==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IRON TRANSPORT 09-DEC-98 1B3E . COMPND 2 MOLECULE: PROTEIN (SERUM TRANSFERRIN); . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.C.BEWLEY,B.M.TAM,J.GREWAL,S.HE,S.SHEWRY,M.E.P.MURPHY, . 330 1 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14575.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 231 70.0 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 . 40 12.1 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 . 1 0.3 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 . 22 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 82 24.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.8 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 1 1 1 1 2 0 0 0 0 1 0 0 1 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 . 0 1 2 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 1 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 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 4 A K 0 0 148 0, 0.0 32,-2.7 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 24.4 45.8 24.0 10.8 2 5 A T E -a 33 0A 58 30,-0.2 2,-0.6 32,-0.0 32,-0.2 -0.910 360.0-150.8-103.8 120.8 47.9 24.8 7.7 3 6 A V E -a 34 0A 0 30,-3.8 32,-3.3 -2,-0.6 2,-1.0 -0.822 11.4-145.2 -89.0 121.2 50.4 27.6 8.1 4 7 A R E -a 35 0A 55 -2,-0.6 51,-3.4 30,-0.2 52,-1.7 -0.803 17.0-159.1 -90.5 101.8 50.9 29.3 4.7 5 8 A W E -ab 36 56A 2 30,-3.2 32,-3.5 -2,-1.0 2,-0.9 -0.677 12.0-134.0 -83.4 135.4 54.6 30.2 4.6 6 9 A a E -a 37 0A 0 50,-3.0 2,-0.4 -2,-0.4 52,-0.2 -0.779 22.4-165.8 -95.0 104.7 55.6 32.9 2.2 7 10 A A E -a 38 0A 0 30,-3.5 32,-3.1 -2,-0.9 2,-0.9 -0.765 16.6-134.1 -88.9 136.9 58.7 31.9 0.3 8 11 A V E > -a 39 0A 14 -2,-0.4 4,-0.6 30,-0.2 170,-0.4 -0.792 61.8 -47.3 -98.1 98.5 60.7 34.5 -1.7 9 12 A S H > S- 0 0 13 30,-2.5 4,-1.8 -2,-0.9 3,-0.3 0.044 93.9 -34.1 72.1-176.5 61.5 33.1 -5.1 10 13 A E H > S+ 0 0 92 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.796 126.8 43.5 -42.4 -62.1 62.9 29.8 -6.3 11 14 A H H > S+ 0 0 60 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.854 114.9 49.5 -60.2 -43.2 65.4 28.5 -3.6 12 15 A E H X S+ 0 0 29 -4,-0.6 4,-2.9 -3,-0.3 -1,-0.2 0.871 110.4 51.5 -64.4 -36.3 63.3 29.4 -0.7 13 16 A A H X S+ 0 0 10 -4,-1.8 4,-2.5 2,-0.2 5,-0.2 0.927 108.6 51.7 -66.5 -42.9 60.4 27.6 -2.4 14 17 A T H X S+ 0 0 58 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.956 114.4 42.1 -57.5 -52.9 62.6 24.6 -2.8 15 18 A K H X S+ 0 0 4 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.870 112.0 55.7 -61.5 -38.9 63.5 24.6 0.9 16 19 A b H X S+ 0 0 0 -4,-2.9 4,-3.6 2,-0.2 -1,-0.2 0.893 106.5 49.6 -61.7 -42.3 59.9 25.4 1.9 17 20 A Q H X S+ 0 0 94 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.870 112.6 47.8 -64.3 -34.2 58.6 22.3 0.1 18 21 A S H X S+ 0 0 38 -4,-1.5 4,-1.9 -5,-0.2 -2,-0.2 0.807 111.5 51.0 -74.3 -30.8 61.3 20.3 1.8 19 22 A F H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 5,-0.3 0.990 112.6 46.0 -67.7 -56.9 60.2 21.9 5.1 20 23 A R H X S+ 0 0 69 -4,-3.6 4,-2.0 1,-0.2 14,-0.2 0.902 114.4 48.3 -48.0 -54.2 56.6 21.0 4.4 21 24 A D H X S+ 0 0 85 -4,-2.6 4,-0.6 1,-0.2 -1,-0.2 0.873 111.7 46.7 -57.2 -47.5 57.4 17.4 3.4 22 25 A H H >X S+ 0 0 36 -4,-1.9 3,-0.8 1,-0.2 4,-0.5 0.866 110.0 53.2 -68.3 -35.8 59.7 16.6 6.4 23 26 A M H >X S+ 0 0 3 -4,-2.3 3,-1.9 1,-0.2 4,-1.5 0.920 98.4 66.0 -64.5 -38.3 57.2 18.0 8.9 24 27 A K H 3< S+ 0 0 151 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.756 101.6 51.1 -52.0 -27.4 54.5 15.8 7.4 25 28 A S H << S+ 0 0 90 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.635 114.7 37.4 -90.1 -15.1 56.5 12.8 8.7 26 29 A V H << S+ 0 0 50 -3,-1.9 -2,-0.2 -4,-0.5 -1,-0.1 0.468 102.4 77.6-115.6 0.3 57.0 13.9 12.3 27 30 A I S < S- 0 0 28 -4,-1.5 2,-0.0 4,-0.1 236,-0.0 -0.895 82.1-110.3-116.4 136.2 53.6 15.5 13.0 28 31 A P > - 0 0 85 0, 0.0 3,-3.4 0, 0.0 -2,-0.1 -0.331 35.6-107.2 -58.6 146.3 50.3 13.8 13.8 29 32 A S T 3 S+ 0 0 136 1,-0.3 4,-0.0 -2,-0.0 -2,-0.0 0.589 119.7 53.5 -52.1 -17.4 47.6 14.1 11.2 30 33 A D T 3 S+ 0 0 112 2,-0.0 -1,-0.3 3,-0.0 3,-0.1 0.332 94.9 93.2-102.0 7.2 45.6 16.5 13.4 31 34 A G S < S- 0 0 16 -3,-3.4 -4,-0.1 1,-0.2 228,-0.0 -0.338 87.7 -69.0 -93.6 174.8 48.6 18.9 13.8 32 35 A P - 0 0 21 0, 0.0 2,-0.3 0, 0.0 -30,-0.2 -0.284 48.6-163.4 -63.9 146.0 49.7 22.0 12.0 33 36 A S E -a 2 0A 40 -32,-2.7 -30,-3.8 -3,-0.1 2,-0.4 -0.788 16.5-117.1-125.5 165.1 51.0 21.6 8.4 34 37 A V E -a 3 0A 9 -2,-0.3 2,-0.4 -32,-0.2 -30,-0.2 -0.928 21.9-173.0-107.4 136.9 53.0 23.9 6.1 35 38 A A E -a 4 0A 31 -32,-3.3 -30,-3.2 -2,-0.4 2,-0.5 -0.961 20.8-134.4-122.9 141.4 51.8 25.3 2.8 36 39 A b E -a 5 0A 44 -2,-0.4 2,-0.5 -32,-0.2 -30,-0.2 -0.882 18.0-173.8-108.2 124.5 54.2 27.2 0.6 37 40 A V E -a 6 0A 32 -32,-3.5 -30,-3.5 -2,-0.5 2,-0.5 -0.942 15.5-149.3-112.5 118.5 53.4 30.5 -1.2 38 41 A K E +a 7 0A 100 -2,-0.5 2,-0.3 -32,-0.2 -30,-0.2 -0.804 21.9 173.1 -91.4 128.8 56.1 31.8 -3.6 39 42 A K E -a 8 0A 51 -32,-3.1 -30,-2.5 -2,-0.5 -26,-0.1 -0.805 38.5-119.1-126.4 170.6 56.4 35.5 -3.9 40 43 A A S S- 0 0 63 -2,-0.3 2,-0.3 -32,-0.2 136,-0.1 0.736 86.3 -6.4 -83.2 -28.8 58.9 37.8 -5.7 41 44 A S S > S- 0 0 19 -34,-0.1 4,-1.8 1,-0.1 3,-0.2 -0.951 77.3 -91.2-156.6 174.3 60.2 39.7 -2.8 42 45 A Y H > S+ 0 0 39 134,-0.3 4,-2.1 -2,-0.3 5,-0.1 0.844 121.6 59.6 -64.4 -32.0 59.7 40.3 0.9 43 46 A L H > S+ 0 0 54 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.925 102.9 49.0 -64.6 -42.8 57.4 43.1 0.1 44 47 A D H > S+ 0 0 65 1,-0.2 4,-3.0 -3,-0.2 -1,-0.2 0.916 109.8 54.8 -62.2 -38.6 55.0 40.9 -1.8 45 48 A a H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.901 106.8 49.8 -62.3 -38.3 55.2 38.6 1.2 46 49 A I H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.940 113.9 45.0 -67.2 -43.5 54.1 41.4 3.5 47 50 A R H X S+ 0 0 134 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.936 110.9 53.1 -64.8 -44.8 51.2 42.3 1.3 48 51 A A H <>S+ 0 0 3 -4,-3.0 5,-3.1 1,-0.2 6,-0.7 0.926 110.4 48.1 -56.2 -46.4 50.1 38.7 0.8 49 52 A I H ><5S+ 0 0 0 -4,-2.3 3,-1.5 4,-0.2 -1,-0.2 0.929 112.8 46.7 -61.7 -46.3 50.1 38.1 4.6 50 53 A A H 3<5S+ 0 0 35 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.875 112.9 51.2 -63.6 -35.0 48.1 41.3 5.3 51 54 A A T 3<5S- 0 0 66 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.326 118.0-115.1 -84.4 6.0 45.7 40.3 2.4 52 55 A N T < 5S+ 0 0 92 -3,-1.5 -3,-0.2 2,-0.2 -2,-0.1 0.812 84.4 117.5 65.5 33.9 45.3 36.9 4.0 53 56 A E S > - 0 0 4 -2,-0.3 3,-1.2 186,-0.2 4,-0.6 -0.478 46.7-108.2 -67.8 148.9 65.2 41.3 9.3 61 64 A A T >4 S+ 0 0 0 183,-0.5 3,-0.9 1,-0.3 4,-0.4 0.800 117.1 58.1 -51.2 -36.4 64.2 43.8 12.1 62 65 A G T >> S+ 0 0 0 1,-0.3 3,-0.9 2,-0.2 4,-0.5 0.830 102.8 52.9 -64.2 -33.3 64.4 46.9 9.9 63 66 A L H <> S+ 0 0 10 -3,-1.2 4,-1.7 1,-0.2 -1,-0.3 0.605 93.6 73.9 -77.5 -11.9 61.9 45.4 7.5 64 67 A V H S+ 0 0 32 -3,-0.9 4,-1.3 -4,-0.4 -1,-0.2 0.911 105.8 44.3 -69.3 -41.6 59.1 48.7 10.5 66 69 A D H < S+ 0 0 28 -4,-0.5 6,-0.2 1,-0.2 -2,-0.2 0.897 109.9 52.9 -69.8 -43.9 57.4 48.4 7.0 67 70 A A H < S+ 0 0 0 -4,-1.7 7,-3.0 1,-0.2 -1,-0.2 0.789 108.6 54.5 -62.0 -29.2 55.3 45.4 7.9 68 71 A Y H < S+ 0 0 64 -4,-1.2 5,-0.2 5,-0.3 -1,-0.2 0.841 86.7 89.7 -74.1 -42.2 53.9 47.3 10.9 69 72 A L S >X S- 0 0 66 -4,-1.3 4,-2.6 -3,-0.2 3,-0.8 -0.139 87.3 -69.8 -57.4 153.5 52.7 50.4 9.2 70 73 A A T 34 S+ 0 0 76 1,-0.3 -1,-0.1 2,-0.3 -2,-0.1 -0.593 116.9 35.7 -76.0 154.6 49.1 50.5 7.9 71 74 A P T 34 S+ 0 0 122 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 -0.993 127.3 45.0 -80.5 0.8 47.7 49.1 5.7 72 75 A N T <4 + 0 0 27 -3,-0.8 -2,-0.3 -6,-0.2 -4,-0.1 0.939 69.8 175.8 -68.3 -55.9 50.0 46.1 6.5 73 76 A N < + 0 0 83 -4,-2.6 179,-1.2 -5,-0.2 -5,-0.3 0.854 17.5 163.1 51.3 47.5 49.7 46.2 10.3 74 77 A L E -D 251 0B 2 -7,-3.0 234,-0.2 -5,-0.3 177,-0.2 -0.574 21.9-153.0 -93.3 160.7 51.8 43.0 10.9 75 78 A K E -D 250 0B 36 175,-3.4 175,-2.7 -2,-0.2 2,-0.3 -0.964 20.6-108.5-136.5 149.0 53.3 42.0 14.2 76 79 A P E +D 249 0B 3 0, 0.0 173,-0.3 0, 0.0 3,-0.1 -0.610 38.7 164.9 -76.2 135.0 56.3 39.9 15.2 77 80 A V E + 0 0 11 171,-2.7 225,-2.6 1,-0.4 2,-0.4 0.662 62.8 28.1-119.9 -35.3 55.4 36.6 16.8 78 81 A V E -DE 248 301B 1 170,-1.2 170,-3.4 223,-0.2 -1,-0.4 -1.000 68.6-155.9-133.6 128.9 58.5 34.4 16.9 79 82 A A E -DE 247 300B 8 221,-3.4 221,-2.7 -2,-0.4 2,-0.3 -0.794 16.0-124.6-105.6 150.3 62.0 35.7 17.1 80 83 A E E - E 0 299B 1 166,-2.5 2,-0.4 -2,-0.3 219,-0.2 -0.670 23.5-153.3 -86.0 147.7 65.2 33.9 16.0 81 84 A F E - E 0 298B 9 217,-2.2 216,-3.1 -2,-0.3 217,-1.1 -0.961 7.7-162.6-123.5 142.5 68.0 33.5 18.5 82 85 A Y E +FE 89 296B 6 7,-2.8 7,-2.8 -2,-0.4 2,-1.1 -0.639 57.5 39.6-114.0 175.6 71.7 33.1 17.8 83 86 A G E S-F 88 0B 30 212,-0.6 2,-0.3 -2,-0.2 3,-0.1 -0.712 107.3 -37.7 91.2 -97.8 74.7 31.9 19.8 84 87 A S - 0 0 26 3,-1.7 5,-0.1 -2,-1.1 213,-0.1 -0.941 45.5-107.2-155.6 175.4 73.5 28.9 21.7 85 88 A K S S+ 0 0 94 -2,-0.3 -1,-0.1 1,-0.2 -3,-0.0 0.805 120.6 51.3 -76.2 -33.1 70.7 27.3 23.6 86 89 A E S S+ 0 0 168 1,-0.3 -1,-0.2 -3,-0.1 -3,-0.0 0.778 126.9 23.6 -74.1 -28.9 72.6 27.8 26.9 87 90 A D S S- 0 0 108 -5,-0.0 -3,-1.7 2,-0.0 2,-0.5 -0.798 82.1-165.7-141.6 87.1 73.1 31.5 26.0 88 91 A P E -F 83 0B 57 0, 0.0 2,-0.6 0, 0.0 -5,-0.2 -0.705 4.0-158.0 -77.8 121.9 70.5 32.7 23.5 89 92 A Q E -F 82 0B 39 -7,-2.8 -7,-2.8 -2,-0.5 -2,-0.0 -0.900 10.9-171.6-103.6 124.2 71.3 36.0 21.9 90 93 A T S S+ 0 0 68 -2,-0.6 155,-1.3 -9,-0.2 2,-0.3 -0.187 71.4 46.4-107.7 43.1 68.3 37.9 20.5 91 94 A F E -G 244 0C 48 153,-0.3 2,-0.3 -9,-0.0 -9,-0.2 -0.945 64.5-160.6-165.6 167.1 70.5 40.5 18.8 92 95 A Y E -G 243 0C 0 151,-2.0 151,-2.8 -2,-0.3 2,-0.4 -0.899 25.6 -97.2-149.7 174.7 73.6 40.6 16.6 93 96 A Y E -G 242 0C 40 -2,-0.3 111,-1.9 149,-0.2 2,-0.4 -0.867 20.4-143.1-106.5 136.9 76.3 43.0 15.5 94 97 A A E +GH 241 203C 0 147,-3.0 146,-2.4 -2,-0.4 147,-1.0 -0.763 31.6 179.2 -91.7 133.8 76.3 45.0 12.3 95 98 A V E - H 0 202C 2 107,-2.7 107,-1.7 -2,-0.4 2,-0.6 -0.935 31.8-127.9-137.4 162.4 79.9 45.3 10.9 96 99 A A E -IH 223 201C 0 127,-0.5 127,-2.3 -2,-0.3 2,-0.5 -0.945 27.8-161.2-111.6 110.9 81.8 46.8 8.0 97 100 A V E +IH 222 200C 2 103,-2.7 103,-2.7 -2,-0.6 2,-0.3 -0.863 15.9 167.2-102.7 127.5 84.0 44.2 6.3 98 101 A V E -I 221 0C 0 123,-2.3 123,-2.5 -2,-0.5 2,-0.2 -0.830 39.2 -97.0-128.2 162.5 86.9 45.3 4.1 99 102 A K E > -I 220 0C 73 99,-0.4 3,-1.1 -2,-0.3 121,-0.3 -0.528 49.9 -94.7 -81.2 150.1 89.9 43.4 2.6 100 103 A K T 3 S+ 0 0 85 119,-3.3 -1,-0.1 1,-0.2 119,-0.0 -0.417 107.1 15.2 -65.6 138.5 93.2 43.5 4.4 101 104 A D T 3 S+ 0 0 149 -2,-0.1 -1,-0.2 1,-0.1 119,-0.0 0.740 81.6 126.5 71.9 23.6 95.6 46.3 3.2 102 105 A S < - 0 0 53 -3,-1.1 2,-0.9 2,-0.1 -2,-0.1 0.562 62.1-143.1 -85.7 -10.5 92.9 48.2 1.2 103 106 A G + 0 0 54 -4,-0.2 -1,-0.1 1,-0.1 2,-0.1 -0.175 55.1 111.4 86.9 -46.6 93.9 51.3 3.1 104 107 A F - 0 0 10 -2,-0.9 2,-0.2 4,-0.1 -2,-0.1 -0.329 46.6-154.2 -71.8 152.7 90.7 53.3 3.8 105 108 A Q > - 0 0 36 118,-0.1 3,-2.0 -2,-0.1 118,-0.1 -0.528 44.4 -79.3-110.5-178.6 89.1 53.9 7.2 106 109 A M G > S+ 0 0 33 118,-0.5 3,-0.7 1,-0.3 119,-0.1 0.857 129.0 53.6 -52.5 -37.8 85.5 54.6 8.1 107 110 A N G 3 S+ 0 0 111 1,-0.2 3,-0.3 2,-0.1 -1,-0.3 0.599 99.1 61.1 -79.0 -7.8 86.0 58.2 7.2 108 111 A Q G < + 0 0 92 -3,-2.0 -1,-0.2 1,-0.2 -2,-0.1 -0.170 67.4 116.0-110.6 40.4 87.3 57.6 3.6 109 112 A L X + 0 0 4 -3,-0.7 3,-2.0 2,-0.1 -1,-0.2 0.745 41.4 104.4 -80.6 -23.5 84.2 55.8 2.4 110 113 A R T 3 S+ 0 0 122 -3,-0.3 41,-0.2 1,-0.3 3,-0.1 -0.294 85.4 22.1 -61.0 140.7 83.1 58.4 -0.3 111 114 A G T 3 S+ 0 0 42 39,-3.2 -1,-0.3 1,-0.3 40,-0.2 0.306 98.2 120.1 86.6 -9.3 83.9 57.2 -3.8 112 115 A K < - 0 0 47 -3,-2.0 40,-2.9 38,-0.2 2,-0.5 -0.272 67.0-116.7 -81.6 170.8 84.1 53.6 -2.8 113 116 A K - 0 0 67 38,-0.2 85,-3.0 39,-0.2 86,-0.9 -0.948 35.7-154.8-109.5 129.5 81.9 50.8 -4.2 114 117 A S E -jk 154 199C 0 39,-1.3 41,-1.3 -2,-0.5 2,-0.5 -0.817 15.0-150.3-113.9 154.4 79.6 49.2 -1.5 115 118 A c E -jk 155 200C 0 84,-2.6 86,-2.7 -2,-0.3 2,-0.3 -0.978 20.8-174.7-122.5 117.5 77.9 45.9 -1.0 116 119 A H E - k 0 201C 1 39,-2.4 68,-0.2 -2,-0.5 3,-0.1 -0.842 30.6-133.3-114.2 147.9 74.7 45.9 1.0 117 120 A T S S- 0 0 1 84,-0.7 67,-2.4 -2,-0.3 2,-0.3 0.920 80.4 -44.4 -63.9 -44.0 72.5 43.0 2.2 118 121 A G > - 0 0 0 65,-0.2 3,-1.1 3,-0.1 -1,-0.3 -0.928 68.2 -77.7-179.1 160.4 69.3 44.6 1.0 119 122 A L T 3 S+ 0 0 36 38,-2.8 6,-0.1 -2,-0.3 5,-0.0 -0.539 116.0 13.7 -71.0 131.8 67.6 48.0 1.0 120 123 A G T 3 S+ 0 0 7 1,-0.3 -1,-0.2 -2,-0.2 2,-0.1 0.379 93.3 131.2 85.9 -4.7 66.0 48.7 4.4 121 124 A R <>> - 0 0 30 -3,-1.1 5,-2.9 -59,-0.1 4,-1.3 -0.464 62.5-117.8 -84.5 153.9 67.8 45.9 6.3 122 125 A S T 4>S+ 0 0 0 3,-0.2 5,-3.1 4,-0.2 3,-0.1 0.975 103.8 22.2 -52.2 -70.9 69.5 46.5 9.7 123 126 A A T 45S+ 0 0 1 1,-0.2 -1,-0.2 3,-0.2 79,-0.1 0.880 126.2 49.2 -70.1 -40.1 73.2 45.7 9.1 124 127 A G T 45S- 0 0 0 3,-0.1 -1,-0.2 -8,-0.1 -2,-0.2 0.694 134.6 -7.9 -76.8 -16.6 73.2 46.2 5.3 125 128 A W T X>S+ 0 0 8 -4,-1.3 4,-1.6 -3,-0.1 5,-0.6 0.607 122.6 55.1-143.8 -56.1 71.5 49.5 5.2 126 129 A N H >5S+ 0 0 3 0, 0.0 4,-0.9 0, 0.0 -2,-0.2 0.950 123.3 40.5 -58.2 -55.8 75.8 52.0 8.0 129 132 A I H >X5S+ 0 0 0 -4,-1.6 4,-2.1 1,-0.2 3,-0.6 0.855 111.4 59.1 -63.0 -33.2 73.8 54.6 5.9 130 133 A G H 3X< S+ 0 0 21 -4,-2.1 3,-1.7 1,-0.2 -2,-0.1 0.974 102.2 41.6 -65.6 -48.6 73.9 60.6 5.9 134 137 A d T 3< S+ 0 0 42 -4,-0.6 -1,-0.2 1,-0.3 -2,-0.1 0.839 105.3 65.4 -66.0 -29.7 73.8 63.4 8.5 135 138 A D T 3 S+ 0 0 132 -4,-0.2 -1,-0.3 1,-0.1 -2,-0.2 0.307 85.2 89.5 -73.2 7.5 77.6 63.5 8.4 136 139 A L < - 0 0 7 -3,-1.7 4,-0.1 1,-0.1 5,-0.1 -0.921 63.9-165.3-105.1 102.3 77.0 64.7 4.9 137 140 A P + 0 0 118 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.684 68.8 99.3 -61.7 -11.7 76.7 68.5 5.1 138 141 A E S S- 0 0 51 -5,-0.1 2,-2.4 1,-0.1 3,-0.1 -0.670 73.3-146.2 -79.7 110.4 75.3 68.0 1.6 139 142 A P + 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -5,-0.0 -0.457 63.4 120.8 -78.9 67.7 71.5 68.0 1.7 140 143 A R + 0 0 138 -2,-2.4 6,-0.6 -4,-0.1 7,-0.1 -0.009 37.7 146.7-109.4 24.3 71.0 65.5 -1.1 141 144 A K + 0 0 44 1,-0.2 2,-1.8 -5,-0.1 3,-0.1 0.268 26.8 106.5 -46.6 -4.5 69.2 63.8 1.8 142 145 A P S > S- 0 0 99 0, 0.0 3,-1.1 0, 0.0 2,-0.4 -0.142 82.6-137.6 -75.8 51.7 66.4 62.1 -0.2 143 146 A L T >> S+ 0 0 13 -2,-1.8 4,-2.9 1,-0.3 3,-0.8 -0.122 86.4 57.2 35.0 -86.2 68.7 59.1 0.7 144 147 A E H 3> S+ 0 0 47 -2,-0.4 4,-3.2 1,-0.3 -1,-0.3 0.823 113.3 42.4 -36.3 -51.7 68.9 56.9 -2.5 145 148 A K H <> S+ 0 0 103 -3,-1.1 4,-1.3 2,-0.2 -1,-0.3 0.863 114.8 50.4 -67.7 -36.5 70.3 59.8 -4.5 146 149 A A H X> S+ 0 0 5 -3,-0.8 4,-0.7 -6,-0.6 3,-0.6 0.980 116.8 40.5 -63.9 -54.5 72.6 60.9 -1.7 147 150 A V H >X S+ 0 0 5 -4,-2.9 4,-2.3 1,-0.2 3,-1.2 0.921 111.1 58.2 -58.9 -45.4 74.0 57.4 -1.3 148 151 A A H 3< S+ 0 0 4 -4,-3.2 -1,-0.2 -5,-0.4 -2,-0.2 0.803 113.8 39.7 -57.2 -27.0 74.0 56.9 -5.1 149 152 A N H << S+ 0 0 89 -4,-1.3 -1,-0.3 -3,-0.6 -2,-0.2 0.523 110.0 59.7 -99.9 -6.8 76.3 59.9 -5.3 150 153 A F H << S+ 0 0 17 -3,-1.2 -39,-3.2 -4,-0.7 -38,-0.2 0.896 107.2 43.6 -84.5 -47.1 78.3 59.0 -2.2 151 154 A F S < S- 0 0 5 -4,-2.3 -38,-0.2 -41,-0.2 3,-0.1 -0.598 82.9-128.0 -94.7 159.8 79.6 55.7 -3.4 152 155 A S S S- 0 0 47 -40,-2.9 -39,-0.2 1,-0.4 2,-0.1 -0.225 87.4 -21.6-100.6 43.7 80.9 55.2 -7.0 153 156 A G S S- 0 0 1 -41,-0.2 -39,-1.3 -5,-0.2 -1,-0.4 -0.082 71.6-175.5 124.1 133.5 78.6 52.2 -7.5 154 157 A S E -j 114 0C 1 12,-2.4 16,-2.2 -41,-0.2 17,-0.6 -0.844 30.8-125.3-146.1 176.2 76.8 49.8 -5.2 155 158 A e E +j 115 0C 1 -41,-1.3 -39,-2.4 -2,-0.3 13,-0.2 -0.951 35.1 165.1-128.0 100.6 74.7 46.7 -4.9 156 159 A A > - 0 0 0 11,-2.0 3,-1.9 -2,-0.5 -37,-0.1 -0.760 31.8-142.3-116.4 81.9 71.7 47.7 -2.9 157 160 A P T 3 S+ 0 0 0 0, 0.0 -38,-2.8 0, 0.0 18,-0.2 -0.114 81.7 20.9 -48.9 139.6 69.3 44.8 -3.5 158 161 A f T 3 S+ 0 0 35 16,-3.1 17,-0.1 1,-0.3 18,-0.1 0.425 93.6 126.3 81.7 -2.1 65.6 45.8 -3.8 159 162 A A S < S- 0 0 11 -3,-1.9 2,-1.0 8,-0.1 -1,-0.3 -0.386 73.5 -96.7 -77.6 165.9 66.5 49.4 -4.7 160 163 A D > - 0 0 75 1,-0.2 4,-2.5 -3,-0.1 3,-0.3 -0.769 34.5-174.5 -91.1 105.6 65.1 51.0 -7.8 161 164 A G T 4 S+ 0 0 26 -2,-1.0 -1,-0.2 12,-0.3 7,-0.1 0.606 78.5 65.9 -73.0 -13.8 67.7 50.7 -10.6 162 165 A T T 4 S+ 0 0 124 2,-0.2 -1,-0.2 1,-0.1 -2,-0.0 0.915 115.0 26.6 -75.0 -42.3 65.6 52.8 -12.9 163 166 A D T 4 S+ 0 0 99 -3,-0.3 -2,-0.2 1,-0.2 3,-0.1 0.849 137.6 31.4 -85.2 -36.1 65.8 56.0 -10.9 164 167 A F >< + 0 0 42 -4,-2.5 3,-2.5 1,-0.1 4,-0.5 -0.497 61.4 165.6-123.0 68.0 69.2 55.1 -9.3 165 168 A P G > S+ 0 0 77 0, 0.0 3,-1.5 0, 0.0 4,-0.2 0.804 76.7 67.2 -50.1 -31.7 71.3 52.9 -11.7 166 169 A Q G > S+ 0 0 63 1,-0.3 -12,-2.4 2,-0.2 3,-1.0 0.811 93.1 59.2 -58.9 -34.8 74.3 53.6 -9.5 167 170 A L G < S+ 0 0 0 -3,-2.5 -11,-2.0 1,-0.2 -1,-0.3 0.662 110.1 41.3 -70.4 -16.3 72.7 51.5 -6.7 168 171 A g G < S+ 0 0 6 -3,-1.5 3,-0.5 -4,-0.5 6,-0.3 0.180 82.0 110.1-113.2 13.6 72.5 48.4 -8.9 169 172 A Q S < S+ 0 0 101 -3,-1.0 -14,-0.2 1,-0.2 -2,-0.1 0.923 82.3 41.4 -55.7 -52.1 75.9 48.8 -10.5 170 173 A L S S+ 0 0 20 -16,-2.2 -1,-0.2 -4,-0.3 -15,-0.2 0.652 132.1 28.0 -72.3 -12.8 77.6 45.8 -8.7 171 174 A e S > S- 0 0 8 -17,-0.6 3,-3.2 -3,-0.5 -1,-0.3 -0.580 90.1-138.4-149.4 76.0 74.4 43.8 -9.3 172 175 A P T 3 S+ 0 0 119 0, 0.0 3,-0.3 0, 0.0 -3,-0.1 -0.054 91.1 18.9 -39.4 117.7 72.5 45.0 -12.4 173 176 A G T 3 S- 0 0 61 1,-0.2 -12,-0.3 -8,-0.1 -15,-0.1 0.104 96.7-121.4 103.8 -21.7 68.8 45.0 -11.6 174 177 A g < - 0 0 3 -3,-3.2 -16,-3.1 -6,-0.3 -1,-0.2 0.890 38.4-154.8 49.2 43.1 69.2 45.0 -7.7 175 178 A G - 0 0 31 -3,-0.3 2,-0.4 -4,-0.3 -1,-0.2 -0.235 10.4-140.0 -52.2 135.7 67.2 41.8 -7.6 176 179 A f S S+ 0 0 24 -19,-0.2 -134,-0.3 -136,-0.1 2,-0.3 -0.300 72.4 52.2 -96.9 47.5 65.4 41.3 -4.3 177 180 A S S > S- 0 0 12 -2,-0.4 3,-1.9 -136,-0.1 6,-0.2 -0.952 99.7 -82.0-163.6 176.9 66.0 37.6 -3.8 178 181 A T T 3 S+ 0 0 32 -170,-0.4 5,-0.1 1,-0.3 -169,-0.1 0.587 113.0 80.9 -69.2 -8.2 68.6 34.9 -3.8 179 182 A L T 3 S+ 0 0 98 3,-0.1 2,-0.7 2,-0.1 -1,-0.3 0.794 80.7 77.1 -66.8 -21.0 68.5 34.7 -7.6 180 183 A N S X S- 0 0 21 -3,-1.9 3,-2.0 1,-0.1 -1,-0.1 -0.805 82.3-149.4 -86.5 112.4 70.7 37.8 -7.2 181 184 A Q T 3 S+ 0 0 99 -2,-0.7 9,-0.2 1,-0.3 -1,-0.1 0.721 95.7 53.5 -56.7 -23.6 74.1 36.3 -6.3 182 185 A Y T 3 S+ 0 0 17 8,-0.1 -1,-0.3 6,-0.1 2,-0.2 0.177 85.4 119.2 -98.1 17.6 74.9 39.4 -4.3 183 186 A F <> - 0 0 43 -3,-2.0 4,-0.9 4,-0.2 -65,-0.2 -0.556 63.2 -1.1 -86.3 145.5 71.8 39.3 -2.2 184 187 A G H > S- 0 0 6 -67,-2.4 4,-2.8 -2,-0.2 5,-0.2 -0.106 106.8 -44.8 75.3-172.4 71.7 39.0 1.6 185 188 A Y H > S+ 0 0 2 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.932 141.8 37.5 -60.5 -51.6 74.5 38.7 4.1 186 189 A S H > S+ 0 0 14 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.770 114.6 56.5 -74.2 -23.6 76.5 36.1 2.2 187 190 A G H X S+ 0 0 6 -4,-0.9 4,-1.9 2,-0.2 -4,-0.2 0.940 109.6 45.6 -70.8 -46.7 75.6 37.7 -1.1 188 191 A A H X S+ 0 0 0 -4,-2.8 4,-1.2 1,-0.2 -2,-0.2 0.848 111.9 50.8 -65.0 -36.8 77.1 41.0 0.1 189 192 A F H X S+ 0 0 3 -4,-1.8 4,-3.1 2,-0.2 3,-0.4 0.918 109.2 51.9 -67.9 -39.1 80.2 39.3 1.5 190 193 A K H X S+ 0 0 72 -4,-2.0 4,-3.5 1,-0.2 6,-0.3 0.889 102.1 60.5 -62.0 -36.7 80.6 37.6 -1.9 191 194 A c H <>S+ 0 0 0 -4,-1.9 5,-1.7 1,-0.2 6,-1.5 0.877 112.2 38.5 -57.2 -38.7 80.4 41.0 -3.6 192 195 A L H ><5S+ 0 0 2 -4,-1.2 3,-2.1 -3,-0.4 -2,-0.2 0.925 115.0 52.7 -77.7 -47.7 83.5 42.0 -1.6 193 196 A K H 3<5S+ 0 0 82 -4,-3.1 -2,-0.2 1,-0.3 -3,-0.2 0.949 106.7 52.7 -52.6 -53.0 85.2 38.7 -2.0 194 197 A D T 3<5S- 0 0 72 -4,-3.5 -1,-0.3 -5,-0.2 -2,-0.2 0.447 116.4-120.4 -60.1 -5.5 84.8 38.8 -5.8 195 198 A G T < 5S+ 0 0 48 -3,-2.1 -3,-0.2 -5,-0.2 -2,-0.1 0.664 80.8 123.5 72.4 15.2 86.4 42.2 -5.6 196 199 A A S -H 94 0C 3 -109,-0.2 3,-1.6 -2,-0.1 4,-0.4 -0.733 45.6-100.7-110.1 164.3 76.8 40.9 10.5 204 207 A H T 3 S+ 0 0 20 -111,-1.9 4,-0.3 1,-0.3 31,-0.1 0.604 118.5 47.7 -59.7 -17.9 79.6 39.7 12.7 205 208 A S T 3> S+ 0 0 20 -112,-0.2 4,-2.2 2,-0.1 -1,-0.3 0.524 84.6 94.4-100.5 -6.0 79.2 36.0 11.8 206 209 A T H <> S+ 0 0 0 -3,-1.6 4,-0.8 2,-0.2 -2,-0.1 0.908 87.7 41.6 -51.9 -54.9 79.0 36.5 8.0 207 210 A I H >> S+ 0 0 5 -4,-0.4 4,-3.4 1,-0.2 3,-1.5 0.936 112.7 54.8 -62.0 -44.0 82.7 35.9 7.2 208 211 A F H 34 S+ 0 0 62 -4,-0.3 -1,-0.2 1,-0.3 -2,-0.2 0.879 107.3 51.6 -57.9 -35.7 82.9 33.0 9.7 209 212 A E H 3< S+ 0 0 49 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.690 120.5 34.5 -73.1 -18.4 80.0 31.4 7.8 210 213 A N H << S+ 0 0 55 -3,-1.5 2,-0.7 -4,-0.8 -2,-0.2 0.716 110.9 54.4-110.3 -29.5 81.8 31.8 4.5 211 214 A L < - 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