==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL TRANSPORT 18-JUL-00 1FCK . COMPND 2 MOLECULE: LACTOFERRIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.M.BAKER,C.J.BAKER,C.A.SMITH,E.N.BAKER . 691 1 16 16 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28661.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 458 66.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 4.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 68 9.8 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 . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 2 0.3 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 . 32 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 95 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 170 24.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 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 1 3 1 1 2 5 3 2 1 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 4 0 1 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 PARALLEL BRIDGES PER LADDER . 0 1 7 7 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 . 1 2 2 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 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 R 0 0 118 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 56.0 -31.3 4.1 33.0 2 2 A R + 0 0 251 2,-0.1 2,-0.3 0, 0.0 0, 0.0 0.873 360.0 68.3 -38.5 -60.2 -29.8 7.5 33.8 3 3 A R - 0 0 104 1,-0.2 3,-0.1 3,-0.0 0, 0.0 -0.525 62.2-171.5 -68.6 125.1 -30.1 8.8 30.2 4 4 A R - 0 0 209 1,-0.3 2,-0.2 -2,-0.3 -1,-0.2 0.793 56.5 -72.5 -86.4 -30.9 -33.8 9.2 29.2 5 5 A S - 0 0 14 29,-0.1 2,-0.4 27,-0.0 -1,-0.3 -0.754 48.7 -74.7 152.1 164.1 -33.0 9.9 25.5 6 6 A V E -a 34 0A 3 27,-1.7 29,-2.2 -2,-0.2 2,-0.9 -0.732 44.0-133.8 -86.4 132.3 -31.7 12.4 23.1 7 7 A Q E -a 35 0A 58 -2,-0.4 48,-3.9 27,-0.2 49,-1.8 -0.772 22.1-163.8 -91.5 105.0 -34.1 15.3 22.4 8 8 A W E -ab 36 56A 1 27,-1.6 29,-3.7 -2,-0.9 2,-0.6 -0.675 11.0-138.0 -90.7 141.3 -34.4 16.0 18.7 9 9 A a E -a 37 0A 0 47,-2.5 49,-0.3 -2,-0.3 2,-0.2 -0.871 16.2-165.6-103.5 119.3 -35.9 19.2 17.4 10 10 A A E -a 38 0A 0 27,-2.7 29,-0.7 -2,-0.6 31,-0.2 -0.612 13.1-156.9 -95.6 159.6 -38.2 19.1 14.5 11 11 A V S S+ 0 0 37 -2,-0.2 2,-0.3 27,-0.1 -1,-0.1 0.361 75.1 27.3-117.2 1.2 -39.2 22.2 12.5 12 12 A S S > S- 0 0 16 1,-0.1 4,-2.3 172,-0.1 -1,-0.1 -0.964 78.8-111.8-154.2 164.8 -42.5 20.9 11.0 13 13 A N H > S+ 0 0 106 -2,-0.3 4,-3.0 2,-0.2 5,-0.2 0.918 117.9 53.8 -70.4 -43.6 -45.2 18.4 11.8 14 14 A P H > S+ 0 0 31 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.839 111.5 48.3 -60.9 -25.6 -44.3 16.1 9.0 15 15 A E H > S+ 0 0 22 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.916 110.7 49.8 -74.5 -44.2 -40.8 16.2 10.5 16 16 A A H X S+ 0 0 4 -4,-2.3 4,-3.0 1,-0.2 5,-0.2 0.848 108.8 53.4 -61.2 -36.1 -42.2 15.4 13.9 17 17 A T H X S+ 0 0 72 -4,-3.0 4,-1.8 1,-0.2 -1,-0.2 0.922 110.4 45.6 -65.7 -43.9 -44.2 12.6 12.5 18 18 A K H < S+ 0 0 7 -4,-1.5 4,-0.3 -5,-0.2 -2,-0.2 0.803 113.7 52.8 -68.1 -28.9 -41.0 11.1 11.0 19 19 A b H >X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 3,-1.7 0.964 106.7 49.2 -70.0 -54.1 -39.3 11.7 14.3 20 20 A F H 3X S+ 0 0 85 -4,-3.0 4,-1.8 1,-0.3 -2,-0.2 0.871 111.2 50.0 -54.2 -40.3 -41.9 9.9 16.4 21 21 A Q H 3X S+ 0 0 75 -4,-1.8 4,-1.1 1,-0.2 -1,-0.3 0.608 108.2 54.4 -76.4 -8.8 -41.8 6.9 14.2 22 22 A W H <> S+ 0 0 0 -3,-1.7 4,-1.0 -4,-0.3 -2,-0.2 0.823 105.3 54.7 -86.2 -36.2 -38.0 7.0 14.5 23 23 A Q H X S+ 0 0 47 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.899 112.5 40.3 -62.0 -44.7 -38.4 6.9 18.2 24 24 A R H X S+ 0 0 124 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.884 110.9 55.7 -74.9 -39.2 -40.5 3.8 18.2 25 25 A N H X S+ 0 0 21 -4,-1.1 4,-0.5 2,-0.2 -1,-0.2 0.746 107.8 56.5 -63.4 -20.6 -38.5 2.0 15.6 26 26 A M H ><>S+ 0 0 4 -4,-1.0 5,-2.0 2,-0.2 3,-1.8 0.987 109.6 37.0 -74.3 -64.3 -35.6 2.7 17.9 27 27 A R H ><5S+ 0 0 142 -4,-1.7 3,-0.9 1,-0.3 -2,-0.2 0.766 108.3 68.4 -60.7 -23.4 -36.8 1.0 21.1 28 28 A K H 3<5S+ 0 0 130 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.819 108.0 37.3 -63.2 -29.9 -38.3 -1.7 18.9 29 29 A V T <<5S- 0 0 55 -3,-1.8 -1,-0.3 -4,-0.5 -2,-0.2 0.300 117.9-119.2-101.1 5.2 -34.7 -2.6 18.1 30 30 A R T < 5 + 0 0 227 -3,-0.9 -3,-0.2 -4,-0.2 -2,-0.1 0.700 66.9 141.2 63.9 23.0 -33.8 -1.9 21.8 31 31 A G < - 0 0 16 -5,-2.0 -1,-0.2 1,-0.2 239,-0.1 -0.264 62.6 -49.6 -87.2 178.3 -31.3 0.8 20.6 32 32 A P - 0 0 23 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 -0.170 67.4-114.1 -50.0 131.4 -30.6 4.2 22.2 33 33 A P - 0 0 58 0, 0.0 -27,-1.7 0, 0.0 2,-0.3 -0.285 30.1-169.2 -69.0 152.6 -33.8 6.2 22.9 34 34 A V E -a 6 0A 1 -29,-0.3 -27,-0.2 -11,-0.2 2,-0.1 -0.960 2.5-164.2-147.3 124.5 -34.8 9.4 21.2 35 35 A S E -a 7 0A 23 -29,-2.2 -27,-1.6 -2,-0.3 2,-0.4 -0.379 17.8-125.2 -97.5-179.2 -37.6 11.9 22.0 36 36 A b E -a 8 0A 21 -29,-0.2 2,-0.3 -2,-0.1 -27,-0.2 -0.943 14.6-165.8-139.5 119.6 -39.0 14.6 19.8 37 37 A I E -a 9 0A 22 -29,-3.7 -27,-2.7 -2,-0.4 2,-0.4 -0.746 18.6-137.7 -98.9 147.9 -39.5 18.4 20.4 38 38 A K E +a 10 0A 78 -2,-0.3 2,-0.3 -29,-0.2 -27,-0.1 -0.893 31.4 152.2-111.8 133.6 -41.7 20.5 18.1 39 39 A R - 0 0 71 -29,-0.7 6,-0.0 -2,-0.4 -2,-0.0 -0.939 44.8-122.8-149.5 170.0 -40.9 23.9 16.8 40 40 A D S S+ 0 0 116 -2,-0.3 -29,-0.1 1,-0.1 3,-0.1 0.681 83.4 7.0 -92.7 -21.1 -41.7 26.2 13.9 41 41 A S S > S- 0 0 37 -31,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.960 73.9 -97.0-155.0 172.6 -38.3 27.0 12.5 42 42 A P H > S+ 0 0 17 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.952 120.4 50.3 -57.8 -51.2 -34.5 26.3 12.6 43 43 A I H > S+ 0 0 51 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.798 108.6 52.6 -61.2 -28.4 -33.8 29.3 14.8 44 44 A Q H > S+ 0 0 63 2,-0.2 4,-3.3 1,-0.2 -1,-0.3 0.930 111.9 46.5 -70.4 -42.9 -36.5 28.2 17.2 45 45 A a H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.893 111.8 51.6 -62.9 -39.8 -34.7 24.8 17.2 46 46 A I H X S+ 0 0 2 -4,-3.1 4,-1.7 2,-0.2 -1,-0.2 0.896 113.5 43.6 -64.5 -40.7 -31.4 26.5 17.7 47 47 A Q H X S+ 0 0 71 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.936 110.0 56.2 -69.4 -45.8 -32.8 28.5 20.7 48 48 A A H <>S+ 0 0 1 -4,-3.3 5,-3.3 1,-0.2 6,-0.8 0.873 110.0 46.1 -52.3 -42.4 -34.5 25.4 22.1 49 49 A I H ><5S+ 0 0 0 -4,-2.0 3,-1.5 4,-0.2 -1,-0.2 0.890 107.9 55.2 -70.6 -39.7 -31.2 23.6 22.2 50 50 A A H 3<5S+ 0 0 33 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.763 113.3 43.2 -66.5 -23.1 -29.3 26.5 23.7 51 51 A E T 3<5S- 0 0 95 -4,-1.6 -1,-0.3 -3,-0.1 -2,-0.2 -0.031 118.6-108.2-112.2 29.1 -31.7 26.6 26.6 52 52 A N T < 5S+ 0 0 96 -3,-1.5 -3,-0.2 2,-0.2 -4,-0.1 0.651 87.3 117.3 56.2 25.2 -31.9 22.8 27.1 53 53 A R S > - 0 0 10 -2,-0.3 4,-1.8 193,-0.2 3,-1.2 -0.320 48.1 -97.8 -73.7 158.7 -27.5 23.8 6.5 61 61 A G H 3> S+ 0 0 0 190,-0.3 4,-1.8 1,-0.3 3,-0.2 0.874 123.6 57.6 -47.6 -43.0 -24.2 25.6 6.4 62 62 A G H 3> S+ 0 0 1 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.827 111.4 40.1 -60.4 -34.7 -25.9 28.9 6.6 63 63 A F H <> S+ 0 0 12 -3,-1.2 4,-3.3 2,-0.2 -1,-0.2 0.669 105.0 64.9 -89.8 -15.1 -27.7 28.1 9.8 64 64 A I H X S+ 0 0 1 -4,-1.8 4,-1.0 -3,-0.2 -2,-0.2 0.887 105.0 49.6 -68.6 -36.5 -24.6 26.3 11.2 65 65 A Y H >X S+ 0 0 17 -4,-1.8 3,-0.8 -5,-0.2 4,-0.5 0.962 113.5 43.2 -62.7 -54.8 -23.1 29.8 11.1 66 66 A E H >< S+ 0 0 33 -4,-1.4 3,-2.0 1,-0.2 7,-0.3 0.946 111.1 55.9 -54.9 -52.0 -26.1 31.4 12.8 67 67 A A H 3< S+ 0 0 1 -4,-3.3 7,-2.9 1,-0.3 -1,-0.2 0.722 104.2 55.6 -55.3 -24.9 -26.2 28.6 15.3 68 68 A G H << S+ 0 0 18 -4,-1.0 -1,-0.3 -3,-0.8 -2,-0.2 0.556 87.7 94.4 -88.7 -8.7 -22.6 29.3 16.3 69 69 A L S XX S- 0 0 69 -3,-2.0 4,-2.7 -4,-0.5 3,-0.7 -0.371 83.8 -53.1 -78.6 161.3 -23.1 32.9 17.2 70 70 A A T 34 S+ 0 0 70 1,-0.3 -1,-0.1 2,-0.2 -2,-0.1 -0.396 115.9 23.2 -66.8 152.0 -23.7 34.1 20.7 71 71 A P T 34 S+ 0 0 107 0, 0.0 -1,-0.3 0, 0.0 -4,-0.1 -0.984 130.3 40.2 -91.0 -3.9 -25.7 33.4 22.9 72 72 A Y T <4 + 0 0 62 -3,-0.7 187,-0.4 -6,-0.2 -2,-0.2 0.974 68.6 177.0 -67.8 -57.3 -26.4 29.9 21.4 73 73 A K < + 0 0 131 -4,-2.7 -5,-0.3 -7,-0.3 186,-0.3 0.855 17.4 177.5 51.5 42.2 -22.8 29.0 20.4 74 74 A L - 0 0 6 -7,-2.9 242,-0.4 -5,-0.3 184,-0.2 -0.246 17.8-137.4 -69.9 162.5 -23.9 25.6 19.2 75 75 A R E -D 257 0B 28 182,-4.1 182,-2.7 240,-0.1 2,-0.5 -0.957 13.5-118.3-128.7 143.0 -21.3 23.2 17.7 76 76 A P E +D 256 0B 0 0, 0.0 180,-0.3 0, 0.0 3,-0.1 -0.684 38.0 168.8 -75.1 122.8 -21.5 20.9 14.6 77 77 A V E + 0 0 6 178,-2.9 233,-3.2 -2,-0.5 2,-0.3 0.722 61.2 22.1-109.4 -29.1 -21.0 17.4 16.0 78 78 A A E -DE 255 309B 0 177,-1.3 177,-2.3 231,-0.3 -1,-0.4 -0.998 68.2-147.4-140.0 140.3 -21.8 15.1 13.1 79 79 A A E -DE 254 308B 0 229,-2.6 229,-1.8 -2,-0.3 175,-0.2 -0.805 20.9-117.7-108.1 148.6 -21.8 15.8 9.4 80 80 A E E - E 0 307B 0 173,-2.7 2,-0.4 -2,-0.3 227,-0.2 -0.583 27.5-141.1 -79.9 148.7 -24.0 14.2 6.8 81 81 A V E + E 0 306B 16 225,-2.3 224,-2.5 -2,-0.2 225,-0.7 -0.931 23.3 178.3-112.9 134.5 -22.2 12.2 4.2 82 82 A Y E +F 89 0C 10 7,-3.2 7,-1.6 -2,-0.4 2,-0.3 -0.532 41.3 52.4-120.4-169.2 -23.3 12.3 0.5 83 83 A G E S-F 88 0C 32 5,-0.2 2,-0.3 -2,-0.2 -2,-0.0 -0.606 98.4 -45.1 80.4-140.6 -22.2 10.7 -2.7 84 84 A T - 0 0 73 3,-1.1 -2,-0.1 -2,-0.3 221,-0.1 -0.768 45.3-109.3-124.3 170.0 -21.8 6.9 -2.7 85 85 A E S S+ 0 0 134 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.758 120.5 59.2 -69.1 -22.7 -20.2 4.4 -0.3 86 86 A R S S+ 0 0 82 1,-0.3 -1,-0.2 0, 0.0 -3,-0.0 0.948 128.8 9.1 -68.5 -50.3 -17.6 3.9 -3.0 87 87 A Q S S- 0 0 144 2,-0.0 -3,-1.1 -5,-0.0 -1,-0.3 -0.696 84.6-177.5-134.9 80.9 -16.6 7.6 -2.8 88 88 A P E -F 83 0C 73 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.308 3.9-170.8 -74.1 161.1 -18.4 9.3 0.2 89 89 A R E -F 82 0C 37 -7,-1.6 -7,-3.2 -2,-0.0 -2,-0.0 -0.989 30.9-146.9-156.8 146.2 -18.0 13.0 0.9 90 90 A T S S+ 0 0 23 -2,-0.3 162,-2.4 -9,-0.2 2,-0.3 -0.159 84.6 58.2-105.0 36.0 -18.9 15.4 3.6 91 91 A H E -G 251 0D 14 160,-0.3 2,-0.3 -12,-0.1 -9,-0.2 -0.953 60.8-166.3-152.2 165.3 -19.4 18.3 1.2 92 92 A Y E -G 250 0D 0 158,-2.8 158,-2.8 -2,-0.3 2,-0.4 -0.832 25.7 -94.8-144.7-175.6 -21.6 19.0 -1.8 93 93 A Y E -G 249 0D 12 -2,-0.3 118,-1.3 156,-0.2 2,-0.7 -0.917 14.5-145.9-118.1 136.3 -21.8 21.5 -4.6 94 94 A A E +GH 248 210D 1 154,-2.3 153,-3.1 -2,-0.4 154,-0.8 -0.844 35.7 171.7 -94.3 112.5 -23.8 24.7 -5.0 95 95 A V E - 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0 0 27 -4,-1.3 4,-2.7 -5,-0.2 5,-0.4 0.060 23.2 -79.6 91.6 154.0 -13.9 26.8 6.2 322 322 A S H > S+ 0 0 34 1,-0.2 4,-2.1 2,-0.2 5,-0.3 0.940 126.3 44.8 -53.9 -55.9 -12.0 30.0 5.6 323 323 A G H > S+ 0 0 54 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.955 120.5 35.8 -57.2 -56.5 -13.6 30.8 2.3 324 324 A Y H > S+ 0 0 24 -4,-0.5 4,-2.4 2,-0.2 5,-0.2 0.919 115.1 55.0 -68.3 -43.4 -17.2 30.1 3.1 325 325 A F H X S+ 0 0 14 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.938 115.0 38.8 -56.1 -49.9 -17.1 31.4 6.7 326 326 A T H X S+ 0 0 34 -4,-2.1 4,-2.6 -5,-0.4 -1,-0.2 0.835 110.0 61.4 -72.9 -28.8 -15.8 34.8 5.7 327 327 A A H X S+ 0 0 45 -4,-1.9 4,-0.6 -5,-0.3 -1,-0.2 0.929 104.9 48.2 -61.6 -43.6 -18.0 34.9 2.6 328 328 A I H >< S+ 0 0 1 -4,-2.4 3,-1.8 1,-0.2 4,-0.4 0.962 112.2 48.9 -60.1 -50.2 -21.1 34.7 4.8 329 329 A Q H >< S+ 0 0 48 -4,-1.7 3,-1.6 1,-0.3 -1,-0.2 0.868 104.2 60.8 -56.2 -39.3 -19.7 37.5 7.0 330 330 A N H >< S+ 0 0 23 -4,-2.6 3,-1.1 1,-0.3 -1,-0.3 0.627 88.5 71.5 -66.1 -13.1 -18.9 39.6 3.9 331 331 A L T << S+ 0 0 12 -3,-1.8 -1,-0.3 -4,-0.6 -186,-0.2 0.697 98.2 50.7 -74.7 -17.4 -22.6 39.6 3.0 332 332 A R T < S+ 0 0 108 -3,-1.6 2,-0.3 -4,-0.4 -1,-0.3 0.000 103.6 75.9-107.3 26.9 -23.2 42.0 5.9 333 333 A K S < S- 0 0 56 -3,-1.1 -193,-0.1 -193,-0.0 2,-0.0 -0.968 79.2-110.9-138.8 153.6 -20.4 44.4 5.0 334 334 A S > - 0 0 24 -2,-0.3 4,-1.8 1,-0.1 5,-0.1 -0.312 34.8-113.7 -73.1 163.4 -19.8 47.2 2.5 335 335 A E H > S+ 0 0 93 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.804 115.8 59.6 -71.3 -26.4 -17.3 46.6 -0.3 336 336 A E H > S+ 0 0 136 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.929 107.1 46.4 -65.4 -43.3 -15.0 49.2 1.1 337 337 A E H > S+ 0 0 93 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.940 112.3 49.3 -63.3 -48.2 -14.7 47.3 4.4 338 338 A V H X S+ 0 0 18 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.899 112.4 47.7 -58.8 -43.0 -14.1 44.0 2.7 339 339 A A H X S+ 0 0 58 -4,-2.3 4,-1.0 1,-0.2 -1,-0.2 0.816 110.1 53.9 -68.9 -29.2 -11.4 45.5 0.5 340 340 A A H X S+ 0 0 40 -4,-1.7 4,-1.5 2,-0.2 -2,-0.2 0.866 109.1 47.1 -72.6 -36.7 -9.9 47.1 3.6 341 341 A R H < S+ 0 0 49 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.876 108.0 57.0 -70.8 -36.1 -9.7 43.7 5.4 342 342 A R H < S+ 0 0 137 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.792 110.5 45.1 -64.6 -28.2 -8.2 42.2 2.3 343 343 A A H < S+ 0 0 39 -4,-1.0 -1,-0.2 -5,-0.1 -2,-0.2 0.769 100.2 76.5 -89.2 -28.0 -5.4 44.7 2.4 344 344 A R S < S- 0 0 86 -4,-1.5 2,-0.6 -5,-0.1 25,-0.2 -0.531 72.2-136.2 -86.5 154.3 -4.5 44.6 6.1 345 345 A V E -m 369 0E 1 23,-2.9 25,-2.2 -2,-0.2 2,-0.9 -0.942 9.2-154.7-111.1 119.7 -2.5 41.8 7.8 346 346 A V E -m 370 0E 11 -2,-0.6 44,-3.7 23,-0.2 45,-1.6 -0.811 13.7-158.7 -95.8 102.4 -3.8 40.5 11.1 347 347 A W E -mn 371 391E 3 23,-2.3 25,-1.4 -2,-0.9 2,-0.5 -0.487 7.7-140.6 -76.7 148.5 -0.9 39.1 12.9 348 348 A g E -m 372 0E 2 43,-2.3 2,-0.3 23,-0.2 25,-0.3 -0.949 15.3-159.8-111.3 136.6 -1.6 36.6 15.6 349 349 A A E -m 373 0E 0 23,-2.3 25,-2.1 -2,-0.5 2,-0.7 -0.863 13.5-136.8-114.3 148.5 0.4 36.8 18.8 350 350 A V E S-m 374 0E 9 -2,-0.3 171,-0.5 23,-0.2 4,-0.4 -0.889 73.0 -7.5-107.4 104.3 0.9 34.0 21.4 351 351 A G S > S- 0 0 4 23,-2.1 4,-1.8 -2,-0.7 5,-0.1 -0.072 90.1 -74.6 97.1 161.8 0.6 35.4 24.9 352 352 A E H > S+ 0 0 93 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.881 124.9 54.9 -61.6 -43.4 0.4 39.0 26.3 353 353 A Q H > S+ 0 0 47 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.919 110.5 44.5 -60.5 -45.8 4.0 39.9 25.7 354 354 A E H > S+ 0 0 34 -4,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.887 113.3 53.7 -65.1 -35.6 3.9 39.1 22.0 355 355 A L H X S+ 0 0 45 -4,-1.8 4,-3.0 2,-0.2 -2,-0.2 0.909 105.2 53.2 -63.5 -41.9 0.6 40.9 21.9 356 356 A R H X S+ 0 0 161 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.922 112.4 43.5 -60.2 -44.9 2.2 44.0 23.5 357 357 A K H X S+ 0 0 16 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.869 112.3 54.4 -68.9 -35.5 5.0 44.1 20.9 358 358 A h H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 -2,-0.2 0.952 108.9 47.1 -62.9 -49.4 2.4 43.4 18.1 359 359 A N H X S+ 0 0 85 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.920 110.2 53.6 -58.4 -42.0 0.3 46.3 19.2 360 360 A Q H X S+ 0 0 120 -4,-2.0 4,-0.8 -5,-0.2 -1,-0.2 0.892 112.9 43.7 -58.6 -40.4 3.4 48.5 19.3 361 361 A W H < S+ 0 0 0 -4,-2.1 3,-0.5 2,-0.2 4,-0.4 0.865 109.4 58.0 -72.2 -36.9 4.2 47.4 15.7 362 362 A S H ><>S+ 0 0 26 -4,-3.0 3,-1.7 1,-0.2 5,-0.5 0.936 101.8 54.5 -58.9 -47.8 0.5 47.9 14.7 363 363 A G H 3<5S+ 0 0 65 -4,-2.6 3,-0.3 1,-0.3 -1,-0.2 0.786 113.4 41.8 -58.1 -29.5 0.6 51.5 15.8 364 364 A L T 3<5S+ 0 0 57 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.330 94.5 84.5-100.1 5.8 3.6 52.3 13.6 365 365 A S T X 5S- 0 0 2 -3,-1.7 3,-0.9 -4,-0.4 -1,-0.2 0.549 93.0-125.3 -85.8 -9.3 2.4 50.2 10.6 366 366 A E T 3 5S- 0 0 152 -3,-0.3 -3,-0.1 -4,-0.3 -2,-0.1 0.935 73.2 -50.6 63.7 48.0 0.2 52.9 9.0 367 367 A G T 3 S- 0 0 30 -27,-0.1 4,-1.2 1,-0.1 -25,-0.1 -0.929 81.2-118.7-133.9 160.7 -1.0 28.8 22.4 377 377 A T H > S+ 0 0 9 142,-0.4 4,-1.5 -2,-0.3 5,-0.1 0.885 112.7 53.6 -65.1 -38.7 0.5 28.5 18.9 378 378 A E H > S+ 0 0 43 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.894 102.4 55.5 -64.9 -41.3 -2.1 26.1 17.7 379 379 A D H > S+ 0 0 49 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.891 108.0 51.4 -59.3 -36.3 -5.1 28.3 18.8 380 380 A g H X S+ 0 0 0 -4,-1.2 4,-1.8 2,-0.2 -1,-0.3 0.861 105.0 54.4 -66.8 -37.1 -3.6 30.9 16.6 381 381 A I H X S+ 0 0 0 -4,-1.5 4,-2.2 1,-0.2 -2,-0.2 0.915 108.4 50.6 -62.6 -39.4 -3.3 28.5 13.7 382 382 A A H X S+ 0 0 2 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.919 106.7 54.1 -62.6 -44.1 -7.1 27.9 14.3 383 383 A L H <>S+ 0 0 26 -4,-2.3 5,-1.5 1,-0.2 6,-1.3 0.827 109.0 48.7 -60.5 -32.8 -7.7 31.7 14.2 384 384 A V H ><5S+ 0 0 2 -4,-1.8 3,-1.9 4,-0.2 -1,-0.2 0.919 107.0 54.5 -73.4 -42.7 -5.9 32.0 10.8 385 385 A L H 3<5S+ 0 0 18 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.808 110.0 49.2 -58.4 -29.4 -7.9 29.1 9.4 386 386 A K T 3<5S- 0 0 27 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.438 114.6-117.9 -89.3 -1.7 -11.1 31.0 10.4 387 387 A G T < 5S+ 0 0 9 -3,-1.9 -3,-0.2 2,-0.3 -2,-0.1 0.430 86.6 114.5 80.3 -2.6 -9.8 34.2 8.8 388 388 A E S > - 0 0 4 -2,-0.3 4,-1.7 202,-0.2 3,-1.7 -0.470 45.1-104.5 -73.3 153.0 9.1 27.2 14.2 396 396 A G H 3> S+ 0 0 0 199,-0.5 4,-1.4 1,-0.3 -1,-0.1 0.834 121.4 61.1 -48.5 -37.9 9.6 24.4 11.6 397 397 A G H 3> S+ 0 0 2 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.836 107.9 43.5 -60.6 -32.7 7.8 22.0 13.9 398 398 A Y H <> S+ 0 0 16 -3,-1.7 4,-3.1 2,-0.2 5,-0.3 0.777 101.6 66.4 -83.0 -28.6 4.7 24.2 13.7 399 399 A V H X S+ 0 0 2 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.878 99.3 56.4 -58.7 -33.6 5.0 24.7 10.0 400 400 A Y H X S+ 0 0 8 -4,-1.4 4,-2.5 2,-0.2 5,-0.2 0.970 109.7 41.7 -61.0 -54.1 4.3 21.0 9.8 401 401 A T H X S+ 0 0 0 -4,-1.0 4,-0.8 1,-0.2 -2,-0.2 0.884 114.8 51.5 -61.7 -38.4 1.0 21.4 11.7 402 402 A A H <>S+ 0 0 0 -4,-3.1 5,-2.6 1,-0.2 -1,-0.2 0.856 109.9 51.9 -66.7 -33.5 0.1 24.5 9.7 403 403 A G H ><5S+ 0 0 7 -4,-2.3 3,-2.9 -5,-0.3 -2,-0.2 0.950 104.6 51.8 -67.7 -51.3 0.8 22.7 6.5 404 404 A K H 3<5S+ 0 0 55 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.731 109.6 56.0 -58.2 -18.3 -1.4 19.7 7.3 405 405 A i T 3<5S- 0 0 4 -4,-0.8 -1,-0.3 -5,-0.2 -2,-0.2 0.328 124.7-102.4 -96.3 5.5 -4.0 22.4 7.9 406 406 A G T < 5S+ 0 0 13 -3,-2.9 197,-0.3 1,-0.3 -3,-0.2 0.381 78.9 129.6 93.3 -5.8 -3.6 24.0 4.5 407 407 A L < - 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