==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER GLUCONEOGENESIS 17-JUN-97 1AMK . COMPND 2 MOLECULE: TRIOSE PHOSPHATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LEISHMANIA MEXICANA; . AUTHOR J.C.WILLIAMS,R.WIERENGA . 250 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11242.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 181 72.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 37 14.8 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 . 20 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 79 31.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 2 4 1 0 0 0 0 1 2 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 2 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 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 1 A S 0 0 141 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -10.1 34.6 2.7 19.8 2 2 A A + 0 0 103 1,-0.1 0, 0.0 2,-0.0 0, 0.0 0.195 360.0 165.7 82.5 -15.0 34.8 4.5 16.4 3 3 A K - 0 0 54 223,-0.1 2,-0.1 1,-0.1 -1,-0.1 0.602 38.1 -85.7 -17.2 174.2 31.4 3.1 15.3 4 4 A P - 0 0 26 0, 0.0 -1,-0.1 0, 0.0 201,-0.1 -0.476 59.0 -66.5 -94.0 175.1 29.4 4.4 12.4 5 5 A Q - 0 0 58 -2,-0.1 32,-0.2 200,-0.1 2,-0.1 -0.281 62.2-118.8 -56.8 130.0 26.9 7.2 12.3 6 6 A P - 0 0 12 0, 0.0 32,-2.3 0, 0.0 2,-0.4 -0.346 21.0-146.2 -71.3 157.1 23.9 6.2 14.4 7 7 A I E -ab 38 230A 0 222,-2.1 224,-1.9 30,-0.2 2,-0.6 -0.990 12.6-173.3-127.6 129.4 20.4 5.9 13.0 8 8 A A E -ab 39 231A 0 30,-2.4 32,-2.4 -2,-0.4 2,-0.5 -0.960 18.0-173.5-121.1 113.3 17.2 6.6 14.9 9 9 A A E -ab 40 232A 1 222,-2.3 224,-3.3 -2,-0.6 2,-0.5 -0.941 15.5-152.9-117.2 126.0 14.2 5.5 12.8 10 10 A A E -ab 41 233A 0 30,-3.8 32,-4.1 -2,-0.5 2,-0.6 -0.821 8.4-170.5 -90.7 115.2 10.5 6.1 13.5 11 11 A N E -a 42 0A 8 222,-3.7 226,-0.2 -2,-0.5 3,-0.1 -0.913 6.2-178.3-112.3 101.2 8.0 3.5 12.0 12 12 A W > - 0 0 4 30,-2.1 3,-0.7 -2,-0.6 -1,-0.1 0.446 19.9-166.3 -77.3 -0.2 4.5 4.7 12.4 13 13 A K T 3 - 0 0 45 29,-0.3 2,-0.6 1,-0.2 -1,-0.2 -0.138 62.4 -24.1 49.8-133.3 3.1 1.6 10.9 14 14 A C T 3 S+ 0 0 117 -3,-0.1 2,-0.3 30,-0.1 -1,-0.2 -0.473 112.7 98.8-106.1 64.2 -0.5 2.1 10.0 15 15 A N < + 0 0 85 -3,-0.7 29,-0.3 -2,-0.6 2,-0.1 -0.963 34.3 92.5-141.3 162.7 -1.4 4.8 12.4 16 16 A G - 0 0 38 -2,-0.3 2,-0.3 27,-0.1 3,-0.0 -0.265 39.9-145.5 124.0 141.9 -1.9 8.6 12.4 17 17 A T > - 0 0 84 -2,-0.1 4,-2.8 30,-0.0 5,-0.2 -0.871 38.6-109.3-126.1 151.7 -4.6 11.2 11.9 18 18 A T H > S+ 0 0 88 -2,-0.3 4,-2.0 1,-0.3 5,-0.1 0.868 120.0 50.5 -57.2 -28.4 -3.6 14.5 10.2 19 19 A A H > S+ 0 0 48 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.890 109.9 44.5 -75.0 -43.0 -4.1 16.1 13.5 20 20 A S H > S+ 0 0 64 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.826 113.7 53.0 -72.6 -26.8 -2.0 13.9 15.6 21 21 A I H X S+ 0 0 4 -4,-2.8 4,-2.8 1,-0.2 5,-0.3 0.937 106.2 50.9 -69.4 -42.2 0.7 13.9 13.0 22 22 A E H X S+ 0 0 78 -4,-2.0 4,-1.4 -5,-0.2 -1,-0.2 0.864 111.1 52.3 -66.2 -31.1 0.8 17.7 12.9 23 23 A K H X S+ 0 0 93 -4,-1.6 4,-1.4 1,-0.2 -1,-0.2 0.963 112.3 41.7 -69.6 -44.4 1.2 17.5 16.7 24 24 A L H X S+ 0 0 19 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.841 110.4 56.8 -68.6 -35.5 4.1 15.1 16.7 25 25 A V H X S+ 0 0 4 -4,-2.8 4,-2.9 1,-0.2 31,-0.2 0.925 106.0 50.7 -65.5 -42.0 5.9 16.7 13.9 26 26 A Q H X S+ 0 0 105 -4,-1.4 4,-1.6 -5,-0.3 -1,-0.2 0.860 109.3 51.2 -59.7 -36.8 5.9 20.0 15.9 27 27 A V H < S+ 0 0 40 -4,-1.4 4,-0.4 1,-0.2 -2,-0.2 0.960 112.6 47.0 -68.9 -44.6 7.3 18.2 18.9 28 28 A F H >< S+ 0 0 1 -4,-2.8 3,-1.0 1,-0.2 -2,-0.2 0.873 109.2 53.5 -64.4 -38.4 10.1 16.7 16.6 29 29 A N H 3< S+ 0 0 46 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.864 105.5 53.4 -64.4 -33.2 10.9 20.0 15.0 30 30 A E T 3< S+ 0 0 153 -4,-1.6 2,-0.7 -5,-0.2 -1,-0.2 0.554 85.6 99.1 -84.4 4.1 11.4 21.8 18.2 31 31 A H < - 0 0 23 -3,-1.0 2,-0.9 -4,-0.4 -4,-0.0 -0.771 68.5-144.9 -94.4 112.7 13.9 19.2 19.5 32 32 A T - 0 0 113 -2,-0.7 2,-0.7 25,-0.1 -2,-0.1 -0.714 12.9-155.4 -79.0 115.0 17.3 20.4 18.9 33 33 A I - 0 0 15 -2,-0.9 4,-0.1 1,-0.2 -1,-0.0 -0.768 11.6-174.8 -93.6 125.7 19.3 17.5 18.1 34 34 A S + 0 0 77 -2,-0.7 2,-0.2 2,-0.1 -1,-0.2 0.814 50.0 57.6-100.0 -15.9 22.8 18.0 18.9 35 35 A H S S- 0 0 29 1,-0.1 2,-0.9 0, 0.0 215,-0.1 -0.509 92.4 -81.1-104.2 178.1 25.0 15.1 17.8 36 36 A D S S+ 0 0 102 -2,-0.2 2,-0.3 2,-0.0 -2,-0.1 -0.655 74.7 124.1 -77.9 106.6 25.7 13.3 14.5 37 37 A V - 0 0 2 -2,-0.9 2,-0.7 -32,-0.2 -30,-0.2 -0.986 55.2-128.0-155.0 152.4 22.8 10.9 13.9 38 38 A Q E -a 7 0A 39 -32,-2.3 -30,-2.4 -2,-0.3 2,-0.3 -0.924 21.9-158.1-110.9 121.9 20.4 10.4 11.1 39 39 A C E -ac 8 60A 0 20,-2.6 22,-1.8 -2,-0.7 2,-0.4 -0.672 8.5-164.2 -92.3 146.2 16.7 10.4 12.2 40 40 A V E -ac 9 61A 0 -32,-2.4 -30,-3.8 -2,-0.3 2,-0.5 -0.998 8.3-159.0-135.8 136.7 14.3 8.8 9.9 41 41 A V E -ac 10 62A 2 20,-2.5 22,-1.7 -2,-0.4 -30,-0.2 -0.940 2.5-166.5-117.0 109.1 10.4 9.0 9.9 42 42 A A E +a 11 0A 0 -32,-4.1 -30,-2.1 -2,-0.5 -29,-0.3 -0.765 18.3 170.6 -96.3 94.9 8.3 6.3 8.1 43 43 A P - 0 0 0 0, 0.0 22,-0.4 0, 0.0 5,-0.1 -0.432 41.3 -87.5 -92.0 171.0 4.7 7.5 7.7 44 44 A T >> - 0 0 23 -29,-0.3 4,-0.8 -2,-0.1 3,-0.5 -0.346 46.0-101.7 -70.5 163.2 2.0 5.8 5.7 45 45 A F G >4 S+ 0 0 80 1,-0.2 3,-0.9 2,-0.2 -1,-0.1 0.855 119.9 52.5 -55.0 -47.3 1.8 6.6 2.1 46 46 A V G 34 S+ 0 0 119 1,-0.2 4,-0.4 2,-0.1 -1,-0.2 0.847 111.2 48.7 -62.9 -30.7 -1.2 9.0 2.4 47 47 A H G <> S+ 0 0 25 -3,-0.5 4,-1.7 1,-0.2 -1,-0.2 0.505 84.4 91.7 -85.0 -11.1 0.6 11.0 5.1 48 48 A I H S+ 0 0 63 0, 0.0 4,-1.6 0, 0.0 3,-0.3 0.959 109.9 50.8 -69.1 -42.1 3.1 14.7 1.6 50 50 A L H > S+ 0 0 42 -4,-0.4 4,-1.2 1,-0.2 5,-0.2 0.809 111.5 49.5 -58.2 -31.8 1.9 16.2 4.9 51 51 A V H X S+ 0 0 1 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.838 108.4 52.7 -79.8 -28.8 5.2 15.1 6.6 52 52 A Q H < S+ 0 0 71 -4,-1.7 -1,-0.2 -3,-0.3 -2,-0.2 0.806 109.5 49.1 -73.7 -32.0 7.2 16.6 3.8 53 53 A A H < S+ 0 0 44 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.749 124.6 26.6 -84.3 -25.2 5.5 19.9 4.2 54 54 A K H < S+ 0 0 86 -4,-1.2 -2,-0.2 -5,-0.2 2,-0.2 0.789 90.3 97.8-110.1 -28.7 5.9 20.2 7.9 55 55 A L < + 0 0 22 -4,-2.4 -29,-0.1 -5,-0.2 7,-0.0 -0.474 37.1 153.9 -63.3 124.6 8.9 18.2 8.9 56 56 A R + 0 0 152 -31,-0.2 -1,-0.2 -2,-0.2 -30,-0.1 0.473 25.9 117.9-129.3 -15.1 11.6 20.8 9.2 57 57 A N > - 0 0 11 -32,-0.2 3,-1.3 1,-0.2 -28,-0.1 -0.416 60.1-143.4 -62.7 120.7 14.0 19.3 11.7 58 58 A P T 3 S+ 0 0 122 0, 0.0 -1,-0.2 0, 0.0 -29,-0.0 0.663 90.2 63.9 -60.0 -23.6 17.2 18.9 9.7 59 59 A K T 3 S+ 0 0 64 -21,-0.1 -20,-2.6 2,-0.0 2,-0.3 0.564 92.3 95.1 -83.6 5.8 18.6 15.6 11.0 60 60 A Y E < -c 39 0A 19 -3,-1.3 2,-0.3 -22,-0.2 -20,-0.2 -0.761 48.7-179.4-103.7 144.5 15.5 13.9 9.6 61 61 A V E -c 40 0A 28 -22,-1.8 -20,-2.5 -2,-0.3 2,-0.4 -0.847 26.9-124.3-129.0 154.2 14.7 12.1 6.3 62 62 A I E -c 41 0A 24 -2,-0.3 27,-0.6 -22,-0.2 28,-0.4 -0.853 27.0-173.7-101.3 138.6 11.4 10.6 5.3 63 63 A S - 0 0 0 -22,-1.7 28,-0.3 -2,-0.4 2,-0.2 -0.911 23.6-121.7-127.7 157.2 11.3 6.9 4.3 64 64 A A B -d 91 0A 0 26,-2.3 28,-1.7 -2,-0.3 -20,-0.1 -0.600 18.9-130.8 -87.6 166.4 8.4 4.9 2.9 65 65 A E S S- 0 0 43 -22,-0.4 2,-0.3 1,-0.3 30,-0.2 0.548 79.8 -23.6 -91.8 -8.0 7.3 1.8 4.9 66 66 A N + 0 0 6 27,-0.1 2,-0.3 28,-0.1 -1,-0.3 -0.923 64.1 173.6 178.4 172.4 7.4 -0.5 1.8 67 67 A A - 0 0 0 -2,-0.3 2,-0.3 -3,-0.1 12,-0.2 -0.923 29.4-109.2 178.8 171.2 7.1 -0.4 -2.1 68 68 A I B -i 79 0B 29 10,-1.9 12,-2.1 -2,-0.3 3,-0.0 -0.739 30.2-118.4-112.7 159.1 7.3 -2.4 -5.2 69 69 A A S S+ 0 0 24 -2,-0.3 2,-0.4 10,-0.2 -1,-0.1 0.915 85.7 36.1 -67.4 -45.6 10.1 -2.2 -7.7 70 70 A K S S- 0 0 98 10,-0.1 -1,-0.1 9,-0.1 4,-0.1 -0.872 70.7-124.6-121.6 145.9 8.3 -1.1 -10.8 71 71 A S + 0 0 64 -2,-0.4 2,-0.3 2,-0.1 7,-0.1 -0.326 63.8 89.7 -73.0 165.0 5.4 1.0 -11.9 72 72 A G S S- 0 0 65 2,-0.0 2,-1.4 7,-0.0 7,-0.1 -0.991 86.5 -12.0 150.3-153.2 2.7 -0.8 -14.0 73 73 A A S S+ 0 0 99 -2,-0.3 2,-0.3 1,-0.1 -2,-0.1 -0.456 81.9 125.1 -85.2 58.0 -0.5 -2.7 -13.4 74 74 A F > - 0 0 114 -2,-1.4 3,-2.2 3,-0.1 -1,-0.1 -0.501 49.8-152.0-121.7 69.6 -0.3 -3.2 -9.7 75 75 A T T 3 S+ 0 0 144 -2,-0.3 3,-0.1 1,-0.3 -2,-0.1 -0.006 76.2 11.9 -43.0 125.0 -3.5 -1.9 -8.2 76 76 A G T 3 S+ 0 0 78 1,-0.3 -1,-0.3 0, 0.0 2,-0.1 0.178 105.0 102.8 96.4 -25.0 -3.2 -0.6 -4.6 77 77 A E < - 0 0 91 -3,-2.2 2,-0.5 -10,-0.0 -1,-0.3 -0.443 59.8-138.4 -92.2 170.0 0.7 -0.6 -4.4 78 78 A V - 0 0 31 -2,-0.1 -10,-1.9 -3,-0.1 2,-0.2 -0.987 19.5-145.8-128.9 134.3 3.2 2.1 -4.6 79 79 A S B > -i 68 0B 3 -2,-0.5 4,-1.1 -12,-0.2 -10,-0.2 -0.527 20.5-116.0 -99.5 168.4 6.4 1.8 -6.6 80 80 A M H > S+ 0 0 0 -12,-2.1 4,-2.5 2,-0.2 -11,-0.1 0.781 111.9 53.4 -62.5 -44.4 9.9 3.0 -6.2 81 81 A P H > S+ 0 0 43 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.908 109.4 54.2 -65.8 -36.1 10.2 5.3 -9.3 82 82 A I H > S+ 0 0 88 1,-0.2 4,-1.0 2,-0.2 -2,-0.2 0.863 109.1 47.1 -61.5 -35.5 7.0 6.9 -7.9 83 83 A L H <>S+ 0 0 5 -4,-1.1 5,-2.0 2,-0.2 4,-0.3 0.913 109.2 52.5 -78.6 -32.9 8.8 7.5 -4.7 84 84 A K H ><5S+ 0 0 92 -4,-2.5 3,-2.9 1,-0.2 -2,-0.2 0.973 107.4 51.8 -62.5 -51.1 11.9 8.9 -6.2 85 85 A D H 3<5S+ 0 0 150 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.798 110.1 52.4 -47.5 -34.9 9.8 11.4 -8.3 86 86 A I T 3<5S- 0 0 72 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.393 118.9-112.6 -88.2 2.8 8.2 12.4 -5.0 87 87 A G T < 5S+ 0 0 53 -3,-2.9 2,-0.6 1,-0.3 -3,-0.2 0.481 76.1 128.9 81.9 3.1 11.5 13.0 -3.3 88 88 A V < + 0 0 1 -5,-2.0 -1,-0.3 -6,-0.2 -2,-0.2 -0.821 23.5 164.9 -89.9 123.4 11.3 10.0 -0.9 89 89 A H + 0 0 82 -27,-0.6 33,-2.3 -2,-0.6 2,-0.3 0.109 47.9 72.9-133.0 27.9 14.5 8.0 -1.1 90 90 A W E - e 0 122A 8 -28,-0.4 -26,-2.3 31,-0.2 2,-0.3 -0.941 55.1-179.9-130.9 153.9 14.6 5.7 1.9 91 91 A V E -de 64 123A 0 31,-1.1 33,-2.0 -2,-0.3 2,-0.5 -0.973 25.5-135.9-156.4 147.1 12.4 2.7 2.3 92 92 A I E - e 0 124A 3 -28,-1.7 2,-0.3 -2,-0.3 33,-0.2 -0.904 33.3-175.2 -98.8 127.1 11.9 -0.0 5.0 93 93 A L E + e 0 125A 1 31,-2.0 33,-2.6 -2,-0.5 -27,-0.1 -0.906 55.7 16.7-128.2 155.9 11.6 -3.6 3.3 94 94 A G S S+ 0 0 1 -2,-0.3 -1,-0.1 1,-0.2 -28,-0.1 0.777 75.3 175.0 54.8 33.1 10.9 -7.2 4.6 95 95 A H >> - 0 0 9 -30,-0.2 3,-2.0 -3,-0.1 4,-1.6 -0.419 43.7-108.2 -65.0 142.0 9.5 -5.7 7.9 96 96 A S H 3> S+ 0 0 16 1,-0.3 4,-3.4 2,-0.2 5,-0.2 0.809 115.8 56.6 -35.9 -49.4 8.2 -8.6 9.9 97 97 A E H 3> S+ 0 0 41 1,-0.2 4,-2.7 2,-0.2 5,-0.4 0.752 109.0 48.9 -60.5 -32.0 4.5 -7.9 9.5 98 98 A R H <> S+ 0 0 60 -3,-2.0 6,-1.6 2,-0.2 4,-1.5 0.913 109.8 50.3 -78.1 -42.9 5.0 -8.0 5.7 99 99 A R H < S+ 0 0 46 -4,-1.6 -2,-0.2 4,-0.2 4,-0.2 0.885 123.4 34.6 -58.9 -43.1 6.9 -11.4 6.0 100 100 A T H < S+ 0 0 93 -4,-3.4 3,-0.3 -5,-0.2 -2,-0.2 0.951 128.1 24.5 -82.2 -48.2 4.0 -12.7 8.1 101 101 A Y H < S+ 0 0 144 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.1 0.661 129.2 33.3 -90.6 -26.2 0.6 -11.1 6.9 102 102 A Y S < S- 0 0 141 -4,-1.5 -1,-0.2 -5,-0.4 -3,-0.1 -0.073 108.0-116.9-127.3 31.7 1.1 -10.2 3.3 103 103 A G + 0 0 53 -3,-0.3 2,-0.7 -4,-0.2 -4,-0.2 0.611 45.2 169.8 35.4 57.8 3.4 -13.0 2.5 104 104 A E - 0 0 11 -6,-1.6 -1,-0.1 -8,-0.1 -2,-0.1 -0.854 17.7-161.0 -93.5 115.7 6.8 -11.5 1.5 105 105 A T > - 0 0 81 -2,-0.7 4,-2.7 1,-0.0 5,-0.3 -0.191 32.2 -95.1 -86.4 172.2 9.5 -14.4 1.4 106 106 A D H > S+ 0 0 55 1,-0.2 4,-4.4 2,-0.2 5,-0.3 0.979 124.7 44.3 -54.9 -59.8 13.3 -14.1 1.5 107 107 A E H > S+ 0 0 106 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.856 114.9 50.6 -49.5 -40.7 13.9 -14.1 -2.2 108 108 A I H > S+ 0 0 57 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.964 115.1 42.5 -64.7 -49.9 11.0 -11.6 -2.7 109 109 A V H X S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.2 -2,-0.2 0.956 112.3 55.1 -58.0 -48.3 12.5 -9.3 0.0 110 110 A A H X S+ 0 0 0 -4,-4.4 4,-1.9 -5,-0.3 -1,-0.2 0.841 109.8 46.7 -56.7 -34.2 15.9 -9.9 -1.5 111 111 A Q H X S+ 0 0 98 -4,-2.0 4,-2.2 -5,-0.3 5,-0.2 0.918 109.3 51.7 -76.6 -41.8 14.5 -8.7 -4.9 112 112 A K H X S+ 0 0 21 -4,-2.8 4,-2.3 1,-0.2 5,-0.2 0.921 112.2 50.1 -58.1 -44.5 12.8 -5.6 -3.5 113 113 A V H X S+ 0 0 0 -4,-3.0 4,-2.4 2,-0.2 -2,-0.2 0.895 109.2 48.6 -59.8 -45.7 16.2 -4.8 -1.8 114 114 A S H X S+ 0 0 14 -4,-1.9 4,-3.5 1,-0.2 -2,-0.2 0.982 114.5 45.8 -60.3 -52.5 18.3 -5.3 -5.0 115 115 A E H X S+ 0 0 56 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.905 111.5 49.5 -58.5 -45.4 16.0 -3.1 -7.0 116 116 A A H <>S+ 0 0 0 -4,-2.3 5,-2.5 2,-0.2 4,-0.3 0.946 112.9 50.5 -60.8 -38.5 15.8 -0.3 -4.4 117 117 A C H ><5S+ 0 0 8 -4,-2.4 3,-2.5 1,-0.3 -2,-0.2 0.978 109.0 49.3 -56.2 -56.3 19.5 -0.5 -4.3 118 118 A K H 3<5S+ 0 0 144 -4,-3.5 -1,-0.3 1,-0.3 -2,-0.2 0.832 107.1 57.3 -51.1 -38.8 19.5 -0.2 -8.0 119 119 A Q T 3<5S- 0 0 25 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.2 0.410 119.5-107.8 -77.9 5.8 17.1 2.8 -7.7 120 120 A G T < 5 + 0 0 46 -3,-2.5 -3,-0.2 -4,-0.3 -2,-0.1 0.644 68.8 149.3 77.5 18.2 19.6 4.7 -5.5 121 121 A F < - 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0 0 25 -3,-0.7 2,-0.3 -4,-0.3 -40,-0.1 -0.743 69.5-129.3-114.2 157.8 23.6 -7.2 -4.1 155 155 A T >> - 0 0 94 -2,-0.3 3,-2.5 1,-0.1 4,-0.9 -0.754 36.5-104.1-100.4 156.1 27.0 -5.9 -5.3 156 156 A K G >4 S+ 0 0 100 1,-0.3 3,-0.5 -2,-0.3 4,-0.2 0.827 124.7 48.7 -47.8 -33.4 29.9 -5.2 -3.0 157 157 A D G >4 S+ 0 0 105 1,-0.2 3,-1.4 2,-0.1 -1,-0.3 0.730 91.9 73.3 -88.0 -10.9 29.0 -1.6 -3.5 158 158 A A G X4 S+ 0 0 11 -3,-2.5 3,-2.4 1,-0.3 4,-0.5 0.785 80.4 77.7 -68.6 -20.8 25.3 -1.8 -2.9 159 159 A W G X< S+ 0 0 12 -4,-0.9 3,-1.1 -3,-0.5 -1,-0.3 0.745 76.3 73.1 -58.5 -26.4 26.1 -2.2 0.8 160 160 A N G < S+ 0 0 98 -3,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.674 103.3 41.3 -63.7 -17.3 26.8 1.5 1.1 161 161 A Q G < S+ 0 0 51 -3,-2.4 -38,-3.7 -4,-0.1 2,-0.3 0.412 99.6 97.8-106.1 -2.4 23.0 2.0 0.8 162 162 A V E < +f 123 0A 5 -3,-1.1 45,-0.5 -4,-0.5 2,-0.4 -0.695 43.5 177.9 -94.0 141.8 22.0 -0.9 3.1 163 163 A V E -f 124 0A 0 -40,-2.0 -38,-2.9 -2,-0.3 2,-0.4 -0.999 18.9-142.1-136.3 136.8 21.1 -0.9 6.7 164 164 A L E -fg 125 208A 0 43,-1.7 45,-3.9 -2,-0.4 2,-0.5 -0.786 8.3-164.6-101.9 138.8 20.0 -3.9 8.7 165 165 A A E -fg 126 209A 0 -40,-2.8 -38,-2.5 -2,-0.4 2,-0.8 -0.972 7.2-158.9-120.7 113.9 17.3 -3.9 11.4 166 166 A Y E +fg 127 210A 1 43,-2.9 45,-1.7 -2,-0.5 -38,-0.2 -0.873 18.5 172.0 -93.9 112.6 17.4 -7.0 13.6 167 167 A E - 0 0 12 -40,-2.9 45,-0.2 -2,-0.8 5,-0.1 -0.899 28.8-139.9-124.6 98.3 14.0 -7.2 15.1 168 168 A P >> - 0 0 0 0, 0.0 3,-2.4 0, 0.0 4,-0.8 -0.455 19.4-132.5 -58.9 123.3 13.4 -10.5 17.1 169 169 A V G >4 S+ 0 0 46 -40,-2.0 3,-0.8 1,-0.3 -39,-0.2 0.858 105.1 58.1 -46.3 -37.7 9.8 -11.3 16.1 170 170 A W G 34 S+ 0 0 43 -41,-0.7 6,-0.3 1,-0.2 -1,-0.3 0.604 104.1 50.8 -69.8 -13.8 9.0 -11.9 19.7 171 171 A A G X> S+ 0 0 0 -3,-2.4 3,-0.8 40,-0.2 2,-0.7 0.545 80.3 109.5-100.4 -6.7 10.0 -8.3 20.8 172 172 A I T << S- 0 0 26 -3,-0.8 -5,-0.0 -4,-0.8 40,-0.0 -0.588 104.9 -23.7 -80.2 118.7 8.0 -6.4 18.2 173 173 A G T 34 S+ 0 0 77 -2,-0.7 -1,-0.3 1,-0.1 -2,-0.1 0.560 114.1 108.2 66.2 10.9 5.1 -4.6 19.9 174 174 A T T <4 S- 0 0 61 -3,-0.8 -2,-0.1 2,-0.1 -3,-0.1 0.721 84.5-124.7 -94.2 -23.3 5.3 -7.1 22.8 175 175 A G S < S+ 0 0 70 -4,-0.6 2,-0.7 1,-0.1 -4,-0.1 0.398 82.0 114.4 92.4 -7.9 6.7 -5.2 25.6 176 176 A K - 0 0 143 -6,-0.3 38,-0.1 -5,-0.1 -1,-0.1 -0.576 49.4-172.0-102.8 70.6 9.3 -7.9 25.6 177 177 A V - 0 0 48 -2,-0.7 2,-0.3 36,-0.3 36,-0.1 -0.120 28.4-110.8 -57.9 149.6 12.6 -6.3 24.7 178 178 A A - 0 0 0 34,-0.4 -1,-0.1 1,-0.1 32,-0.0 -0.680 40.1-109.4 -78.8 139.8 15.8 -8.4 24.0 179 179 A T > - 0 0 57 -2,-0.3 4,-2.6 1,-0.1 3,-0.3 -0.292 30.7-108.7 -63.6 158.1 18.3 -7.8 26.8 180 180 A P H > S+ 0 0 27 0, 0.0 4,-3.2 0, 0.0 5,-0.2 0.881 122.8 56.4 -54.4 -34.7 21.3 -5.7 25.5 181 181 A E H > S+ 0 0 106 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.906 107.9 44.8 -68.0 -42.7 23.3 -8.9 25.8 182 182 A Q H > S+ 0 0 49 -3,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.972 116.6 47.5 -62.4 -49.8 20.9 -10.9 23.5 183 183 A A H >X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 3,-1.4 0.981 111.6 50.5 -50.6 -59.3 20.8 -7.9 21.0 184 184 A Q H 3X S+ 0 0 29 -4,-3.2 4,-1.9 1,-0.3 5,-0.3 0.799 103.7 59.4 -50.1 -37.8 24.6 -7.6 21.1 185 185 A E H 3X S+ 0 0 127 -4,-2.0 4,-1.3 -5,-0.2 -1,-0.3 0.891 108.2 44.3 -66.1 -33.4 25.1 -11.2 20.4 186 186 A V H S+ 0 0 0 -4,-3.7 4,-3.3 1,-0.2 5,-1.3 0.973 112.9 55.3 -56.6 -39.3 29.3 -9.4 6.5 195 195 A S H <5S+ 0 0 32 -4,-3.5 4,-0.3 -5,-0.3 -1,-0.2 0.876 112.9 37.8 -59.3 -43.3 32.9 -9.0 7.4 196 196 A E H <5S+ 0 0 122 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.783 124.3 41.4 -80.3 -28.8 33.9 -12.4 6.1 197 197 A N H <5S+ 0 0 98 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.785 128.9 15.1 -97.9 -18.8 31.7 -12.4 3.2 198 198 A I T <5S- 0 0 33 -4,-3.3 2,-0.2 -5,-0.3 -3,-0.2 0.673 118.8 -60.3-119.1 -32.3 31.8 -8.9 1.8 199 199 A G >< - 0 0 14 -5,-1.3 4,-1.8 -4,-0.3 -1,-0.2 -0.561 29.5-116.3 150.8 145.7 34.7 -7.2 3.2 200 200 A T H > S+ 0 0 103 1,-0.2 4,-1.6 -2,-0.2 -1,-0.1 0.954 117.7 60.6 -64.1 -47.3 36.0 -6.1 6.5 201 201 A D H > S+ 0 0 90 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.855 105.4 46.6 -46.1 -43.4 35.7 -2.6 5.1 202 202 A V H >> S+ 0 0 20 1,-0.2 3,-1.3 2,-0.2 4,-1.3 0.937 106.4 55.3 -66.8 -52.1 31.8 -3.0 4.6 203 203 A A H 3< S+ 0 0 4 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.792 104.2 59.9 -55.6 -28.0 31.1 -4.6 8.1 204 204 A A H 3< S+ 0 0 64 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.779 110.3 35.0 -77.6 -19.8 32.7 -1.6 9.6 205 205 A K H << S+ 0 0 124 -3,-1.3 -1,-0.2 -4,-0.5 -2,-0.2 0.544 89.9 116.5-103.8 -14.6 30.4 1.1 8.2 206 206 A L < - 0 0 6 -4,-1.3 2,-0.5 -202,-0.1 -43,-0.1 -0.366 57.6-146.6 -63.6 128.8 27.2 -1.1 8.3 207 207 A R - 0 0 35 -45,-0.5 -43,-1.7 -2,-0.1 2,-0.5 -0.842 17.6-173.5 -93.1 137.2 24.7 0.4 10.7 208 208 A I E -g 164 0A 0 -2,-0.5 21,-2.4 -45,-0.2 22,-0.4 -0.964 9.2-161.5-133.7 112.6 22.8 -2.5 12.2 209 209 A L E -g 165 0A 0 -45,-3.9 -43,-2.9 -2,-0.5 2,-0.4 -0.598 12.5-136.9 -99.2 163.8 19.9 -1.4 14.3 210 210 A Y E +gh 166 231A 0 20,-2.7 22,-2.1 -2,-0.2 2,-0.3 -0.870 26.8 170.5-108.6 149.6 17.8 -3.2 17.0 211 211 A G E + h 0 232A 0 -45,-1.7 -40,-0.2 -2,-0.4 22,-0.2 -0.985 27.1 100.9-152.2 154.0 14.0 -2.8 17.1 212 212 A G S S- 0 0 5 20,-0.5 -34,-0.4 -2,-0.3 -40,-0.3 0.232 101.0 -17.6 130.9 99.5 11.3 -4.6 19.1 213 213 A S S S+ 0 0 30 1,-0.2 -36,-0.3 -36,-0.1 2,-0.2 0.704 85.0 164.3 55.3 23.0 9.7 -2.9 22.1 214 214 A V + 0 0 7 18,-0.3 22,-0.4 -38,-0.1 2,-0.2 -0.576 9.9 174.5 -71.5 131.2 12.6 -0.3 22.4 215 215 A N >> - 0 0 69 -2,-0.2 4,-2.1 20,-0.1 3,-0.6 -0.734 46.9 -92.1-130.0-178.0 11.7 2.7 24.6 216 216 A A T 34 S+ 0 0 37 1,-0.2 4,-0.5 -2,-0.2 -2,-0.0 0.783 122.5 52.8 -68.1 -26.0 13.4 5.8 26.1 217 217 A A T 34 S+ 0 0 85 1,-0.1 4,-0.3 2,-0.1 -1,-0.2 0.739 119.7 30.7 -84.0 -19.3 14.3 4.0 29.3 218 218 A N T <> S+ 0 0 27 -3,-0.6 4,-2.8 2,-0.1 -2,-0.2 0.608 95.6 83.7-110.5 -16.7 16.1 1.1 27.5 219 219 A A H X S+ 0 0 0 -4,-2.1 4,-3.3 1,-0.2 5,-0.2 0.916 91.5 54.3 -51.8 -48.1 17.5 2.7 24.4 220 220 A A H > S+ 0 0 57 -4,-0.5 4,-2.0 1,-0.3 -1,-0.2 0.873 110.2 42.1 -52.7 -54.6 20.5 3.9 26.4 221 221 A T H 4 S+ 0 0 85 -4,-0.3 4,-0.3 2,-0.2 -1,-0.3 0.910 115.1 53.4 -61.4 -41.3 21.5 0.6 27.8 222 222 A L H >< S+ 0 0 2 -4,-2.8 3,-1.9 1,-0.2 -2,-0.2 0.957 108.4 50.6 -56.6 -52.9 20.8 -0.9 24.3 223 223 A Y H 3< S+ 0 0 26 -4,-3.3 5,-0.3 1,-0.3 -1,-0.2 0.827 92.3 72.6 -57.0 -39.3 23.1 1.7 22.7 224 224 A A T 3< S+ 0 0 84 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.652 74.8 100.3 -52.3 -19.2 26.0 1.2 24.9 225 225 A K S X S- 0 0 64 -3,-1.9 3,-1.0 -4,-0.3 -44,-0.0 -0.477 79.1-126.9 -72.2 143.1 26.7 -2.2 23.2 226 226 A P T 3 S+ 0 0 57 0, 0.0 -1,-0.1 0, 0.0 -223,-0.1 0.652 103.8 40.8 -67.1 -24.9 29.6 -2.0 20.6 227 227 A D T 3 S+ 0 0 23 -224,-0.1 2,-0.6 -20,-0.0 -19,-0.1 0.223 90.5 99.5-113.5 17.9 27.7 -3.5 17.6 228 228 A I < + 0 0 0 -3,-1.0 -19,-0.2 -5,-0.3 3,-0.1 -0.909 44.4 176.9-102.4 112.0 24.4 -1.8 18.2 229 229 A N - 0 0 1 -21,-2.4 -222,-2.1 -2,-0.6 2,-0.3 0.198 53.9 -63.0-103.7 15.5 24.1 1.3 15.9 230 230 A G E -b 7 0A 0 -22,-0.4 -20,-2.7 -224,-0.2 2,-0.4 -0.938 59.8 -69.6 142.6-164.6 20.6 2.5 16.6 231 231 A F E -bh 8 210A 0 -224,-1.9 -222,-2.3 -2,-0.3 2,-0.6 -0.940 3.4-147.3-143.3 161.5 17.1 1.6 16.5 232 232 A L E -bh 9 211A 2 -22,-2.1 -20,-0.5 -2,-0.4 2,-0.4 -0.991 37.6-165.6-122.0 113.0 14.0 0.9 14.5 233 233 A V E +b 10 0A 2 -224,-3.3 -222,-3.7 -2,-0.6 -18,-0.1 -0.914 21.0 165.6-116.0 134.0 11.1 2.1 16.7 234 234 A G S > S+ 0 0 17 -2,-0.4 3,-2.3 -224,-0.2 4,-0.4 0.716 74.7 20.3-104.2 -92.8 7.4 1.4 16.4 235 235 A G G > S+ 0 0 62 1,-0.3 3,-1.3 2,-0.2 -20,-0.1 0.791 123.4 53.0 -51.7 -40.3 5.1 2.1 19.3 236 236 A A G > S+ 0 0 21 -22,-0.4 3,-0.8 1,-0.3 -1,-0.3 0.538 96.3 70.5 -76.2 -7.9 7.4 4.6 21.1 237 237 A S G < S+ 0 0 0 -3,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.577 83.4 67.7 -87.1 -5.6 7.8 6.5 18.0 238 238 A L G < S+ 0 0 57 -3,-1.3 -1,-0.2 -4,-0.4 -2,-0.1 0.308 100.3 70.0 -91.2 15.7 4.2 7.8 18.2 239 239 A K S X S- 0 0 100 -3,-0.8 3,-2.5 1,-0.0 4,-0.2 -0.932 89.1-113.7-135.5 158.8 5.3 9.7 21.3 240 240 A P T > S+ 0 0 41 0, 0.0 3,-1.8 0, 0.0 4,-0.3 0.687 106.6 77.0 -58.1 -24.7 7.3 12.7 22.4 241 241 A E T >> + 0 0 97 1,-0.3 3,-1.5 2,-0.2 4,-1.1 0.638 69.6 86.0 -63.0 -16.3 9.6 10.3 24.2 242 242 A F H X> S+ 0 0 0 -3,-2.5 4,-2.5 1,-0.3 3,-0.8 0.872 81.4 65.2 -52.2 -35.5 11.1 9.6 20.7 243 243 A R H <> S+ 0 0 98 -3,-1.8 4,-2.0 1,-0.3 -1,-0.3 0.850 100.1 47.2 -50.7 -45.0 13.2 12.6 21.5 244 244 A D H <> S+ 0 0 103 -3,-1.5 4,-0.7 -4,-0.3 -1,-0.3 0.737 108.2 56.4 -79.4 -14.2 14.8 10.8 24.3 245 245 A I H X< S+ 0 0 0 -4,-1.1 3,-0.8 -3,-0.8 -2,-0.2 0.937 106.8 48.0 -77.2 -45.6 15.4 7.8 22.1 246 246 A I H >< S+ 0 0 0 -4,-2.5 3,-1.8 1,-0.2 -2,-0.2 0.942 108.9 55.4 -52.6 -50.7 17.3 9.8 19.5 247 247 A D H >< S+ 0 0 35 -4,-2.0 3,-1.0 1,-0.3 -1,-0.2 0.706 94.1 70.6 -60.0 -17.4 19.4 11.4 22.3 248 248 A A T << S+ 0 0 20 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.425 84.2 67.6 -75.9 -10.2 20.5 7.9 23.5 249 249 A T T < 0 0 1 -3,-1.8 -1,-0.3 -4,-0.2 -2,-0.1 0.163 360.0 360.0 -96.4 16.5 22.6 7.4 20.5 250 250 A R < 0 0 200 -3,-1.0 -2,-0.1 -215,-0.1 -3,-0.1 0.440 360.0 360.0-109.9 360.0 24.8 10.1 22.0