3 -38.5 -0.0 -4.4 19.4 200 202 A N H 3< S+ 0 0 82 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.662 111.6 46.0 -76.2 -14.7 -1.6 -1.6 17.3 201 203 A Q H << S+ 0 0 59 -3,-1.1 2,-0.3 -4,-0.8 -1,-0.2 0.673 89.0 95.8-101.5 -17.4 0.6 1.2 18.9 202 204 A I S < S- 0 0 0 -4,-1.5 2,-0.4 -5,-0.1 -46,-0.1 -0.532 71.3-129.4 -79.0 135.5 4.0 -0.5 18.8 203 205 A R - 0 0 12 -45,-0.5 -43,-2.5 -48,-0.4 2,-0.5 -0.667 18.9-168.6 -85.0 134.2 6.3 0.4 15.9 204 206 A I E -g 160 0A 0 -2,-0.4 21,-2.8 -45,-0.2 22,-0.4 -0.969 12.4-169.5-123.8 111.5 7.8 -2.5 13.9 205 207 A L E -g 161 0A 0 -45,-3.3 -43,-3.0 -2,-0.5 2,-0.4 -0.616 16.5-130.7-100.9 161.5 10.6 -1.3 11.5 206 208 A Y E -gh 162 227A 0 20,-2.2 22,-1.5 -2,-0.2 2,-0.4 -0.901 22.8-174.5-110.3 139.7 12.4 -3.2 8.8 207 209 A G E + h 0 228A 1 -45,-2.3 -40,-0.1 -2,-0.4 22,-0.1 -0.997 35.1 92.7-135.1 139.6 16.2 -3.1 8.6 208 210 A G S S- 0 0 8 20,-0.6 -34,-0.4 -2,-0.4 -40,-0.2 0.294 97.2 -21.4 137.9 90.5 18.4 -4.5 5.9 209 211 A S S S+ 0 0 28 1,-0.2 2,-0.3 -36,-0.1 -36,-0.2 0.833 75.6 170.9 59.4 39.6 19.7 -2.7 2.8 210 212 A V + 0 0 6 18,-0.3 22,-0.3 -4,-0.1 2,-0.2 -0.631 8.5 165.7 -78.7 135.2 17.1 -0.0 2.7 211 213 A N > - 0 0 58 -2,-0.3 4,-1.8 20,-0.1 3,-0.1 -0.812 52.8 -85.0-140.0-178.1 17.9 2.7 0.2 212 214 A T T 4 S+ 0 0 46 -2,-0.2 4,-0.3 1,-0.2 -2,-0.0 0.720 122.8 50.5 -64.5 -22.5 16.3 5.6 -1.7 213 215 A E T 4 S+ 0 0 156 1,-0.1 4,-0.3 2,-0.1 -1,-0.2 0.838 118.9 30.3 -87.1 -35.2 15.0 3.3 -4.4 214 216 A N T > S+ 0 0 34 -3,-0.1 4,-1.5 1,-0.1 -2,-0.2 0.598 95.6 86.5-100.9 -12.5 13.2 0.6 -2.3 215 217 A C H X S+ 0 0 3 -4,-1.8 4,-2.4 1,-0.2 5,-0.2 0.860 84.7 56.6 -57.5 -40.2 12.1 2.6 0.8 216 218 A S H > S+ 0 0 70 -4,-0.3 4,-1.2 1,-0.2 -1,-0.2 0.948 107.9 45.5 -59.0 -51.6 8.8 3.8 -0.7 217 219 A S H 4 S+ 0 0 62 -4,-0.3 4,-0.5 1,-0.2 -1,-0.2 0.830 114.5 50.3 -62.5 -32.2 7.5 0.4 -1.5 218 220 A L H >< S+ 0 0 1 -4,-1.5 3,-1.4 1,-0.2 6,-0.2 0.941 108.1 48.6 -72.3 -49.2 8.5 -0.9 1.9 219 221 A I H 3< S+ 0 0 9 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.731 100.6 69.0 -64.9 -21.1 7.0 1.8 4.1 220 222 A Q T 3< S+ 0 0 145 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.780 76.2 104.7 -69.1 -25.4 3.7 1.4 2.1 221 223 A Q S X S- 0 0 52 -3,-1.4 3,-1.5 -4,-0.5 -44,-0.0 -0.310 80.9-121.8 -60.9 137.4 3.1 -2.0 3.7 222 224 A E T 3 S+ 0 0 151 1,-0.3 -1,-0.1 3,-0.0 -3,-0.0 0.747 106.5 35.1 -50.8 -35.4 0.5 -2.1 6.4 223 225 A D T 3 S+ 0 0 13 -20,-0.0 2,-0.7 2,-0.0 -1,-0.3 0.320 92.7 94.9-108.2 9.1 2.7 -3.4 9.2 224 226 A I < + 0 0 0 -3,-1.5 -19,-0.2 -6,-0.2 3,-0.1 -0.901 46.9 179.7-101.8 115.5 6.0 -1.8 8.3 225 227 A D - 0 0 2 -21,-2.8 -221,-2.1 -2,-0.7 2,-0.3 0.276 56.7 -55.5-101.2 10.9 6.3 1.4 10.4 226 228 A G E -b 4 0A 0 -22,-0.4 -20,-2.2 -223,-0.2 2,-0.3 -0.969 62.5 -85.6 147.3-162.9 9.7 2.7 9.3 227 229 A F E -bh 5 206A 0 -223,-1.4 -221,-2.9 -2,-0.3 2,-0.6 -0.966 6.9-134.2-147.7 164.1 13.3 1.5 9.1 228 230 A L E -bh 6 207A 7 -22,-1.5 -20,-0.6 -2,-0.3 2,-0.5 -0.980 39.0-161.0-112.1 110.6 16.7 1.1 10.7 229 231 A V E +b 7 0A 1 -223,-3.3 -221,-2.9 -2,-0.6 -22,-0.1 -0.871 17.7 170.9-106.0 127.8 19.0 2.4 8.0 230 232 A G S > S+ 0 0 18 -2,-0.5 3,-2.2 -223,-0.2 4,-0.3 0.728 70.1 9.8 -94.7-103.2 22.7 1.5 7.9 231 233 A N G > S+ 0 0 112 1,-0.3 3,-1.5 2,-0.2 4,-0.1 0.803 124.0 60.0 -52.1 -35.9 25.0 2.3 5.0 232 234 A A G > S+ 0 0 19 -22,-0.3 3,-0.9 1,-0.3 -1,-0.3 0.701 95.8 64.5 -68.5 -17.0 22.5 4.5 3.3 233 235 A S G < S+ 0 0 0 -3,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.515 88.5 67.5 -83.6 -5.1 22.4 6.7 6.4 234 236 A L G < S+ 0 0 53 -3,-1.5 2,-0.3 -4,-0.3 -1,-0.2 0.340 92.2 79.3 -93.0 5.8 26.1 7.7 5.8 235 237 A K S X S- 0 0 133 -3,-0.9 3,-1.9 1,-0.1 4,-0.2 -0.862 83.9-126.0-115.9 150.3 25.1 9.6 2.7 236 238 A E T > S+ 0 0 114 -2,-0.3 3,-1.5 1,-0.3 4,-0.1 0.789 107.7 70.2 -62.2 -26.7 23.5 13.0 2.2 237 239 A S T >> + 0 0 49 1,-0.3 3,-2.1 2,-0.1 4,-0.6 0.577 69.4 95.8 -68.3 -6.7 20.8 11.3 0.1 238 240 A F H X> + 0 0 0 -3,-1.9 4,-1.6 1,-0.3 3,-1.1 0.816 68.7 73.5 -53.0 -29.2 19.5 9.8 3.3 239 241 A V H <> S+ 0 0 23 -3,-1.5 4,-2.2 1,-0.3 -1,-0.3 0.821 88.2 58.8 -56.7 -31.7 17.1 12.7 3.4 240 242 A D H <> S+ 0 0 76 -3,-2.1 4,-1.4 2,-0.2 -1,-0.3 0.830 102.0 53.8 -68.3 -29.9 15.1 11.1 0.6 241 243 A I H << S+ 0 0 0 -3,-1.1 4,-0.5 -4,-0.6 -1,-0.2 0.906 108.3 49.5 -69.1 -39.7 14.5 8.0 2.7 242 244 A I H >< S+ 0 0 0 -4,-1.6 3,-1.5 1,-0.2 4,-0.2 0.914 106.8 56.9 -63.6 -40.8 13.1 10.3 5.5 243 245 A K H >< S+ 0 0 101 -4,-2.2 3,-1.7 1,-0.3 -1,-0.2 0.843 95.0 64.4 -59.0 -35.5 10.9 11.9 2.9 244 246 A S T 3< S+ 0 0 32 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.710 103.1 50.4 -62.2 -19.3 9.3 8.6 2.0 245 247 A A T < 0 0 9 -3,-1.5 -1,-0.3 -4,-0.5 -242,-0.2 0.402 360.0 360.0 -99.9 1.0 7.9 8.4 5.5 246 248 A M < 0 0 130 -3,-1.7 -2,-0.2 -4,-0.2 -3,-0.1 0.764 360.0 360.0-110.3 360.0 6.4 11.9 5.6