==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 18-NOV-02 1N7X . COMPND 2 MOLECULE: SEROTRANSFERRIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.E.ADAMS,A.B.MASON,Q.Y.HE,P.J.HALBROOKS,S.K.BRIGGS, . 329 1 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14270.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 213 64.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 41 12.5 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 . 1 0.3 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 . 17 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 80 24.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 1 2 0 1 2 1 2 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 0 PARALLEL BRIDGES PER LADDER . 2 0 3 1 3 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 1 0 1 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 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 D 0 0 85 0, 0.0 2,-0.3 0, 0.0 31,-0.1 0.000 360.0 360.0 360.0 64.3 -30.8 -26.5 60.9 2 4 A K - 0 0 149 32,-0.1 32,-2.6 258,-0.0 2,-0.4 -0.861 360.0 -61.7-157.7-172.1 -28.5 -29.3 59.8 3 5 A T E -a 34 0A 55 -2,-0.3 2,-0.6 30,-0.2 32,-0.2 -0.700 32.0-160.7 -94.2 135.3 -28.5 -32.1 57.2 4 6 A V E -a 35 0A 0 30,-3.0 32,-2.3 -2,-0.4 2,-1.1 -0.958 15.2-144.7-111.0 117.6 -31.0 -34.9 56.9 5 7 A R E -a 36 0A 54 -2,-0.6 51,-2.8 30,-0.2 52,-1.8 -0.729 18.6-157.2 -85.2 101.3 -29.6 -37.8 54.8 6 8 A W E -ab 37 57A 0 30,-2.8 32,-2.5 -2,-1.1 2,-0.8 -0.630 11.8-131.2 -83.3 135.2 -32.7 -39.1 52.9 7 9 A a E -a 38 0A 0 50,-2.8 2,-0.5 -2,-0.3 52,-0.3 -0.761 23.8-169.2 -90.4 110.7 -32.5 -42.6 51.7 8 10 A A E -a 39 0A 0 30,-3.0 32,-2.9 -2,-0.8 2,-0.9 -0.850 16.9-137.1 -99.8 132.0 -33.5 -42.9 48.1 9 11 A V E > -a 40 0A 10 -2,-0.5 4,-0.7 30,-0.2 170,-0.4 -0.798 61.9 -36.9 -96.2 102.8 -34.2 -46.3 46.6 10 12 A S H > S- 0 0 5 30,-3.0 4,-2.0 -2,-0.9 5,-0.2 0.089 93.3 -46.7 75.0 175.3 -32.6 -46.6 43.2 11 13 A E H > S+ 0 0 93 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.789 128.2 49.4 -46.2 -50.8 -32.2 -44.1 40.2 12 14 A H H > S+ 0 0 72 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.967 113.9 44.0 -60.9 -55.7 -35.7 -42.7 40.0 13 15 A E H X S+ 0 0 27 -4,-0.7 4,-2.5 1,-0.2 -1,-0.2 0.854 111.5 56.8 -58.9 -33.6 -36.1 -41.9 43.7 14 16 A A H X S+ 0 0 12 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.932 105.4 50.4 -63.3 -44.7 -32.5 -40.5 43.6 15 17 A T H X S+ 0 0 51 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.951 112.6 45.2 -58.6 -50.4 -33.5 -38.1 40.8 16 18 A K H X S+ 0 0 1 -4,-2.1 4,-2.9 1,-0.2 -1,-0.2 0.890 110.2 56.1 -61.2 -38.0 -36.5 -36.8 42.7 17 19 A b H X S+ 0 0 0 -4,-2.5 4,-2.8 -5,-0.2 -1,-0.2 0.907 105.3 51.4 -61.0 -40.4 -34.4 -36.6 45.8 18 20 A Q H X S+ 0 0 95 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.872 111.9 46.5 -63.5 -38.7 -31.9 -34.3 44.0 19 21 A S H X S+ 0 0 36 -4,-1.8 4,-2.8 2,-0.2 5,-0.3 0.915 110.5 53.0 -68.9 -42.6 -34.7 -32.0 42.9 20 22 A F H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.967 110.8 48.1 -54.4 -54.3 -36.2 -32.0 46.4 21 23 A R H X S+ 0 0 69 -4,-2.8 4,-1.3 1,-0.2 14,-0.2 0.890 114.1 45.1 -53.6 -49.2 -32.8 -31.0 47.8 22 24 A D H X S+ 0 0 78 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.926 113.1 47.7 -66.6 -46.1 -32.2 -28.2 45.3 23 25 A H H < S+ 0 0 50 -4,-2.8 4,-0.5 1,-0.2 -1,-0.2 0.890 109.2 55.2 -63.8 -36.2 -35.7 -26.7 45.5 24 26 A M H >X S+ 0 0 2 -4,-2.3 4,-2.5 -5,-0.3 3,-1.0 0.859 103.6 56.5 -63.9 -33.5 -35.5 -26.7 49.3 25 27 A K H 3< S+ 0 0 123 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.908 100.6 57.2 -64.4 -40.9 -32.3 -24.7 49.1 26 28 A S T 3< S+ 0 0 95 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.593 121.8 25.2 -68.3 -8.0 -34.0 -21.9 47.1 27 29 A V T <4 S+ 0 0 50 -3,-1.0 -2,-0.2 -4,-0.5 -1,-0.2 0.588 99.8 85.3-130.9 -17.4 -36.6 -21.4 49.9 28 30 A I S < S- 0 0 11 -4,-2.5 4,-0.1 -5,-0.2 -1,-0.1 -0.772 81.6-117.0 -89.7 128.7 -35.2 -22.6 53.2 29 31 A P > - 0 0 67 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 0.224 31.2 -99.3 -48.4-173.9 -33.1 -19.9 54.9 30 32 A S T 3 S+ 0 0 129 1,-0.2 -2,-0.0 -29,-0.0 -5,-0.0 0.659 127.2 52.3 -85.4 -16.5 -29.4 -20.5 55.5 31 33 A D T 3 S+ 0 0 111 2,-0.1 -1,-0.2 -29,-0.0 -29,-0.0 0.076 95.3 96.3-103.7 22.3 -30.3 -21.4 59.1 32 34 A G S < S- 0 0 9 -3,-0.7 2,-0.2 -4,-0.1 232,-0.1 -0.466 84.7 -83.7-100.3 177.4 -32.9 -23.9 57.9 33 35 A P - 0 0 4 0, 0.0 2,-0.3 0, 0.0 -30,-0.2 -0.494 41.4-148.6 -84.1 154.1 -32.4 -27.7 57.4 34 36 A S E -a 3 0A 41 -32,-2.6 -30,-3.0 -2,-0.2 2,-0.4 -0.857 6.5-128.1-124.1 160.0 -31.0 -29.3 54.3 35 37 A V E -a 4 0A 6 -2,-0.3 2,-0.4 -14,-0.2 -30,-0.2 -0.868 17.8-176.0-108.3 136.0 -31.4 -32.6 52.3 36 38 A A E -a 5 0A 33 -32,-2.3 -30,-2.8 -2,-0.4 2,-0.5 -0.960 21.4-134.3-124.8 143.8 -28.6 -34.9 51.2 37 39 A b E -a 6 0A 48 -2,-0.4 2,-0.5 -32,-0.2 -30,-0.2 -0.882 17.4-173.4-110.8 129.1 -29.4 -37.9 49.1 38 40 A V E -a 7 0A 35 -32,-2.5 -30,-3.0 -2,-0.5 2,-0.5 -0.972 18.3-143.5-117.6 124.1 -28.1 -41.5 49.6 39 41 A K E +a 8 0A 110 -2,-0.5 2,-0.3 -32,-0.2 -30,-0.2 -0.776 24.1 172.5 -93.7 127.3 -28.9 -44.0 46.9 40 42 A K E -a 9 0A 54 -32,-2.9 -30,-3.0 -2,-0.5 -26,-0.1 -0.833 38.4-127.7-126.4 165.2 -29.7 -47.6 47.8 41 43 A A S S+ 0 0 69 -2,-0.3 2,-0.3 -32,-0.2 136,-0.1 0.736 87.1 6.2 -84.0 -27.0 -30.9 -50.7 45.9 42 44 A S > - 0 0 11 -34,-0.1 4,-1.5 1,-0.1 -1,-0.1 -0.951 68.7-108.9-152.1 171.0 -33.8 -51.4 48.3 43 45 A E H > S+ 0 0 23 134,-0.4 4,-1.9 -2,-0.3 5,-0.1 0.810 118.0 59.9 -70.2 -31.5 -35.9 -50.3 51.3 44 46 A L H > S+ 0 0 93 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.919 104.2 49.3 -61.8 -45.6 -34.2 -53.1 53.3 45 47 A D H > S+ 0 0 63 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.882 107.1 55.6 -62.8 -36.9 -30.8 -51.6 52.6 46 48 A a H X S+ 0 0 0 -4,-1.5 4,-2.4 1,-0.2 -1,-0.2 0.896 104.2 54.0 -62.6 -38.5 -32.2 -48.2 53.8 47 49 A I H X S+ 0 0 12 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.925 111.2 44.8 -60.8 -46.1 -33.2 -49.7 57.1 48 50 A R H X S+ 0 0 129 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.967 112.4 51.9 -61.4 -53.7 -29.7 -51.0 57.7 49 51 A A H <>S+ 0 0 9 -4,-2.6 5,-3.7 1,-0.2 6,-1.0 0.844 109.2 48.7 -53.3 -42.4 -28.1 -47.8 56.6 50 52 A I H ><5S+ 0 0 0 -4,-2.4 3,-1.8 4,-0.2 -1,-0.2 0.958 112.9 47.9 -65.0 -48.0 -30.2 -45.7 59.0 51 53 A A H 3<5S+ 0 0 37 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.853 111.4 51.5 -59.6 -34.9 -29.4 -48.0 61.9 52 54 A A T 3<5S- 0 0 67 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.358 119.0-111.2 -85.0 6.4 -25.7 -47.9 61.0 53 55 A N T < 5S+ 0 0 89 -3,-1.8 -3,-0.2 2,-0.2 -2,-0.1 0.828 88.7 116.5 68.0 32.7 -25.8 -44.1 60.9 54 56 A E S > - 0 0 2 -2,-0.3 3,-1.1 186,-0.2 4,-1.1 -0.457 43.1-111.5 -67.2 146.5 -45.2 -49.0 54.1 62 64 A A H 3> S+ 0 0 0 183,-0.5 4,-1.0 1,-0.3 3,-0.3 0.803 116.8 62.3 -53.9 -31.3 -46.5 -49.9 57.6 63 65 A G H 3> S+ 0 0 0 1,-0.2 4,-0.7 2,-0.2 3,-0.5 0.919 106.5 43.5 -61.0 -42.0 -45.8 -53.6 56.9 64 66 A L H <> S+ 0 0 17 -3,-1.1 4,-1.4 1,-0.2 -1,-0.2 0.633 98.9 74.0 -78.5 -14.4 -42.1 -52.8 56.6 65 67 A V H X S+ 0 0 2 -4,-1.1 4,-1.3 -3,-0.3 -1,-0.2 0.880 93.9 54.7 -63.6 -37.5 -42.2 -50.6 59.7 66 68 A Y H X S+ 0 0 24 -4,-1.0 4,-1.3 -3,-0.5 3,-0.5 0.928 108.3 45.6 -62.3 -46.8 -42.5 -53.7 61.8 67 69 A D H < S+ 0 0 46 -4,-0.7 -1,-0.2 1,-0.2 6,-0.2 0.768 110.3 56.3 -69.1 -23.5 -39.4 -55.3 60.4 68 70 A A H < S+ 0 0 1 -4,-1.4 7,-2.2 1,-0.2 -1,-0.2 0.754 104.5 51.9 -77.5 -26.5 -37.6 -51.9 60.9 69 71 A Y H < S+ 0 0 63 -4,-1.3 5,-0.2 -3,-0.5 -2,-0.2 0.782 91.9 96.3 -78.8 -29.1 -38.5 -51.9 64.6 70 72 A L S >X S- 0 0 57 -4,-1.3 3,-1.7 -5,-0.1 4,-1.1 -0.270 83.6 -52.4 -62.7 146.5 -37.1 -55.4 65.0 71 73 A A T 34 S+ 0 0 77 1,-0.3 -1,-0.1 2,-0.2 -2,-0.1 -0.238 116.1 18.4 -64.0 151.9 -33.5 -55.8 66.3 72 74 A P T 34 S+ 0 0 103 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 -0.841 125.4 52.7 -97.6 31.5 -30.8 -54.8 65.6 73 75 A N T <4 + 0 0 20 -3,-1.7 -2,-0.2 -6,-0.2 -4,-0.1 0.928 67.6 179.4 -83.8 -53.8 -32.4 -51.9 63.6 74 76 A N < + 0 0 80 -4,-1.1 179,-0.8 -5,-0.2 -5,-0.3 0.916 15.2 166.6 50.0 56.0 -34.7 -50.6 66.2 75 77 A L E -D 252 0B 5 -7,-2.2 234,-0.3 -5,-0.2 177,-0.2 -0.639 20.1-153.3 -95.8 157.7 -36.2 -47.7 64.2 76 78 A K E -D 251 0B 27 175,-2.6 175,-2.0 -2,-0.2 2,-0.2 -0.959 21.1-108.2-132.2 149.4 -39.3 -45.8 65.2 77 79 A P E +D 250 0B 3 0, 0.0 173,-0.2 0, 0.0 230,-0.2 -0.565 38.1 165.9 -76.3 138.8 -41.9 -43.9 63.2 78 80 A V E + 0 0 7 171,-2.9 225,-3.0 1,-0.4 2,-0.4 0.652 62.8 29.7-123.2 -32.7 -41.7 -40.2 63.5 79 81 A V E -DE 249 302B 1 170,-1.2 170,-3.5 223,-0.3 -1,-0.4 -0.998 66.3-158.2-136.0 131.0 -43.8 -38.6 60.7 80 82 A A E -DE 248 301B 5 221,-3.0 221,-2.3 -2,-0.4 168,-0.2 -0.826 15.0-129.4-109.6 146.9 -46.9 -40.2 59.1 81 83 A E E - E 0 300B 1 166,-2.2 2,-0.3 -2,-0.3 219,-0.2 -0.533 22.9-156.3 -83.2 158.0 -48.4 -39.4 55.7 82 84 A F E - E 0 299B 15 217,-1.6 216,-2.8 -2,-0.2 217,-0.9 -0.959 6.7-159.4-133.0 152.8 -52.1 -38.7 55.6 83 85 A Y E +FE 90 297B 3 7,-2.3 7,-2.3 -2,-0.3 2,-1.5 -0.572 56.2 45.3-121.8-174.8 -54.5 -39.1 52.7 84 86 A G S S- 0 0 35 212,-0.5 2,-0.3 5,-0.2 3,-0.1 -0.602 108.8 -35.8 84.2 -86.4 -57.9 -37.8 51.5 85 87 A S - 0 0 27 -2,-1.5 213,-0.1 3,-0.5 5,-0.1 -0.974 49.0-107.4-163.7 169.4 -57.7 -34.1 52.2 86 88 A K S S+ 0 0 107 -2,-0.3 -1,-0.1 1,-0.2 -3,-0.0 0.863 115.2 57.6 -75.1 -35.5 -56.3 -31.5 54.6 87 89 A E S S+ 0 0 167 1,-0.3 -1,-0.2 -3,-0.1 -3,-0.0 0.926 127.6 15.1 -61.4 -43.4 -59.7 -30.7 56.0 88 90 A D S S- 0 0 114 -5,-0.0 -3,-0.5 2,-0.0 -1,-0.3 -0.699 84.0-162.0-134.7 81.1 -60.2 -34.3 57.0 89 91 A P - 0 0 50 0, 0.0 2,-0.6 0, 0.0 -5,-0.2 -0.391 7.1-148.3 -66.1 133.7 -56.9 -36.3 56.9 90 92 A Q B -F 83 0B 46 -7,-2.3 -7,-2.3 -2,-0.1 2,-0.1 -0.918 7.5-166.2-106.5 115.1 -57.2 -40.1 56.8 91 93 A T S S+ 0 0 70 -2,-0.6 155,-1.4 -9,-0.2 2,-0.3 -0.104 73.0 46.4 -91.7 37.3 -54.3 -41.8 58.6 92 94 A F E -G 245 0C 58 153,-0.3 2,-0.3 -2,-0.1 -9,-0.2 -0.934 66.0-157.1-160.0 173.5 -55.2 -45.1 57.0 93 95 A Y E -G 244 0C 0 151,-1.7 151,-2.2 -2,-0.3 2,-0.4 -0.967 24.1 -96.2-156.0 169.7 -56.2 -46.6 53.6 94 96 A Y E -G 243 0C 26 -2,-0.3 111,-1.5 149,-0.2 2,-0.5 -0.802 19.4-147.0-101.8 131.5 -58.0 -49.5 52.0 95 97 A A E +GH 242 204C 0 147,-2.5 146,-3.1 -2,-0.4 147,-0.9 -0.807 30.8 175.3 -90.8 125.5 -56.4 -52.7 50.7 96 98 A V E - H 0 203C 3 107,-2.9 107,-1.4 -2,-0.5 2,-0.6 -0.861 32.2-130.0-129.5 165.8 -58.4 -53.9 47.7 97 99 A A E - H 0 202C 0 127,-0.4 127,-2.3 142,-0.3 2,-0.4 -0.958 26.9-158.1-118.5 110.8 -58.1 -56.7 45.1 98 100 A V E +IH 223 201C 2 103,-2.8 103,-2.3 -2,-0.6 2,-0.3 -0.753 17.4 166.7 -95.6 136.0 -58.5 -55.4 41.6 99 101 A V E -IH 222 200C 0 123,-2.7 123,-3.1 -2,-0.4 2,-0.2 -0.886 38.5 -93.3-138.2 166.8 -59.6 -57.6 38.7 100 102 A K E > -I 221 0C 74 99,-0.5 3,-1.6 -2,-0.3 121,-0.3 -0.607 53.7 -89.6 -84.9 146.3 -60.8 -57.2 35.1 101 103 A K T 3 S+ 0 0 95 119,-3.7 -1,-0.1 1,-0.3 119,-0.1 -0.175 106.9 3.3 -53.5 141.0 -64.5 -57.1 34.4 102 104 A D T 3 S+ 0 0 135 1,-0.1 -1,-0.3 -3,-0.1 119,-0.0 0.699 77.9 142.6 55.0 26.1 -66.1 -60.4 33.7 103 105 A S < - 0 0 49 -3,-1.6 -1,-0.1 2,-0.1 -2,-0.1 0.709 61.9-127.8 -68.2 -16.8 -62.9 -62.4 34.3 104 106 A G + 0 0 63 1,-0.2 2,-0.3 0, 0.0 -1,-0.1 0.582 65.4 95.9 88.2 12.3 -65.2 -65.0 35.9 105 107 A F - 0 0 3 5,-0.0 -1,-0.2 124,-0.0 2,-0.2 -0.965 49.7-149.3-137.2 154.5 -63.9 -65.8 39.4 106 108 A Q > - 0 0 45 -2,-0.3 3,-2.0 118,-0.1 118,-0.1 -0.474 45.0 -84.4-108.8-179.2 -64.5 -64.7 43.0 107 109 A M G > S+ 0 0 19 118,-0.4 3,-0.8 1,-0.3 119,-0.1 0.875 126.6 58.0 -53.1 -40.8 -62.3 -64.5 46.1 108 110 A N G 3 S+ 0 0 95 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.492 100.9 58.7 -72.1 -2.5 -62.9 -68.2 46.8 109 111 A Q G < + 0 0 85 -3,-2.0 -1,-0.3 1,-0.1 -2,-0.1 -0.174 66.8 112.7-120.4 39.9 -61.5 -69.2 43.4 110 112 A L X + 0 0 2 -3,-0.8 3,-2.5 2,-0.1 -1,-0.1 0.733 41.4 106.7 -85.4 -22.1 -58.0 -67.8 43.6 111 113 A R T 3 S+ 0 0 148 1,-0.3 41,-0.2 -3,-0.2 3,-0.1 -0.370 89.1 20.7 -59.1 128.3 -56.0 -71.0 43.6 112 114 A G T 3 S+ 0 0 40 39,-2.4 -1,-0.3 1,-0.4 40,-0.2 0.244 99.1 117.5 98.4 -13.8 -54.5 -71.4 40.1 113 115 A K < - 0 0 57 -3,-2.5 40,-1.8 38,-0.2 2,-0.5 -0.325 67.7-114.6 -83.0 167.4 -54.7 -67.7 39.2 114 116 A K - 0 0 58 38,-0.2 85,-3.3 39,-0.2 86,-1.3 -0.910 34.7-159.8-104.7 129.4 -51.8 -65.4 38.6 115 117 A S E -jk 155 200C 0 39,-1.3 41,-1.8 -2,-0.5 2,-0.5 -0.865 13.6-150.0-115.5 147.4 -51.3 -62.6 41.1 116 118 A c E -jk 156 201C 1 84,-2.7 86,-2.1 -2,-0.3 2,-0.3 -0.961 19.2-170.0-115.2 121.0 -49.6 -59.2 41.1 117 119 A H E - k 0 202C 0 39,-2.8 68,-0.1 -2,-0.5 3,-0.1 -0.830 28.3-136.6-112.2 148.2 -48.2 -58.0 44.4 118 120 A T S S- 0 0 3 84,-0.6 67,-2.3 -2,-0.3 2,-0.3 0.931 79.3 -48.2 -65.0 -45.3 -46.8 -54.5 45.3 119 121 A G > - 0 0 0 65,-0.2 3,-1.6 3,-0.1 -1,-0.3 -0.885 66.1 -71.9 175.0 154.1 -44.0 -56.2 47.2 120 122 A L T 3 S+ 0 0 44 38,-3.2 3,-0.1 -2,-0.3 6,-0.1 -0.310 114.3 9.8 -59.4 134.4 -43.1 -58.8 49.8 121 123 A G T 3 S+ 0 0 8 1,-0.2 2,-0.3 2,-0.1 -1,-0.3 0.570 94.5 134.5 73.7 11.0 -44.0 -57.9 53.3 122 124 A R <>> - 0 0 21 -3,-1.6 5,-2.3 -59,-0.1 4,-1.4 -0.680 60.4-119.4 -95.6 149.6 -46.1 -54.9 52.3 123 125 A S T 4>S+ 0 0 0 -2,-0.3 5,-2.5 3,-0.2 3,-0.3 0.939 101.7 22.0 -47.9 -73.5 -49.6 -54.1 53.8 124 126 A A T 45S+ 0 0 1 1,-0.2 -1,-0.2 3,-0.2 79,-0.1 0.907 127.7 45.3 -68.8 -45.5 -52.0 -54.1 50.8 125 127 A G T 45S- 0 0 0 3,-0.1 -1,-0.2 -6,-0.1 77,-0.2 0.550 134.1 -3.3 -79.5 -7.3 -50.0 -56.2 48.3 126 128 A W T X5S+ 0 0 8 -4,-1.4 4,-2.6 -3,-0.3 5,-0.5 0.430 119.9 52.8-143.8 -71.5 -48.9 -58.9 50.7 127 129 A N H > S+ 0 0 2 0, 0.0 4,-1.3 0, 0.0 -2,-0.2 0.909 119.7 45.6 -62.0 -40.3 -54.3 -60.7 51.1 130 132 A I H X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.859 109.2 56.4 -71.4 -33.9 -52.0 -63.5 52.1 131 133 A G H < S+ 0 0 36 -4,-1.7 4,-0.3 -5,-0.5 -1,-0.2 0.897 108.7 47.5 -63.8 -38.0 -53.3 -63.3 55.7 132 134 A L H < S+ 0 0 85 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.782 118.4 39.0 -73.8 -27.7 -56.8 -63.9 54.5 133 135 A L H >X S+ 0 0 13 -4,-1.3 3,-1.7 -5,-0.2 4,-1.0 0.604 85.4 109.3 -95.5 -14.0 -55.9 -66.8 52.2 134 136 A Y G >< S+ 0 0 20 -4,-1.8 3,-1.0 1,-0.3 -1,-0.1 0.748 81.2 40.6 -28.5 -59.0 -53.4 -68.3 54.7 135 137 A d G 34 S+ 0 0 60 -4,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.800 111.3 56.7 -69.6 -28.1 -55.5 -71.3 55.7 136 138 A D G <4 S+ 0 0 93 -3,-1.7 -1,-0.3 -4,-0.2 -2,-0.2 0.569 90.6 99.6 -77.8 -7.6 -56.6 -71.9 52.1 137 139 A L S << S- 0 0 3 -4,-1.0 11,-0.1 -3,-1.0 2,-0.1 -0.436 82.6-105.7 -76.5 153.6 -52.9 -72.1 51.2 138 140 A P - 0 0 43 0, 0.0 12,-0.1 0, 0.0 -1,-0.1 -0.375 51.3 -67.5 -77.7 159.7 -51.3 -75.5 50.8 139 141 A E S S+ 0 0 154 2,-0.1 2,-0.1 -2,-0.1 -4,-0.0 -0.649 104.9 48.4 -96.1 152.4 -48.9 -77.0 53.3 140 142 A P - 0 0 69 0, 0.0 7,-0.0 0, 0.0 0, 0.0 0.631 59.3-173.6 -75.6 163.4 -46.3 -76.6 54.4 141 143 A R + 0 0 44 -2,-0.1 -2,-0.1 5,-0.1 3,-0.1 -0.004 48.5 119.9-108.7 22.7 -46.8 -72.8 55.0 142 144 A K S S+ 0 0 132 1,-0.3 2,-0.2 2,-0.1 -1,-0.0 -0.980 73.3 26.0-139.9 120.5 -43.2 -72.5 55.9 143 145 A P S >> S- 0 0 65 0, 0.0 4,-1.1 0, 0.0 3,-0.6 0.671 92.2-143.8 -72.5 158.3 -41.5 -70.8 54.4 144 146 A L H 3> S+ 0 0 21 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.871 97.3 62.7 -57.4 -40.5 -44.6 -68.7 53.5 145 147 A E H 3> S+ 0 0 45 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.911 98.0 59.7 -50.5 -43.7 -43.3 -68.0 50.0 146 148 A K H <> S+ 0 0 89 -3,-0.6 4,-1.6 1,-0.2 -1,-0.2 0.937 106.4 44.4 -48.4 -58.3 -43.4 -71.7 49.4 147 149 A A H X S+ 0 0 0 -4,-1.1 4,-1.1 1,-0.2 -1,-0.2 0.884 113.9 49.6 -57.1 -43.7 -47.2 -71.9 50.1 148 150 A V H >X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 3,-0.8 0.940 107.8 53.9 -63.2 -46.5 -47.9 -68.8 48.0 149 151 A A H 3< S+ 0 0 5 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.834 113.2 44.2 -56.3 -34.2 -45.9 -70.1 45.0 150 152 A N H 3< S+ 0 0 86 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.616 110.2 54.5 -87.7 -14.1 -48.0 -73.3 45.2 151 153 A F H << S+ 0 0 7 -4,-1.1 -39,-2.4 -3,-0.8 2,-0.2 0.924 109.3 46.4 -82.3 -49.2 -51.3 -71.6 45.6 152 154 A F S < S- 0 0 7 -4,-2.2 -38,-0.2 -41,-0.2 3,-0.1 -0.546 82.5-127.8 -89.8 156.7 -51.1 -69.3 42.5 153 155 A S S S- 0 0 50 -40,-1.8 -39,-0.2 1,-0.4 2,-0.1 -0.043 86.8 -33.3 -93.4 31.6 -49.9 -70.6 39.1 154 156 A G + 0 0 0 -41,-0.3 -39,-1.3 -6,-0.2 -1,-0.4 -0.269 69.9 175.4 128.4 145.6 -47.4 -67.8 39.1 155 157 A S E -j 115 0C 0 12,-2.2 16,-2.0 -41,-0.2 15,-0.6 -0.909 33.0-106.5-159.8-174.3 -47.1 -64.2 40.3 156 158 A e E +jL 116 169C 0 -41,-1.8 -39,-2.8 -2,-0.3 13,-0.2 -0.942 34.5 166.0-131.8 108.1 -45.0 -61.1 40.8 157 159 A A > - 0 0 0 11,-2.1 3,-1.7 -2,-0.4 -39,-0.1 -0.845 28.2-144.9-124.0 89.5 -43.8 -60.5 44.3 158 160 A P T 3 S+ 0 0 0 0, 0.0 -38,-3.2 0, 0.0 18,-0.2 -0.261 83.1 26.8 -56.2 141.0 -41.1 -57.9 44.3 159 161 A f T 3 S+ 0 0 41 16,-3.0 18,-0.1 1,-0.3 17,-0.1 0.293 93.1 127.1 87.4 -5.7 -38.3 -58.4 46.9 160 162 A A S < S- 0 0 11 -3,-1.7 2,-1.0 15,-0.1 -1,-0.3 -0.297 73.4 -98.7 -75.7 165.5 -38.9 -62.1 46.9 161 163 A D > - 0 0 80 1,-0.2 4,-2.6 -3,-0.1 7,-0.2 -0.765 32.9-171.0 -91.0 102.1 -36.1 -64.6 46.4 162 164 A G T 4 S+ 0 0 26 -2,-1.0 -1,-0.2 12,-0.4 7,-0.2 0.736 83.3 57.2 -62.4 -24.9 -36.3 -65.7 42.8 163 165 A T T 4 S+ 0 0 123 1,-0.1 -1,-0.2 2,-0.1 -2,-0.1 0.917 115.0 34.3 -72.1 -46.4 -33.7 -68.4 43.3 164 166 A D T 4 S+ 0 0 103 1,-0.3 -2,-0.2 -3,-0.2 -1,-0.1 0.834 134.4 25.1 -78.5 -34.5 -35.6 -70.2 46.1 165 167 A F >< + 0 0 22 -4,-2.6 3,-0.9 1,-0.1 4,-0.3 -0.724 64.1 170.5-133.6 83.1 -39.1 -69.5 44.7 166 168 A P G > S+ 0 0 75 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.777 74.6 67.1 -65.3 -25.9 -39.1 -69.0 41.0 167 169 A Q G > S+ 0 0 60 1,-0.3 -12,-2.2 2,-0.2 3,-1.3 0.837 92.7 63.7 -62.8 -30.8 -42.9 -69.0 40.6 168 170 A L G < S+ 0 0 0 -3,-0.9 -11,-2.1 1,-0.3 -1,-0.3 0.660 107.7 39.5 -67.7 -18.5 -42.9 -65.8 42.6 169 171 A g B < S+L 156 0C 8 -3,-1.3 -1,-0.3 -4,-0.3 6,-0.2 0.092 82.1 109.6-117.3 20.4 -41.0 -63.9 39.9 170 172 A Q S < S+ 0 0 99 -3,-1.3 -14,-0.2 -15,-0.6 -2,-0.1 0.879 85.9 39.2 -63.7 -40.6 -42.8 -65.5 36.9 171 173 A L S S+ 0 0 20 -16,-2.0 -1,-0.2 -4,-0.3 -15,-0.2 0.596 132.8 27.0 -85.2 -13.2 -44.6 -62.3 35.9 172 174 A e S > S- 0 0 7 -17,-0.5 3,-2.5 -3,-0.1 -1,-0.3 -0.546 88.7-139.1-150.7 77.6 -41.6 -60.2 36.7 173 175 A P T 3 S+ 0 0 117 0, 0.0 3,-0.4 0, 0.0 -3,-0.1 -0.004 87.3 18.3 -39.4 127.8 -38.3 -62.0 36.3 174 176 A G T 3 S- 0 0 61 1,-0.2 -12,-0.4 -8,-0.1 -15,-0.1 -0.020 97.4-119.7 97.0 -31.3 -35.8 -61.2 39.1 175 177 A g < - 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0 0 27 -5,-0.1 2,-0.2 1,-0.1 -4,-0.0 0.773 36.5-144.6 22.1 151.9 -50.0 -69.5 62.8 328 330 A T 0 0 132 0, 0.0 -193,-0.1 0, 0.0 -2,-0.1 -0.640 360.0 360.0-123.2 179.7 -52.1 -72.7 62.6 329 331 A d 0 0 116 -2,-0.2 -2,-0.0 -194,-0.1 0, 0.0 -0.575 360.0 360.0-138.4 360.0 -55.5 -73.3 61.1