==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL TRANSPORT 22-DEC-03 1RYO . COMPND 2 MOLECULE: SEROTRANSFERRIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.J.HALBROOKS,A.B.MASON,T.E.ADAMS,S.K.BRIGGS,S.J.EVERSE . 324 1 7 7 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13904.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 215 66.4 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 . 39 12.0 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 . 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 . 16 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 82 25.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.5 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 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 3 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 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 0 162 0, 0.0 32,-1.6 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0-175.4 29.5 30.1 60.2 2 5 A T E -a 33 0A 59 30,-0.2 2,-0.6 32,-0.0 32,-0.2 -0.912 360.0-147.7-113.1 129.9 29.7 32.5 57.3 3 6 A V E -a 34 0A 1 30,-2.6 32,-2.7 -2,-0.5 2,-0.9 -0.823 14.0-142.9 -93.7 122.0 32.0 35.5 57.0 4 7 A R E -a 35 0A 62 -2,-0.6 51,-2.9 30,-0.2 52,-1.8 -0.770 20.6-158.5 -87.5 105.6 30.4 38.4 55.0 5 8 A W E -ab 36 56A 1 30,-3.2 32,-2.8 -2,-0.9 2,-0.7 -0.689 10.8-133.2 -88.6 137.0 33.3 39.9 53.0 6 9 A a E -a 37 0A 1 50,-2.7 2,-0.4 -2,-0.4 52,-0.3 -0.805 21.7-168.0 -94.8 114.5 33.0 43.4 51.7 7 10 A A E -a 38 0A 0 30,-2.4 32,-2.9 -2,-0.7 2,-0.8 -0.858 15.1-138.6-102.0 133.4 34.1 43.7 48.1 8 11 A V E > -a 39 0A 14 -2,-0.4 4,-0.6 30,-0.2 170,-0.4 -0.830 62.9 -31.1 -99.4 109.9 34.6 47.2 46.6 9 12 A S H > S- 0 0 6 30,-2.8 4,-1.9 -2,-0.8 5,-0.1 0.066 93.1 -53.6 72.6 178.0 33.2 47.4 43.0 10 13 A E H > S+ 0 0 93 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.787 126.2 53.8 -59.3 -40.3 32.8 44.8 40.3 11 14 A H H > S+ 0 0 72 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.954 114.3 42.5 -64.0 -47.9 36.4 43.4 40.0 12 15 A E H X S+ 0 0 28 -4,-0.6 4,-2.8 1,-0.2 -1,-0.2 0.867 111.7 56.1 -65.1 -35.7 36.6 42.6 43.7 13 16 A A H X S+ 0 0 21 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.911 107.4 49.2 -62.5 -41.5 33.0 41.3 43.6 14 17 A T H X S+ 0 0 49 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.941 113.6 45.3 -63.1 -47.0 34.0 38.9 40.8 15 18 A K H X S+ 0 0 1 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.891 111.5 53.5 -64.5 -37.7 37.1 37.7 42.7 16 19 A b H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.883 106.9 51.6 -64.0 -39.0 35.0 37.4 45.9 17 20 A Q H X S+ 0 0 70 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.908 111.5 47.2 -63.0 -42.4 32.4 35.2 44.1 18 21 A S H X S+ 0 0 19 -4,-2.0 4,-3.0 2,-0.2 5,-0.3 0.888 109.5 54.0 -65.4 -39.5 35.3 33.0 43.0 19 22 A F H X S+ 0 0 1 -4,-2.4 4,-2.3 2,-0.2 5,-0.2 0.945 111.2 46.0 -59.0 -48.6 36.7 32.9 46.5 20 23 A R H X S+ 0 0 87 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.936 115.1 46.4 -59.6 -50.2 33.3 31.7 47.8 21 24 A D H X S+ 0 0 59 -4,-2.6 4,-0.9 1,-0.2 -2,-0.2 0.904 114.7 45.1 -62.3 -45.2 32.9 29.1 45.1 22 25 A H H X S+ 0 0 49 -4,-3.0 4,-0.7 2,-0.2 3,-0.2 0.866 111.4 52.5 -70.0 -35.5 36.4 27.7 45.4 23 26 A M H >X S+ 0 0 2 -4,-2.3 4,-2.5 -5,-0.3 3,-1.2 0.933 108.2 51.9 -64.4 -42.5 36.3 27.6 49.2 24 27 A K H 3< S+ 0 0 111 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.751 104.3 58.7 -64.5 -22.7 33.1 25.6 49.0 25 28 A S H 3< S+ 0 0 85 -4,-0.9 -1,-0.3 -3,-0.2 -2,-0.2 0.666 121.2 23.1 -81.5 -16.7 34.7 23.2 46.6 26 29 A V H << S+ 0 0 63 -3,-1.2 -2,-0.2 -4,-0.7 -1,-0.1 0.512 109.7 78.9-124.2 -11.7 37.4 22.2 49.1 27 30 A I S < S- 0 0 16 -4,-2.5 -1,-0.0 -5,-0.2 6,-0.0 -0.841 80.3-116.3-103.6 136.4 35.9 23.1 52.5 28 31 A P > - 0 0 77 0, 0.0 3,-2.7 0, 0.0 -2,-0.1 -0.219 31.5-103.9 -65.8 158.8 33.3 20.8 54.2 29 32 A S T 3 S+ 0 0 135 1,-0.3 4,-0.0 -5,-0.0 -2,-0.0 0.709 124.4 50.9 -55.9 -21.5 29.8 22.0 54.8 30 33 A D T 3 S+ 0 0 135 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.341 97.8 89.3 -98.8 5.1 30.7 22.5 58.5 31 34 A G S < S- 0 0 15 -3,-2.7 2,-0.1 1,-0.2 -4,-0.1 -0.277 92.7 -63.5 -92.9-177.7 33.8 24.5 57.7 32 35 A P - 0 0 4 0, 0.0 2,-0.3 0, 0.0 -30,-0.2 -0.423 53.9-172.5 -69.8 138.9 34.3 28.3 57.2 33 36 A S E -a 2 0A 30 -32,-1.6 -30,-2.6 -2,-0.1 2,-0.4 -0.865 12.8-138.5-128.0 163.4 32.4 29.9 54.3 34 37 A V E -a 3 0A 5 -2,-0.3 2,-0.3 -32,-0.2 -30,-0.2 -0.971 10.4-168.6-128.1 140.7 32.4 33.3 52.7 35 38 A A E -a 4 0A 32 -32,-2.7 -30,-3.2 -2,-0.4 2,-0.5 -0.874 21.9-126.0-120.3 154.6 29.6 35.5 51.4 36 39 A b E -a 5 0A 49 -2,-0.3 2,-0.5 -32,-0.2 -30,-0.2 -0.904 19.6-175.6-114.2 130.8 30.0 38.6 49.3 37 40 A V E -a 6 0A 34 -32,-2.8 -30,-2.4 -2,-0.5 2,-0.4 -0.978 21.0-146.2-119.5 114.1 28.6 42.1 50.0 38 41 A K E +a 7 0A 110 -2,-0.5 2,-0.3 -32,-0.2 -30,-0.2 -0.688 22.2 171.9 -89.6 132.3 29.4 44.6 47.2 39 42 A K E -a 8 0A 61 -32,-2.9 -30,-2.8 -2,-0.4 -26,-0.1 -0.894 37.4-129.5-132.1 161.6 30.0 48.3 48.0 40 43 A A S S+ 0 0 67 -2,-0.3 2,-0.3 -32,-0.2 136,-0.1 0.672 89.7 13.2 -85.8 -18.6 31.2 51.3 45.9 41 44 A S S >> S- 0 0 13 -34,-0.1 4,-1.3 1,-0.1 3,-0.7 -0.988 73.7-112.4-154.1 157.3 33.9 52.4 48.3 42 45 A Y H 3> S+ 0 0 25 134,-0.4 4,-2.3 -2,-0.3 5,-0.2 0.795 115.5 65.3 -62.2 -26.6 35.8 51.1 51.4 43 46 A L H 3> S+ 0 0 81 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.890 100.5 48.4 -62.1 -40.2 34.0 53.8 53.3 44 47 A D H <> S+ 0 0 74 -3,-0.7 4,-2.3 1,-0.2 -1,-0.2 0.820 109.0 55.0 -68.7 -31.6 30.7 52.1 52.7 45 48 A a H X S+ 0 0 0 -4,-1.3 4,-2.5 2,-0.2 -2,-0.2 0.920 105.9 50.5 -66.4 -44.6 32.4 48.8 53.8 46 49 A I H X S+ 0 0 5 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.939 113.1 46.2 -58.7 -46.5 33.5 50.3 57.2 47 50 A R H X S+ 0 0 124 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.906 111.0 52.8 -63.1 -41.9 29.9 51.6 57.8 48 51 A A H <>S+ 0 0 3 -4,-2.3 5,-3.2 2,-0.2 6,-0.9 0.902 109.1 48.8 -61.6 -42.9 28.4 48.2 56.8 49 52 A I H ><5S+ 0 0 0 -4,-2.5 3,-1.6 4,-0.2 -1,-0.2 0.937 111.8 48.6 -64.6 -44.1 30.7 46.3 59.2 50 53 A A H 3<5S+ 0 0 41 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.850 111.7 51.0 -63.1 -32.3 29.8 48.7 62.1 51 54 A A T 3<5S- 0 0 53 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.324 116.7-113.8 -87.3 6.8 26.1 48.3 61.2 52 55 A N T < 5S+ 0 0 95 -3,-1.6 -3,-0.2 2,-0.2 -2,-0.1 0.847 87.9 115.3 62.9 36.9 26.3 44.5 61.2 53 56 A E S > - 0 0 3 -2,-0.4 4,-1.7 186,-0.2 3,-0.8 -0.362 45.7-107.2 -62.1 150.3 45.5 50.0 54.0 61 64 A A H 3> S+ 0 0 0 183,-0.5 4,-1.8 1,-0.3 -1,-0.1 0.801 119.4 57.0 -56.5 -33.7 47.0 51.1 57.4 62 65 A G H 3> S+ 0 0 0 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.890 110.7 44.9 -64.5 -36.3 46.0 54.7 57.0 63 66 A L H <> S+ 0 0 1 -3,-0.8 4,-2.6 2,-0.2 -2,-0.2 0.770 104.6 62.1 -77.4 -26.7 42.4 53.6 56.5 64 67 A V H X S+ 0 0 1 -4,-1.7 4,-1.1 2,-0.2 -2,-0.2 0.921 104.3 50.0 -63.1 -41.7 42.7 51.2 59.5 65 68 A Y H >X S+ 0 0 26 -4,-1.8 3,-1.0 1,-0.2 4,-0.9 0.959 111.1 47.8 -59.8 -51.3 43.3 54.3 61.6 66 69 A D H >< S+ 0 0 38 -4,-1.6 3,-0.8 1,-0.3 -2,-0.2 0.875 107.9 55.9 -57.0 -40.3 40.3 56.0 60.2 67 70 A A H 3< S+ 0 0 0 -4,-2.6 7,-2.7 1,-0.2 -1,-0.3 0.720 101.2 58.8 -66.3 -22.6 38.1 52.9 60.7 68 71 A Y H << S+ 0 0 55 -4,-1.1 -1,-0.2 -3,-1.0 -2,-0.2 0.752 87.3 96.3 -78.7 -24.6 39.0 52.9 64.4 69 72 A L S XX S- 0 0 60 -4,-0.9 4,-1.8 -3,-0.8 3,-1.4 -0.231 83.4 -53.1 -66.2 153.6 37.6 56.4 64.9 70 73 A A T 34 S+ 0 0 80 1,-0.3 -1,-0.1 2,-0.2 -2,-0.1 -0.330 116.1 23.7 -63.4 151.2 34.1 56.9 66.3 71 74 A P T 34 S+ 0 0 98 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 -0.940 128.8 41.4 -95.8 16.7 31.4 55.9 65.5 72 75 A N T <4 - 0 0 22 -3,-1.4 -2,-0.2 -6,-0.2 -4,-0.1 0.905 67.5-179.0 -86.5 -45.8 32.8 52.9 63.7 73 76 A N < + 0 0 80 -4,-1.8 -5,-0.3 -7,-0.2 179,-0.3 0.835 16.1 175.5 48.1 44.3 35.5 51.7 66.1 74 77 A L - 0 0 3 -7,-2.7 234,-0.4 -5,-0.3 177,-0.2 -0.419 17.4-142.3 -77.8 156.7 36.6 48.8 64.0 75 78 A K E -D 250 0B 58 175,-2.9 175,-2.2 232,-0.1 2,-0.3 -0.915 16.0-112.1-122.5 147.3 39.6 46.7 65.1 76 79 A P E +D 249 0B 3 0, 0.0 173,-0.3 0, 0.0 3,-0.1 -0.604 40.0 163.7 -76.0 132.6 42.4 45.0 63.1 77 80 A V E + 0 0 15 171,-3.0 225,-2.2 1,-0.3 2,-0.4 0.668 60.8 26.4-122.2 -28.5 42.1 41.2 63.3 78 81 A V E -DE 248 301B 1 170,-1.2 170,-3.4 223,-0.2 -1,-0.3 -0.971 68.6-154.3-142.4 124.2 44.3 39.6 60.5 79 82 A A E -DE 247 300B 5 221,-2.9 221,-2.4 -2,-0.4 168,-0.2 -0.727 12.5-130.1-101.5 146.8 47.4 41.2 59.0 80 83 A E E - E 0 299B 0 166,-2.7 2,-0.3 -2,-0.3 219,-0.2 -0.560 22.9-157.5 -82.8 154.8 48.9 40.6 55.6 81 84 A F E - E 0 298B 15 217,-1.8 216,-3.0 -2,-0.2 217,-1.0 -0.975 6.4-161.5-133.2 150.8 52.6 39.9 55.4 82 85 A Y E +FE 89 296B 3 7,-2.9 7,-2.3 -2,-0.3 2,-1.5 -0.524 55.2 48.8-119.1-174.8 55.0 40.4 52.5 83 86 A G E S-F 88 0B 36 212,-0.5 2,-0.3 5,-0.2 3,-0.1 -0.640 108.2 -40.0 86.3 -87.7 58.4 39.3 51.3 84 87 A S - 0 0 33 -2,-1.5 213,-0.1 3,-0.7 5,-0.1 -0.970 49.4-104.0-166.0 166.5 58.2 35.5 51.7 85 88 A K S S+ 0 0 106 -2,-0.3 -1,-0.1 1,-0.2 -3,-0.0 0.833 121.1 52.9 -68.6 -31.7 56.9 32.9 54.1 86 89 A E S S+ 0 0 164 1,-0.3 -1,-0.2 -3,-0.1 -3,-0.0 0.856 125.1 23.4 -71.3 -37.4 60.5 32.3 55.3 87 90 A D S S- 0 0 105 -5,-0.0 -3,-0.7 2,-0.0 -1,-0.3 -0.672 84.8-164.1-131.2 76.4 61.0 36.0 56.1 88 91 A P E -F 83 0B 62 0, 0.0 2,-0.5 0, 0.0 -5,-0.2 -0.402 2.9-156.1 -66.1 132.6 57.6 37.6 56.7 89 92 A Q E -F 82 0B 33 -7,-2.3 -7,-2.9 -2,-0.1 -2,-0.0 -0.953 12.7-170.0-112.7 121.8 57.5 41.4 56.5 90 93 A T S S+ 0 0 70 -2,-0.5 155,-1.8 -9,-0.2 2,-0.3 -0.104 74.5 47.2-100.0 34.7 54.7 43.1 58.4 91 94 A F E -G 244 0C 56 153,-0.3 2,-0.3 -9,-0.0 -9,-0.2 -0.946 65.0-159.8-159.0 168.5 55.6 46.4 56.8 92 95 A Y E -G 243 0C 0 151,-2.0 151,-2.6 -2,-0.3 2,-0.4 -0.934 26.0 -97.5-150.5 171.9 56.5 47.9 53.4 93 96 A Y E -G 242 0C 26 -2,-0.3 111,-1.7 149,-0.2 2,-0.5 -0.832 20.3-144.5-103.6 132.8 58.2 50.9 51.9 94 97 A A E +GH 241 203C 0 147,-2.9 146,-2.9 -2,-0.4 147,-1.0 -0.802 31.7 176.0 -90.0 127.8 56.5 54.0 50.6 95 98 A V E - H 0 202C 1 107,-2.8 107,-1.5 -2,-0.5 2,-0.5 -0.851 32.6-130.4-131.5 166.7 58.4 55.4 47.5 96 99 A A E - H 0 201C 0 127,-0.4 127,-2.2 142,-0.3 2,-0.4 -0.945 26.6-159.7-121.0 106.1 58.1 58.1 44.9 97 100 A V E +IH 222 200C 2 103,-2.7 103,-2.4 -2,-0.5 2,-0.3 -0.702 16.8 167.5 -91.6 136.6 58.5 56.8 41.4 98 101 A V E -IH 221 199C 0 123,-2.7 123,-2.7 -2,-0.4 2,-0.3 -0.876 38.4 -93.4-138.2 168.6 59.4 59.1 38.5 99 102 A K E > -I 220 0C 73 99,-0.5 3,-1.5 -2,-0.3 121,-0.3 -0.658 51.2 -95.0 -88.0 144.7 60.6 58.8 34.9 100 103 A K T 3 S+ 0 0 99 119,-2.7 -1,-0.1 -2,-0.3 119,-0.0 -0.287 104.9 8.4 -58.8 137.3 64.3 58.8 34.2 101 104 A D T 3 S+ 0 0 136 1,-0.1 -1,-0.2 3,-0.1 119,-0.0 0.615 79.2 134.6 68.2 17.1 65.7 62.2 33.3 102 105 A S < - 0 0 51 -3,-1.5 -2,-0.1 2,-0.1 -1,-0.1 0.581 66.2-126.7 -73.3 -6.8 62.5 64.2 34.1 103 106 A G + 0 0 66 1,-0.1 2,-0.3 0, 0.0 -3,-0.1 0.803 63.8 99.6 71.8 37.8 64.7 66.7 35.8 104 107 A F - 0 0 3 5,-0.0 2,-0.2 3,-0.0 -1,-0.1 -0.997 47.3-150.4-153.5 149.3 63.5 67.3 39.4 105 108 A Q > - 0 0 48 -2,-0.3 3,-2.2 118,-0.1 118,-0.1 -0.531 45.1 -87.4-107.8 177.9 64.2 66.2 43.0 106 109 A M G > S+ 0 0 15 118,-0.5 3,-1.1 1,-0.3 119,-0.1 0.856 127.3 54.9 -54.0 -39.6 61.9 65.9 46.0 107 110 A N G 3 S+ 0 0 95 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.313 104.6 56.5 -80.7 11.7 62.4 69.6 46.9 108 111 A Q G < + 0 0 93 -3,-2.2 -1,-0.3 1,-0.1 -2,-0.2 0.018 68.8 110.5-127.2 23.7 61.3 70.6 43.4 109 112 A L X + 0 0 1 -3,-1.1 3,-2.4 2,-0.1 -2,-0.1 0.697 44.5 112.4 -73.8 -19.0 57.8 68.9 43.4 110 113 A R T 3 S+ 0 0 134 1,-0.3 41,-0.2 41,-0.1 3,-0.1 -0.327 86.2 14.6 -57.2 129.4 56.0 72.2 43.5 111 114 A G T 3 S+ 0 0 38 39,-2.5 -1,-0.3 1,-0.3 40,-0.2 0.398 101.0 117.4 87.2 -5.0 54.2 72.7 40.2 112 115 A K < - 0 0 55 -3,-2.4 40,-2.3 38,-0.1 2,-0.5 -0.406 69.8-105.3 -89.1 170.9 54.5 69.0 39.1 113 116 A K - 0 0 64 38,-0.2 85,-2.9 39,-0.2 86,-1.2 -0.854 36.0-152.4-101.6 133.5 51.6 66.6 38.5 114 117 A S E -jk 154 199C 0 39,-1.7 41,-1.7 -2,-0.5 2,-0.5 -0.853 14.5-159.9-115.1 142.3 51.0 63.9 41.1 115 118 A c E -jk 155 200C 0 84,-2.3 86,-2.3 -2,-0.4 2,-0.3 -0.965 19.1-175.7-116.6 115.3 49.5 60.5 41.0 116 119 A H E - 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0 0 0 11,-2.3 3,-2.0 -2,-0.4 -37,-0.1 -0.778 29.3-142.4-125.6 83.2 43.8 61.7 44.5 157 160 A P T 3 S+ 0 0 0 0, 0.0 -38,-3.0 0, 0.0 18,-0.2 -0.135 82.4 23.5 -48.8 139.4 41.2 58.9 44.4 158 161 A e T 3 S+ 0 0 30 16,-2.9 18,-0.1 1,-0.3 17,-0.1 0.245 91.1 127.3 85.5 -8.1 38.3 59.3 46.9 159 162 A A S < S- 0 0 6 -3,-2.0 2,-1.0 8,-0.2 -1,-0.3 -0.438 72.9-103.0 -75.6 154.2 38.8 63.1 47.2 160 163 A D > - 0 0 82 1,-0.2 4,-2.7 -2,-0.1 3,-0.4 -0.692 30.3-165.4 -82.0 104.8 35.7 65.2 46.6 161 164 A G T 4 S+ 0 0 27 -2,-1.0 -1,-0.2 12,-0.3 7,-0.1 0.663 83.7 62.7 -64.0 -18.0 36.1 66.6 43.1 162 165 A T T 4 S+ 0 0 124 2,-0.2 -1,-0.2 1,-0.1 -2,-0.0 0.936 115.3 29.2 -72.4 -46.5 33.4 69.2 43.6 163 166 A D T 4 S+ 0 0 106 -3,-0.4 -2,-0.2 1,-0.2 -1,-0.1 0.811 135.6 29.9 -82.7 -33.1 35.4 70.9 46.4 164 167 A F >< + 0 0 23 -4,-2.7 3,-1.8 1,-0.1 4,-0.3 -0.530 67.8 165.6-127.6 66.4 38.9 70.1 45.2 165 168 A P G > S+ 0 0 74 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.804 72.5 62.4 -51.3 -37.1 38.6 69.8 41.3 166 169 A Q G > S+ 0 0 54 1,-0.3 -12,-2.2 2,-0.2 3,-1.1 0.753 91.7 67.5 -64.6 -22.8 42.4 69.9 40.8 167 170 A L G < S+ 0 0 0 -3,-1.8 -11,-2.3 1,-0.2 -1,-0.3 0.581 106.6 40.0 -73.6 -7.9 42.7 66.7 42.7 168 171 A f G X S+ 0 0 8 -3,-1.9 3,-0.7 -4,-0.3 6,-0.2 0.186 80.1 109.1-121.7 14.0 40.9 64.8 39.9 169 172 A Q T < S+ 0 0 107 -3,-1.1 -14,-0.2 -15,-0.4 -2,-0.1 0.845 88.1 39.8 -59.1 -34.0 42.5 66.6 37.0 170 173 A L T 3 S+ 0 0 17 -16,-2.4 -1,-0.3 -4,-0.3 -15,-0.2 0.527 132.2 25.8 -92.8 -8.6 44.4 63.4 36.2 171 174 A d S X S- 0 0 5 -3,-0.7 3,-2.8 -17,-0.5 -1,-0.2 -0.525 88.9-136.8-154.6 78.3 41.4 61.1 36.9 172 175 A P T 3 S+ 0 0 121 0, 0.0 3,-0.4 0, 0.0 -3,-0.1 -0.038 89.1 17.1 -40.0 125.6 38.1 62.9 36.5 173 176 A G T 3 S- 0 0 62 1,-0.2 -12,-0.3 -8,-0.1 -15,-0.1 0.100 96.4-121.0 95.8 -22.3 35.7 62.1 39.3 174 177 A f < - 0 0 4 -3,-2.8 -16,-2.9 -6,-0.2 -1,-0.2 0.904 37.5-153.1 49.8 46.3 38.4 60.7 41.7 175 178 A G - 0 0 29 -3,-0.4 2,-0.4 -4,-0.2 -1,-0.1 -0.210 10.2-141.3 -52.8 137.3 36.7 57.4 41.8 176 179 A e S S+ 0 0 19 -19,-0.2 -134,-0.4 -136,-0.1 2,-0.3 -0.295 74.5 46.1 -99.2 48.0 37.3 55.4 45.0 177 180 A S S > S- 0 0 6 -2,-0.4 3,-2.3 -136,-0.1 6,-0.2 -0.960 103.5 -78.6-168.9 174.8 37.6 51.9 43.5 178 181 A T T 3 S+ 0 0 34 -170,-0.4 -169,-0.1 1,-0.3 5,-0.1 0.508 113.4 83.4 -67.3 -1.6 39.2 50.0 40.6 179 182 A L T 3 S+ 0 0 126 1,-0.1 2,-0.7 2,-0.1 -1,-0.3 0.814 83.5 69.2 -66.6 -28.2 36.4 51.4 38.4 180 183 A N S X S- 0 0 20 -3,-2.3 3,-2.0 1,-0.1 -1,-0.1 -0.835 84.6-150.0 -89.9 112.9 38.9 54.3 38.3 181 184 A Q T 3 S+ 0 0 109 -2,-0.7 9,-0.2 1,-0.3 -1,-0.1 0.658 94.6 53.7 -61.2 -16.1 41.8 53.0 36.3 182 185 A Y T 3 S+ 0 0 23 8,-0.1 -1,-0.3 7,-0.1 2,-0.2 0.226 84.2 113.4-104.3 15.5 44.2 55.3 38.3 183 186 A F <> + 0 0 34 -3,-2.0 4,-0.8 -6,-0.2 -65,-0.2 -0.579 67.0 7.1 -85.3 146.0 43.1 54.1 41.8 184 187 A G H > S- 0 0 9 -67,-2.2 4,-2.8 -2,-0.2 5,-0.2 -0.076 107.4 -47.9 79.2-179.9 45.5 52.1 44.0 185 188 A Y H > S+ 0 0 14 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.942 139.9 38.2 -55.2 -54.7 49.2 51.3 43.7 186 189 A S H > S+ 0 0 19 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.769 114.4 55.8 -73.1 -22.9 49.0 50.1 40.1 187 190 A G H X S+ 0 0 5 -4,-0.8 4,-2.1 2,-0.2 -4,-0.2 0.926 108.7 46.8 -72.2 -44.4 46.5 52.8 39.2 188 191 A A H X S+ 0 0 0 -4,-2.8 4,-1.4 1,-0.2 -2,-0.2 0.896 111.8 52.1 -63.9 -38.0 48.8 55.5 40.4 189 192 A F H X S+ 0 0 2 -4,-1.9 4,-3.0 -5,-0.2 -1,-0.2 0.908 108.2 50.5 -64.4 -40.2 51.7 53.8 38.5 190 193 A K H X S+ 0 0 74 -4,-1.9 4,-3.2 1,-0.2 6,-0.3 0.875 104.1 59.2 -64.0 -35.9 49.6 53.7 35.3 191 194 A c H <>S+ 0 0 0 -4,-2.1 6,-1.7 2,-0.2 5,-1.5 0.883 112.1 40.3 -59.2 -38.2 48.9 57.5 35.8 192 195 A L H ><5S+ 0 0 0 -4,-1.4 3,-1.2 4,-0.2 -2,-0.2 0.941 114.9 51.1 -74.8 -49.8 52.7 58.0 35.7 193 196 A K H 3<5S+ 0 0 98 -4,-3.0 -2,-0.2 1,-0.3 -3,-0.2 0.889 107.9 52.3 -55.3 -43.9 53.3 55.5 32.9 194 197 A D T 3<5S- 0 0 81 -4,-3.2 -1,-0.3 -5,-0.2 -2,-0.2 0.650 117.5-112.4 -69.0 -16.2 50.6 57.0 30.6 195 198 A G T < 5S+ 0 0 53 -3,-1.2 -3,-0.2 -4,-0.4 -2,-0.1 0.536 85.3 117.9 96.7 6.8 52.2 60.5 31.1 196 199 A A S -H 94 0C 2 -109,-0.2 3,-1.0 -2,-0.2 4,-0.5 -0.630 43.9-101.2-107.1 170.1 55.1 51.1 47.3 204 207 A H T 3 S+ 0 0 21 -111,-1.7 4,-0.3 1,-0.2 3,-0.2 0.741 118.9 49.0 -61.3 -25.2 58.4 49.4 46.6 205 208 A S T 3> S+ 0 0 17 -112,-0.2 4,-1.6 1,-0.1 3,-0.3 0.643 86.6 91.7 -88.5 -15.0 56.9 46.4 44.8 206 209 A T H <> S+ 0 0 0 -3,-1.0 4,-0.7 1,-0.2 3,-0.5 0.875 85.8 43.8 -50.3 -52.9 54.7 48.5 42.5 207 210 A I H >> S+ 0 0 4 -4,-0.5 4,-1.9 1,-0.2 3,-0.8 0.884 112.5 54.4 -64.9 -33.4 56.9 48.9 39.5 208 211 A F H 34 S+ 0 0 69 -4,-0.3 -1,-0.2 -3,-0.3 -2,-0.2 0.794 105.2 53.8 -68.6 -26.9 58.0 45.3 39.7 209 212 A E H 3< S+ 0 0 40 -4,-1.6 -1,-0.2 -3,-0.5 -2,-0.2 0.626 118.0 36.7 -79.5 -14.4 54.3 44.2 39.6 210 213 A N H << S+ 0 0 48 -3,-0.8 2,-0.4 -4,-0.7 -2,-0.2 0.608 117.0 43.5-114.3 -17.9 53.8 46.2 36.4 211 214 A L < - 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