==== 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 18-MAR-04 1SQ7 . COMPND 2 MOLECULE: TRIOSEPHOSPHATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR I.KURSULA,M.SALIN,J.SUN,B.V.NORLEDGE,A.M.HAAPALAINEN,N.S.SAM . 494 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20203.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 348 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 75 15.2 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 . 46 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 151 30.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 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 6 6 2 0 0 0 0 1 5 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 1 7 2 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 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 0 140 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -44.5 -4.7 53.7 8.0 2 3 A P - 0 0 124 0, 0.0 2,-0.5 0, 0.0 199,-0.0 -0.456 360.0-111.5 -75.8 154.2 -1.0 52.9 8.9 3 4 A R - 0 0 48 -2,-0.1 2,-0.1 200,-0.1 3,-0.1 -0.769 36.0-112.9 -88.1 126.0 0.0 49.2 9.4 4 5 A K - 0 0 104 -2,-0.5 32,-0.1 198,-0.2 -1,-0.1 -0.354 34.6-106.1 -62.9 130.0 0.9 48.5 13.1 5 6 A F E -a 36 0A 13 30,-0.8 32,-3.0 -2,-0.1 2,-0.5 -0.321 39.0-160.9 -57.6 135.2 4.6 47.8 13.6 6 7 A F E +ab 37 227A 0 220,-2.1 222,-1.2 30,-0.2 2,-0.6 -0.965 15.2 179.3-132.5 112.3 5.1 44.0 14.2 7 8 A V E -ab 38 228A 0 30,-2.4 32,-1.7 -2,-0.5 2,-0.3 -0.955 6.8-176.0-115.2 111.2 8.1 42.5 15.8 8 9 A G E -ab 39 229A 1 220,-3.1 222,-2.8 -2,-0.6 2,-0.5 -0.820 14.7-147.2-100.7 148.1 8.1 38.7 16.3 9 10 A G E -ab 40 230A 1 30,-2.5 32,-2.7 -2,-0.3 2,-0.9 -0.875 4.7-159.5-123.4 95.4 10.9 36.9 18.1 10 11 A N E -a 41 0A 2 220,-2.0 224,-0.3 -2,-0.5 225,-0.1 -0.643 9.7-178.3 -75.2 102.4 11.7 33.4 16.8 11 12 A W - 0 0 1 30,-1.9 -1,-0.2 -2,-0.9 31,-0.1 0.720 21.6-169.7 -71.5 -22.3 13.6 31.7 19.7 12 13 A K - 0 0 35 29,-0.5 2,-1.5 1,-0.2 -1,-0.2 -0.273 59.7 -21.4 61.3-150.1 13.9 28.5 17.5 13 14 A M B S+I 319 0B 0 306,-1.4 306,-1.8 312,-0.1 2,-0.3 -0.626 106.4 121.6 -89.5 79.3 15.2 25.4 19.4 14 15 A N + 0 0 33 -2,-1.5 304,-0.1 304,-0.2 -3,-0.0 -1.000 43.4 5.2-146.0 140.4 16.9 27.3 22.2 15 16 A G - 0 0 25 -2,-0.3 2,-0.2 4,-0.0 220,-0.0 0.044 48.9-113.9 93.0 171.5 16.8 27.6 26.0 16 17 A D > - 0 0 62 316,-0.0 4,-3.1 30,-0.0 5,-0.5 -0.831 46.6 -80.8-137.2 175.1 15.4 26.2 29.2 17 18 A K H > S+ 0 0 69 -2,-0.2 4,-0.8 1,-0.2 5,-0.1 0.836 128.7 46.7 -48.1 -39.4 13.0 27.4 32.0 18 19 A K H > S+ 0 0 155 2,-0.2 4,-1.7 3,-0.2 -1,-0.2 0.956 118.1 37.7 -70.5 -53.1 15.9 29.3 33.7 19 20 A S H > S+ 0 0 45 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.877 120.9 45.8 -70.3 -39.6 17.4 31.0 30.6 20 21 A L H X S+ 0 0 1 -4,-3.1 4,-2.2 2,-0.2 -1,-0.2 0.708 109.0 58.8 -71.5 -24.7 13.9 31.7 29.1 21 22 A G H X S+ 0 0 21 -4,-0.8 4,-1.8 -5,-0.5 -2,-0.2 0.888 108.3 43.2 -70.0 -41.9 12.8 32.9 32.5 22 23 A E H X S+ 0 0 116 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.835 113.4 53.5 -70.6 -36.0 15.6 35.6 32.5 23 24 A L H X S+ 0 0 17 -4,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.953 111.7 43.9 -61.5 -51.9 14.8 36.5 28.9 24 25 A I H X S+ 0 0 3 -4,-2.2 4,-2.0 1,-0.2 31,-0.2 0.850 109.9 56.6 -62.9 -38.4 11.1 37.0 29.7 25 26 A H H X S+ 0 0 146 -4,-1.8 4,-1.3 1,-0.2 -1,-0.2 0.863 106.5 50.2 -62.9 -37.6 11.9 39.0 32.9 26 27 A T H X S+ 0 0 65 -4,-1.6 4,-0.7 -3,-0.2 -1,-0.2 0.881 111.8 47.0 -68.3 -42.0 14.0 41.5 30.9 27 28 A L H < S+ 0 0 5 -4,-1.6 -2,-0.2 1,-0.2 3,-0.2 0.832 109.7 54.1 -67.6 -35.9 11.2 42.0 28.3 28 29 A N H < S+ 0 0 38 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.817 114.9 39.6 -68.3 -33.2 8.5 42.5 31.0 29 30 A G H < S+ 0 0 71 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.498 97.2 103.0 -94.6 -7.5 10.6 45.2 32.8 30 31 A A S < S- 0 0 25 -4,-0.7 2,-1.4 -3,-0.2 -3,-0.0 -0.351 82.0-110.5 -77.9 157.3 11.7 46.9 29.6 31 32 A K - 0 0 192 -2,-0.1 2,-0.3 213,-0.0 -1,-0.1 -0.701 46.9-177.4 -87.7 86.0 10.3 50.1 28.1 32 33 A L - 0 0 19 -2,-1.4 2,-0.1 -5,-0.2 209,-0.1 -0.673 29.3-106.5 -90.6 143.2 8.6 48.7 25.1 33 34 A S > - 0 0 23 -2,-0.3 3,-0.8 1,-0.1 -1,-0.1 -0.368 13.2-141.6 -69.8 143.3 6.8 51.0 22.5 34 35 A A T 3 S+ 0 0 86 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.0 0.700 100.8 62.9 -75.2 -21.5 3.0 50.9 22.5 35 36 A D T 3 S+ 0 0 103 2,-0.0 -30,-0.8 -31,-0.0 2,-0.5 0.467 90.8 82.9 -81.4 -5.0 3.1 51.2 18.7 36 37 A T E < -a 5 0A 11 -3,-0.8 2,-0.7 -32,-0.1 -30,-0.2 -0.905 68.9-147.5-107.7 126.3 4.9 47.8 18.4 37 38 A E E -a 6 0A 53 -32,-3.0 -30,-2.4 -2,-0.5 2,-0.4 -0.834 23.2-161.5 -86.6 112.5 3.0 44.5 18.5 38 39 A V E +a 7 0A 7 -2,-0.7 21,-2.6 19,-0.4 2,-0.4 -0.837 13.2 177.1-101.3 136.2 5.5 42.1 20.1 39 40 A V E -ac 8 59A 2 -32,-1.7 -30,-2.5 -2,-0.4 2,-0.6 -0.996 17.7-146.6-138.6 131.2 5.1 38.3 19.8 40 41 A C E -ac 9 60A 0 19,-2.3 21,-2.8 -2,-0.4 2,-1.2 -0.880 5.3-149.8-105.0 120.5 7.5 35.6 21.2 41 42 A G E -ac 10 61A 1 -32,-2.7 -30,-1.9 -2,-0.6 -29,-0.5 -0.702 27.5-178.9 -87.0 89.2 8.0 32.4 19.2 42 43 A A E - c 0 62A 0 -2,-1.2 21,-0.5 19,-1.1 5,-0.1 -0.531 33.7 -95.9 -89.8 154.3 8.7 29.8 22.0 43 44 A P > - 0 0 1 0, 0.0 3,-1.8 0, 0.0 4,-0.2 -0.348 40.7-110.5 -62.2 151.6 9.5 26.1 21.6 44 45 A S G > S+ 0 0 14 1,-0.3 3,-1.4 2,-0.2 4,-0.4 0.847 116.2 57.0 -57.9 -40.9 6.4 23.8 22.0 45 46 A I G 3 S+ 0 0 4 1,-0.2 251,-0.3 2,-0.1 -1,-0.3 0.639 115.3 38.7 -65.1 -16.8 7.6 22.3 25.3 46 47 A Y G <> S+ 0 0 0 -3,-1.8 4,-2.1 2,-0.1 -1,-0.2 0.163 85.4 100.9-116.9 14.5 7.8 25.9 26.8 47 48 A L H <> S+ 0 0 1 -3,-1.4 4,-2.1 2,-0.2 5,-0.1 0.932 86.3 44.2 -66.6 -48.6 4.7 27.5 25.2 48 49 A D H > S+ 0 0 18 -4,-0.4 4,-1.9 245,-0.3 -1,-0.2 0.934 115.3 49.0 -57.6 -51.0 2.5 27.2 28.3 49 50 A F H > S+ 0 0 25 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.866 110.8 50.5 -58.5 -41.2 5.3 28.4 30.6 50 51 A A H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.895 108.3 51.4 -67.7 -42.2 6.0 31.4 28.3 51 52 A R H < S+ 0 0 50 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.878 112.4 47.3 -63.4 -38.2 2.3 32.5 28.2 52 53 A Q H < S+ 0 0 128 -4,-1.9 -2,-0.2 -5,-0.1 -1,-0.2 0.960 118.0 39.0 -66.0 -52.3 2.2 32.4 32.1 53 54 A K H < S+ 0 0 121 -4,-2.2 -2,-0.2 -5,-0.1 -3,-0.2 0.877 101.2 81.8 -69.9 -42.4 5.4 34.3 32.7 54 55 A L S < S- 0 0 6 -4,-2.6 -29,-0.1 -5,-0.2 6,-0.0 -0.404 88.0-107.2 -69.3 140.7 5.1 36.9 29.9 55 56 A D > - 0 0 70 -31,-0.2 3,-1.4 1,-0.1 -1,-0.1 -0.248 31.2-109.6 -61.7 153.6 2.9 40.0 30.4 56 57 A A T 3 S+ 0 0 95 1,-0.3 -1,-0.1 -4,-0.1 -2,-0.1 0.786 113.3 67.0 -58.9 -32.0 -0.4 40.1 28.6 57 58 A K T 3 S+ 0 0 140 2,-0.1 2,-0.6 -20,-0.0 -19,-0.4 0.764 91.3 70.3 -62.6 -28.3 0.8 42.9 26.2 58 59 A I S < S- 0 0 2 -3,-1.4 -19,-0.2 -21,-0.1 -21,-0.1 -0.845 82.1-140.1 -93.0 121.5 3.3 40.5 24.6 59 60 A G E -c 39 0A 16 -21,-2.6 -19,-2.3 -2,-0.6 2,-0.4 -0.228 8.5-134.4 -71.8 165.9 1.7 37.8 22.4 60 61 A V E -c 40 0A 0 -21,-0.2 29,-1.4 26,-0.2 28,-1.0 -0.987 18.3-167.6-127.0 137.7 2.9 34.2 22.2 61 62 A A E -cd 41 89A 0 -21,-2.8 -19,-1.1 -2,-0.4 29,-0.3 -0.969 19.4-131.6-128.0 137.6 3.4 32.1 19.1 62 63 A A E -cd 42 90A 0 27,-1.7 29,-2.5 -2,-0.4 3,-0.1 -0.534 18.5-137.5 -73.2 152.1 4.0 28.4 18.4 63 64 A Q S S- 0 0 4 -21,-0.5 2,-0.3 1,-0.3 31,-0.2 0.548 79.6 -8.5 -88.8 -10.1 6.9 27.8 16.0 64 65 A N + 0 0 13 259,-0.1 -1,-0.3 28,-0.1 2,-0.3 -0.905 61.0 178.7-178.8 150.0 5.0 25.1 14.1 65 66 A C - 0 0 0 -2,-0.3 13,-0.2 26,-0.1 2,-0.1 -0.932 26.6-104.9-150.1 177.1 1.8 23.0 14.1 66 67 A Y - 0 0 9 11,-2.1 -2,-0.0 -2,-0.3 7,-0.0 -0.452 30.9-107.9-103.8 179.0 -0.2 20.4 12.1 67 68 A K S S+ 0 0 65 -2,-0.1 11,-0.1 11,-0.1 -1,-0.0 0.350 92.7 48.9 -95.8 0.4 -3.3 20.6 9.8 68 69 A V S S- 0 0 46 1,-0.1 -2,-0.2 3,-0.0 12,-0.1 -0.917 77.6-122.2-133.4 162.7 -6.0 18.8 12.0 69 70 A P S S- 0 0 52 0, 0.0 2,-0.3 0, 0.0 9,-0.2 0.890 90.1 -0.8 -72.3 -40.5 -7.1 19.2 15.6 70 71 A K S S+ 0 0 146 192,-0.1 2,-0.3 7,-0.1 192,-0.2 -0.945 78.2 102.5-145.3 164.1 -6.4 15.6 16.6 71 72 A G B S-J 261 0C 21 190,-1.7 2,-1.9 -2,-0.3 190,-1.4 -0.911 72.6 -40.7 151.6-176.4 -5.2 12.3 15.2 72 73 A A S S+ 0 0 47 -2,-0.3 2,-0.2 188,-0.2 188,-0.1 -0.520 81.0 121.2 -82.6 71.5 -2.5 9.7 14.7 73 74 A F > - 0 0 44 -2,-1.9 3,-1.8 3,-0.1 -1,-0.1 -0.675 49.6-156.8-138.2 76.2 0.4 12.1 14.2 74 75 A T T 3 S+ 0 0 0 1,-0.2 3,-0.1 -2,-0.2 -2,-0.0 -0.266 77.7 23.2 -55.9 135.2 2.9 11.3 16.9 75 76 A G T 3 S+ 0 0 22 1,-0.3 2,-0.3 237,-0.1 -1,-0.2 0.333 101.3 108.7 89.9 -5.0 5.2 14.3 17.7 76 77 A E < - 0 0 7 -3,-1.8 2,-0.3 235,-0.1 -1,-0.3 -0.759 50.5-155.0-108.8 150.9 2.8 16.9 16.4 77 78 A I - 0 0 9 -2,-0.3 -11,-2.1 -13,-0.1 184,-0.1 -0.870 13.8-140.3-116.8 155.2 0.7 19.6 18.1 78 79 A S >> - 0 0 1 -2,-0.3 4,-1.5 -13,-0.2 3,-0.7 -0.684 26.8-108.9-110.9 163.2 -2.5 21.2 16.8 79 80 A P H 3> S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.806 117.3 63.1 -56.1 -32.6 -3.9 24.8 16.9 80 81 A A H 3> S+ 0 0 36 1,-0.2 4,-1.1 2,-0.2 -10,-0.1 0.814 105.2 45.7 -63.8 -33.1 -6.5 23.6 19.4 81 82 A M H <> S+ 0 0 3 -3,-0.7 4,-1.2 2,-0.2 -1,-0.2 0.860 111.4 51.0 -74.6 -40.4 -3.7 22.8 21.9 82 83 A I H <>S+ 0 0 0 -4,-1.5 5,-1.8 1,-0.2 -2,-0.2 0.854 112.3 47.6 -63.8 -36.7 -1.9 26.1 21.2 83 84 A K H ><5S+ 0 0 103 -4,-2.2 3,-1.2 1,-0.2 -1,-0.2 0.834 105.8 60.5 -71.1 -34.7 -5.3 27.9 21.8 84 85 A D H 3<5S+ 0 0 60 -4,-1.1 -2,-0.2 1,-0.3 -1,-0.2 0.776 103.8 47.9 -66.8 -30.9 -5.8 25.8 25.0 85 86 A I T 3<5S- 0 0 9 -4,-1.2 -1,-0.3 -3,-0.1 -2,-0.2 0.311 123.7-100.2 -93.6 7.5 -2.6 27.1 26.7 86 87 A G T < 5S+ 0 0 44 -3,-1.2 2,-0.2 1,-0.3 -3,-0.2 0.488 74.8 137.8 92.0 4.6 -3.4 30.8 25.9 87 88 A A < - 0 0 5 -5,-1.8 -1,-0.3 1,-0.1 -26,-0.1 -0.611 33.3-167.6 -82.3 146.0 -1.2 31.5 22.8 88 89 A A + 0 0 55 -28,-1.0 33,-1.9 -2,-0.2 2,-0.3 0.321 60.8 53.3-115.9 4.9 -2.8 33.5 19.9 89 90 A W E -de 61 121A 21 -29,-1.4 -27,-1.7 31,-0.2 2,-0.3 -0.867 51.9-163.4-136.3 168.5 -0.2 33.0 17.0 90 91 A V E -de 62 122A 0 31,-1.0 33,-2.4 -2,-0.3 2,-0.6 -0.948 18.1-136.4-154.1 137.1 1.7 30.3 15.0 91 92 A I E + e 0 123A 2 -29,-2.5 2,-0.3 -2,-0.3 33,-0.2 -0.843 32.4 178.4 -94.2 121.8 4.8 30.5 12.7 92 93 A L E + e 0 124A 1 31,-1.9 33,-2.4 -2,-0.6 -28,-0.1 -0.948 54.6 19.2-129.1 147.6 4.2 28.5 9.5 93 94 A G S S+ 0 0 0 -2,-0.3 -1,-0.1 31,-0.2 5,-0.1 0.653 74.0 175.1 71.3 18.3 6.4 27.8 6.4 94 95 A H >> - 0 0 6 -31,-0.2 4,-1.7 1,-0.1 3,-1.0 -0.257 42.9-115.5 -55.1 144.1 9.6 28.9 8.2 95 96 A S H 3> S+ 0 0 15 1,-0.3 4,-2.1 2,-0.2 5,-0.3 0.798 115.5 56.0 -54.5 -34.4 12.6 28.3 5.9 96 97 A E H 3>>S+ 0 0 17 2,-0.2 4,-1.3 1,-0.2 5,-0.9 0.811 106.6 48.5 -69.2 -34.7 14.0 25.7 8.3 97 98 A R H <45S+ 0 0 4 -3,-1.0 6,-1.9 3,-0.2 4,-0.3 0.841 114.7 47.9 -69.0 -35.9 10.8 23.6 8.2 98 99 A R H <5S+ 0 0 41 -4,-1.7 -2,-0.2 4,-0.2 -1,-0.2 0.857 123.7 28.6 -72.1 -39.4 10.9 23.9 4.4 99 100 A H H <5S+ 0 0 145 -4,-2.1 3,-0.3 -5,-0.2 -3,-0.2 0.931 127.7 34.4 -92.6 -57.5 14.5 22.9 3.9 100 101 A V T <5S+ 0 0 54 -4,-1.3 -3,-0.2 -5,-0.3 -2,-0.1 0.898 133.4 28.6 -68.0 -42.3 15.5 20.7 6.9 101 102 A F S - 0 0 56 -2,-0.5 4,-2.2 1,-0.1 5,-0.2 -0.298 22.1-109.6 -85.1 166.4 5.9 21.6 0.9 105 106 A D H > S+ 0 0 54 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.838 119.6 53.1 -60.9 -35.2 3.8 24.6 -0.3 106 107 A E H > S+ 0 0 150 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.943 109.0 46.2 -67.2 -51.3 0.7 22.4 -0.2 107 108 A L H > S+ 0 0 30 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.873 113.4 50.7 -59.0 -40.5 1.3 21.2 3.4 108 109 A I H X S+ 0 0 1 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.884 110.0 49.9 -65.2 -39.7 2.0 24.8 4.5 109 110 A G H X S+ 0 0 1 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.858 110.8 49.3 -66.0 -37.8 -1.2 26.0 2.8 110 111 A Q H X S+ 0 0 74 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.856 112.2 48.9 -66.1 -39.1 -3.2 23.3 4.5 111 112 A K H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.862 110.1 50.7 -69.1 -39.4 -1.7 24.3 7.8 112 113 A V H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 5,-0.2 0.899 109.4 51.4 -65.9 -43.4 -2.5 28.0 7.3 113 114 A A H X S+ 0 0 33 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.915 114.3 42.7 -58.9 -47.8 -6.1 27.1 6.4 114 115 A H H X S+ 0 0 30 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.903 112.0 53.1 -67.9 -43.9 -6.5 25.1 9.6 115 116 A A H <>S+ 0 0 0 -4,-2.4 5,-1.8 1,-0.2 -2,-0.2 0.910 112.3 44.7 -60.7 -44.5 -4.7 27.6 11.9 116 117 A L H ><5S+ 0 0 30 -4,-2.2 3,-1.1 1,-0.2 -1,-0.2 0.878 111.6 52.2 -67.0 -40.3 -6.9 30.5 10.8 117 118 A A H 3<5S+ 0 0 86 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.826 105.6 55.7 -66.9 -31.8 -10.2 28.6 11.0 118 119 A E T 3<5S- 0 0 58 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.444 125.2-102.1 -80.8 -2.8 -9.3 27.5 14.6 119 120 A G T < 5S+ 0 0 34 -3,-1.1 -3,-0.2 1,-0.3 -2,-0.1 0.359 77.4 131.1 102.1 -4.0 -8.9 31.2 15.6 120 121 A L < - 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0 0 10 -21,-2.1 -220,-2.0 -2,-0.7 2,-0.3 0.072 58.3 -51.1-105.6 20.9 7.4 -7.7 27.4 475 228 B G E -l 254 0D 0 -22,-0.3 -20,-2.4 -222,-0.2 2,-0.3 -0.953 64.5 -78.8 141.2-165.2 4.7 -5.1 27.3 476 229 B F E -lr 255 455D 0 -222,-1.4 -220,-2.6 -2,-0.3 2,-0.5 -0.942 3.6-145.8-138.7 156.2 3.0 -2.6 25.0 477 230 B L E -l 256 0D 7 -22,-2.0 2,-0.3 -2,-0.3 -220,-0.2 -0.931 41.5-153.8-115.2 99.8 3.1 0.7 23.3 478 231 B V E -l 257 0D 0 -222,-2.8 -220,-1.8 -2,-0.5 -20,-0.1 -0.604 15.9-173.6 -86.6 132.0 -0.6 1.6 23.4 479 232 B G > - 0 0 15 -22,-0.4 3,-2.1 -2,-0.3 4,-0.2 0.638 69.4 -3.4 -86.9-118.9 -2.2 3.9 20.9 480 233 B G G > S+ 0 0 53 1,-0.3 3,-1.6 2,-0.2 4,-0.2 0.767 126.1 62.5 -48.6 -38.4 -5.8 5.1 21.1 481 234 B A G > S+ 0 0 10 -22,-0.3 3,-0.9 1,-0.3 6,-0.4 0.627 85.0 76.1 -69.0 -14.7 -6.7 3.0 24.3 482 235 B S G < S+ 0 0 1 -3,-2.1 -1,-0.3 -224,-0.3 -2,-0.2 0.628 92.3 55.7 -68.7 -14.4 -4.1 4.9 26.3 483 236 B L G < S+ 0 0 58 -3,-1.6 -1,-0.2 -4,-0.2 -2,-0.2 0.564 100.1 72.8 -89.5 -14.6 -6.6 7.8 26.4 484 237 B K S X S- 0 0 119 -3,-0.9 3,-1.5 -4,-0.2 4,-0.2 -0.581 93.7-109.7-100.8 162.2 -9.4 5.7 27.9 485 238 B P T > S+ 0 0 98 0, 0.0 3,-1.3 0, 0.0 4,-0.3 0.637 109.4 76.7 -64.5 -15.1 -9.7 4.3 31.5 486 239 B E T 3> + 0 0 55 1,-0.2 4,-1.5 2,-0.2 3,-0.3 0.528 69.4 84.9 -73.3 -8.6 -9.1 0.7 30.1 487 240 B F H <> S+ 0 0 2 -3,-1.5 4,-1.7 -6,-0.4 -1,-0.2 0.790 83.9 61.3 -58.9 -29.5 -5.3 1.6 29.9 488 241 B V H <> S+ 0 0 21 -3,-1.3 4,-1.8 2,-0.2 -207,-0.2 0.893 101.5 49.9 -61.5 -45.2 -5.3 0.6 33.6 489 242 B D H 4 S+ 0 0 90 -4,-0.3 -2,-0.2 -3,-0.3 6,-0.2 0.845 108.7 53.0 -62.3 -36.0 -6.5 -3.0 32.5 490 243 B I H >< S+ 0 0 0 -4,-1.5 3,-1.2 1,-0.2 -1,-0.2 0.849 106.0 52.5 -70.1 -36.4 -3.7 -3.1 30.0 491 244 B I H 3< S+ 0 0 1 -4,-1.7 3,-0.3 1,-0.3 -1,-0.2 0.895 113.3 45.7 -61.0 -40.7 -1.1 -2.2 32.7 492 245 B N T >< S+ 0 0 32 -4,-1.8 3,-1.6 1,-0.2 -1,-0.3 -0.083 75.6 128.9 -92.8 33.6 -2.5 -5.1 34.7 493 246 B A T < S+ 0 0 5 -3,-1.2 -1,-0.2 1,-0.3 -25,-0.1 0.595 72.7 49.0 -69.1 -13.1 -2.5 -7.5 31.7 494 247 B K T 3 0 0 120 -3,-0.3 -1,-0.3 -26,-0.1 -2,-0.1 0.408 360.0 360.0-103.1 -2.5 -0.6 -10.2 33.6 495 248 B H < 0 0 129 -3,-1.6 -3,-0.1 -6,-0.2 -30,-0.0 -0.177 360.0 360.0-134.0 360.0 -3.0 -10.0 36.7