==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 07-NOV-07 3B9W . COMPND 2 MOLECULE: AMMONIUM TRANSPORTER FAMILY; . SOURCE 2 ORGANISM_SCIENTIFIC: NITROSOMONAS EUROPAEA; . AUTHOR D.LUPO,F.K.WINKLER . 362 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14422.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 286 79.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 6 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 212 58.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 4.4 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 2 0 1 1 1 0 0 0 0 1 0 1 0 0 0 0 1 1 1 1 1 1 1 1 0 0 0 RESIDUES PER ALPHA HELIX . 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 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 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 8 A I 0 0 172 0, 0.0 2,-1.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 156.3 7.3 -6.8 120.7 2 9 A N > - 0 0 85 1,-0.2 4,-1.8 2,-0.1 5,-0.1 -0.694 360.0-170.3 -82.2 102.4 6.1 -3.4 119.4 3 10 A E H > S+ 0 0 146 -2,-1.0 4,-2.4 1,-0.2 5,-0.2 0.874 81.3 53.8 -67.1 -39.6 3.1 -4.3 117.2 4 11 A A H > S+ 0 0 68 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.917 110.8 47.3 -59.6 -43.7 2.6 -0.8 115.6 5 12 A R H > S+ 0 0 95 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.832 110.6 52.1 -69.0 -32.4 6.3 -0.8 114.5 6 13 A L H X S+ 0 0 75 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.905 109.4 49.1 -67.4 -43.0 6.0 -4.3 113.1 7 14 A V H X S+ 0 0 88 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.911 110.8 51.6 -60.7 -42.4 3.0 -3.3 111.1 8 15 A A H X S+ 0 0 19 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.944 111.0 48.1 -56.0 -49.2 4.9 -0.3 109.9 9 16 A Q H X S+ 0 0 36 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.898 109.7 50.7 -60.7 -47.6 7.8 -2.6 108.9 10 17 A Y H X S+ 0 0 123 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.934 110.9 49.7 -57.7 -46.3 5.6 -5.0 107.0 11 18 A N H X S+ 0 0 78 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.887 108.0 52.7 -64.6 -37.5 4.0 -2.2 105.1 12 19 A Y H X S+ 0 0 30 -4,-2.3 4,-2.9 1,-0.2 -1,-0.2 0.918 107.4 54.2 -57.4 -42.7 7.4 -0.8 104.1 13 20 A S H X S+ 0 0 4 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.863 109.9 45.0 -64.3 -36.7 8.3 -4.2 102.8 14 21 A I H X S+ 0 0 69 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.893 112.7 51.5 -73.4 -39.5 5.3 -4.4 100.5 15 22 A N H X S+ 0 0 38 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.930 112.6 46.3 -56.8 -48.3 5.8 -0.8 99.3 16 23 A I H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.898 108.1 55.9 -63.4 -41.1 9.5 -1.7 98.5 17 24 A L H X S+ 0 0 51 -4,-2.1 4,-2.5 1,-0.2 5,-0.3 0.890 104.7 53.4 -60.7 -38.3 8.4 -5.0 96.8 18 25 A A H X>S+ 0 0 26 -4,-2.0 5,-2.4 1,-0.2 4,-0.9 0.894 108.0 51.1 -60.0 -41.7 6.1 -2.9 94.5 19 26 A M H <>S+ 0 0 2 -4,-1.6 5,-2.9 3,-0.2 6,-0.3 0.904 111.3 48.4 -59.9 -43.0 9.2 -0.7 93.7 20 27 A L H <>S+ 0 0 0 -4,-2.3 5,-0.5 3,-0.2 -2,-0.2 0.947 124.9 25.4 -64.6 -49.6 11.2 -3.9 92.8 21 28 A L H X5S+ 0 0 47 -4,-2.5 4,-1.1 3,-0.2 5,-0.3 0.987 136.8 20.3 -82.2 -69.6 8.6 -5.5 90.6 22 29 A V H X5S+ 0 0 59 -4,-0.9 4,-2.2 -5,-0.3 5,-0.4 0.909 126.7 49.3 -71.4 -43.2 6.4 -2.8 89.1 23 30 A G H >< S+ 0 0 61 -4,-2.2 3,-0.8 -5,-0.3 4,-0.2 0.804 109.9 61.5 -80.0 -27.4 8.1 -1.1 84.1 27 34 A L H >< S+ 0 0 6 -4,-2.1 3,-1.1 -5,-0.4 -1,-0.2 0.930 107.1 49.3 -54.5 -42.2 10.7 1.7 84.1 28 35 A M G >< S+ 0 0 4 -4,-2.0 3,-1.1 1,-0.3 -1,-0.2 0.583 89.0 82.1 -76.9 -10.1 12.7 -0.8 82.1 29 36 A V G < + 0 0 11 -3,-0.8 -1,-0.3 -4,-0.3 5,-0.2 0.561 65.1 92.7 -70.2 -6.2 9.8 -1.5 79.7 30 37 A F G < + 0 0 13 -3,-1.1 2,-0.4 -4,-0.2 136,-0.4 0.812 56.9 99.0 -59.4 -29.4 10.8 1.7 77.8 31 38 A V S X S- 0 0 2 -3,-1.1 3,-1.9 1,-0.1 4,-0.3 -0.504 83.1-130.8 -65.6 118.7 12.9 -0.4 75.4 32 39 A R T 3 S+ 0 0 66 132,-2.8 3,-0.3 -2,-0.4 -1,-0.1 0.751 92.7 17.5 -49.1 -52.1 10.5 -0.7 72.5 33 40 A R T 3 S+ 0 0 47 314,-0.4 316,-2.7 1,-0.2 -1,-0.3 -0.127 111.9 76.5-114.4 35.3 10.5 -4.4 71.7 34 41 A Y <> + 0 0 3 -3,-1.9 4,-2.7 -5,-0.2 5,-0.2 0.194 52.0 112.4-130.2 14.5 12.0 -5.7 75.0 35 42 A G H > S+ 0 0 16 -3,-0.3 4,-2.1 -4,-0.3 5,-0.2 0.822 78.8 51.2 -61.4 -36.1 9.0 -5.5 77.4 36 43 A F H > S+ 0 0 100 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.922 115.0 42.7 -67.4 -44.9 8.6 -9.3 77.8 37 44 A S H > S+ 0 0 0 2,-0.2 4,-2.8 3,-0.2 5,-0.2 0.860 112.8 53.3 -69.4 -37.8 12.4 -9.7 78.6 38 45 A A H X S+ 0 0 0 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.937 115.8 38.4 -62.7 -47.8 12.4 -6.6 80.9 39 46 A T H X S+ 0 0 41 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.916 119.4 46.7 -72.3 -42.8 9.5 -7.9 83.0 40 47 A T H X S+ 0 0 45 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.922 112.8 50.3 -63.6 -44.7 10.6 -11.5 83.0 41 48 A G H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.893 108.6 52.7 -58.4 -42.1 14.2 -10.5 83.8 42 49 A T H X S+ 0 0 3 -4,-1.9 4,-2.4 1,-0.2 5,-0.2 0.933 108.1 50.6 -59.7 -47.7 12.9 -8.4 86.7 43 50 A Y H X S+ 0 0 155 -4,-2.3 4,-3.0 1,-0.2 -2,-0.2 0.906 110.5 50.4 -53.7 -44.5 11.0 -11.5 88.0 44 51 A L H X S+ 0 0 53 -4,-2.2 4,-1.8 2,-0.2 5,-0.3 0.880 109.6 49.0 -65.9 -39.0 14.1 -13.6 87.8 45 52 A V H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.929 116.4 42.8 -66.1 -44.8 16.3 -11.0 89.7 46 53 A V H X S+ 0 0 10 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.939 116.1 47.6 -63.9 -48.2 13.7 -10.8 92.5 47 54 A A H < S+ 0 0 67 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.746 120.0 38.4 -70.1 -26.1 13.0 -14.6 92.6 48 55 A T H X S+ 0 0 40 -4,-1.8 4,-1.6 -5,-0.2 -2,-0.2 0.883 118.4 47.0 -84.6 -47.6 16.7 -15.4 92.7 49 56 A G H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.3 5,-0.3 0.852 105.4 55.8 -69.1 -41.8 17.9 -12.6 94.9 50 57 A L H X S+ 0 0 36 -4,-2.3 4,-2.3 -5,-0.2 5,-0.2 0.967 113.7 38.1 -59.2 -56.5 15.4 -12.7 97.7 51 58 A P H > S+ 0 0 73 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.873 116.3 54.0 -64.8 -34.6 15.9 -16.4 98.7 52 59 A L H X S+ 0 0 32 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.943 112.0 42.3 -63.8 -48.6 19.7 -16.2 98.1 53 60 A Y H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.3 0.912 114.7 51.3 -64.6 -42.3 20.1 -13.2 100.4 54 61 A I H X S+ 0 0 42 -4,-2.3 4,-2.2 -5,-0.3 -2,-0.2 0.914 110.6 49.8 -60.7 -42.5 17.8 -14.7 103.0 55 62 A L H X S+ 0 0 104 -4,-2.5 4,-1.3 -5,-0.2 -2,-0.2 0.916 111.4 48.4 -60.6 -46.0 19.8 -18.0 102.9 56 63 A L H <>S+ 0 0 28 -4,-2.3 5,-2.2 1,-0.2 3,-0.3 0.931 114.6 43.8 -62.6 -47.7 23.1 -16.1 103.4 57 64 A R H ><5S+ 0 0 5 -4,-2.6 9,-1.4 1,-0.2 3,-1.3 0.825 107.3 60.3 -68.5 -32.1 21.9 -14.0 106.3 58 65 A A H 3<5S+ 0 0 38 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.855 107.7 46.7 -60.7 -33.8 20.2 -17.1 107.9 59 66 A N T 3<5S- 0 0 113 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.320 117.2-115.5 -90.9 5.4 23.7 -18.7 108.0 60 67 A G T X 5 + 0 0 35 -3,-1.3 3,-0.6 1,-0.2 2,-0.4 0.805 55.7 163.6 65.6 32.7 25.3 -15.6 109.5 61 68 A I T 3 < - 0 0 64 -5,-2.2 -1,-0.2 1,-0.2 -2,-0.1 -0.724 66.8 -8.6 -87.2 128.4 27.5 -14.9 106.4 62 69 A F T 3 S+ 0 0 73 -2,-0.4 -1,-0.2 53,-0.0 2,-0.2 0.916 134.3 16.5 50.8 55.0 29.0 -11.4 106.2 63 70 A G S < S- 0 0 15 -3,-0.6 3,-0.1 53,-0.1 2,-0.0 -0.702 106.2 -44.8 141.1 168.5 26.9 -10.0 109.1 64 71 A H S S- 0 0 121 -2,-0.2 -4,-0.1 1,-0.1 -3,-0.1 -0.376 72.7 -95.6 -63.5 144.1 24.8 -10.9 112.1 65 72 A A - 0 0 61 -5,-0.2 2,-0.5 -6,-0.1 -7,-0.2 -0.325 32.7-155.9 -65.6 141.0 22.3 -13.7 111.3 66 73 A L - 0 0 14 -9,-1.4 -6,-0.2 -12,-0.2 4,-0.1 -0.989 21.0-123.6-115.9 126.2 18.8 -12.8 110.4 67 74 A T - 0 0 96 -2,-0.5 6,-0.4 1,-0.1 3,-0.2 -0.488 18.2-130.9 -68.1 132.3 16.1 -15.4 111.0 68 75 A P S S+ 0 0 60 0, 0.0 2,-2.2 0, 0.0 -1,-0.1 0.888 99.5 65.8 -52.8 -45.2 14.2 -16.2 107.7 69 76 A H S S+ 0 0 188 4,-0.1 2,-0.3 3,-0.0 -2,-0.1 -0.403 86.7 94.0 -80.4 64.7 10.8 -15.9 109.3 70 77 A S S > S- 0 0 33 -2,-2.2 4,-1.1 -3,-0.2 3,-0.2 -0.987 77.0-129.5-150.7 147.9 11.1 -12.1 110.1 71 78 A V H > S+ 0 0 29 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.855 110.4 63.3 -65.2 -33.3 10.1 -8.9 108.3 72 79 A D H > S+ 0 0 63 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.906 98.5 54.1 -53.3 -45.8 13.7 -7.8 108.8 73 80 A A H > S+ 0 0 2 -6,-0.4 4,-1.5 -3,-0.2 -1,-0.2 0.880 110.0 47.7 -58.1 -39.9 15.0 -10.6 106.7 74 81 A V H X S+ 0 0 50 -4,-1.1 4,-2.4 2,-0.2 -2,-0.2 0.942 110.6 49.9 -66.8 -49.5 12.7 -9.5 103.8 75 82 A I H X S+ 0 0 0 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.922 112.5 45.6 -60.5 -47.6 13.7 -5.8 104.0 76 83 A Y H X S+ 0 0 55 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.869 113.1 51.4 -65.9 -34.1 17.4 -6.4 103.9 77 84 A A H X S+ 0 0 0 -4,-1.5 4,-2.2 -5,-0.3 -1,-0.2 0.878 105.0 57.4 -65.3 -39.0 17.0 -8.9 101.1 78 85 A E H X S+ 0 0 2 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.866 102.5 53.4 -60.9 -39.2 14.9 -6.3 99.2 79 86 A F H X S+ 0 0 8 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.891 108.5 50.2 -63.5 -39.2 17.8 -3.8 99.3 80 87 A A H X S+ 0 0 0 -4,-1.3 4,-1.6 2,-0.2 -2,-0.2 0.914 110.6 49.3 -61.7 -44.7 20.1 -6.5 97.8 81 88 A V H X S+ 0 0 1 -4,-2.2 4,-2.3 1,-0.2 5,-0.2 0.895 104.9 59.2 -63.1 -40.3 17.6 -7.2 95.0 82 89 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.910 104.0 50.4 -54.5 -44.9 17.4 -3.4 94.4 83 90 A T H X S+ 0 0 0 -4,-1.7 4,-2.6 1,-0.2 -1,-0.2 0.893 109.1 52.6 -61.9 -38.3 21.1 -3.3 93.6 84 91 A G H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.887 110.1 47.2 -60.6 -41.9 20.6 -6.3 91.2 85 92 A L H X S+ 0 0 1 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.837 110.9 51.8 -71.8 -33.9 17.8 -4.4 89.4 86 93 A I H X S+ 0 0 0 -4,-2.3 4,-0.9 -5,-0.2 3,-0.3 0.952 111.9 46.2 -63.4 -49.0 20.0 -1.2 89.2 87 94 A A H >X S+ 0 0 0 -4,-2.6 4,-1.1 1,-0.2 3,-0.9 0.895 108.3 57.3 -59.6 -41.1 22.8 -3.3 87.7 88 95 A M H 3X S+ 0 0 0 -4,-2.3 4,-1.4 1,-0.2 3,-0.4 0.870 97.9 62.1 -56.6 -39.2 20.3 -4.9 85.3 89 96 A G H 3< S+ 0 0 1 -4,-1.6 198,-2.4 -3,-0.3 -1,-0.2 0.801 101.3 52.1 -58.0 -32.3 19.4 -1.4 84.0 90 97 A A H << S+ 0 0 0 -3,-0.9 196,-2.1 -4,-0.9 -1,-0.2 0.861 121.6 29.9 -69.6 -36.9 22.9 -0.9 82.8 91 98 A V H >< S+ 0 0 0 -4,-1.1 3,-2.6 -3,-0.4 4,-0.4 0.356 82.2 144.0-108.9 2.4 23.0 -4.2 80.8 92 99 A L T 3< S+ 0 0 0 -4,-1.4 194,-0.1 1,-0.3 -54,-0.1 -0.173 74.3 15.6 -49.0 127.0 19.3 -4.6 79.9 93 100 A G T 3 S+ 0 0 1 2,-0.2 254,-1.6 -59,-0.1 255,-0.3 0.239 111.7 77.7 93.3 -12.6 18.9 -6.1 76.4 94 101 A R S < S+ 0 0 3 -3,-2.6 2,-0.4 252,-0.2 249,-0.4 0.314 83.5 72.9-112.6 5.5 22.5 -7.3 76.2 95 102 A L S S- 0 0 0 -4,-0.4 -2,-0.2 247,-0.1 2,-0.2 -0.903 87.1-114.2-110.2 147.0 21.9 -10.4 78.4 96 103 A R >> - 0 0 96 -2,-0.4 3,-1.4 245,-0.2 4,-0.5 -0.510 40.5-108.6 -65.7 147.7 20.1 -13.5 77.5 97 104 A V H >> S+ 0 0 12 1,-0.3 3,-1.7 2,-0.2 4,-0.6 0.891 119.4 54.5 -54.1 -42.7 17.0 -13.7 79.7 98 105 A F H >> S+ 0 0 92 1,-0.3 4,-1.1 2,-0.2 3,-0.8 0.789 97.3 68.0 -61.5 -25.1 18.3 -16.5 81.8 99 106 A Q H <> S+ 0 0 2 -3,-1.4 4,-2.5 1,-0.2 -1,-0.3 0.680 84.0 69.5 -71.3 -18.3 21.4 -14.4 82.5 100 107 A Y H S+ 0 0 45 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.852 115.5 48.8 -63.1 -33.5 27.1 -11.9 97.6 110 117 A V H X S+ 0 0 30 -4,-0.9 4,-2.5 2,-0.2 -2,-0.2 0.919 111.5 48.9 -70.8 -43.9 29.2 -8.9 96.5 111 118 A Y H X S+ 0 0 4 -4,-3.1 4,-2.8 2,-0.2 -1,-0.2 0.922 112.5 49.2 -56.1 -46.6 26.5 -6.4 97.8 112 119 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.906 109.3 51.5 -61.1 -45.1 26.5 -8.4 101.1 113 120 A L H X S+ 0 0 46 -4,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.922 113.1 45.4 -57.2 -46.3 30.3 -8.3 101.4 114 121 A N H X>S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 5,-0.6 0.905 109.9 53.8 -64.9 -44.2 30.2 -4.5 100.8 115 122 A E H X>S+ 0 0 10 -4,-2.8 5,-1.7 1,-0.2 4,-0.6 0.909 114.2 43.6 -53.1 -45.6 27.3 -4.0 103.3 116 123 A W H <5S+ 0 0 91 -4,-2.4 6,-2.3 3,-0.2 7,-0.3 0.937 117.2 43.4 -67.6 -50.9 29.4 -5.9 105.9 117 124 A L H <5S+ 0 0 39 -4,-2.8 6,-2.0 5,-0.2 7,-0.3 0.892 130.0 22.1 -64.1 -42.7 32.7 -4.2 105.2 118 125 A V H ><5S+ 0 0 1 -4,-3.0 3,-0.5 -5,-0.2 11,-0.2 0.940 130.3 33.8 -94.8 -61.4 31.4 -0.6 104.9 119 126 A L T 3< + 0 0 3 -9,-0.3 3,-2.0 191,-0.1 2,-0.2 0.050 58.8 148.4-125.3 23.5 34.4 3.0 108.0 127 134 A E T 3 S+ 0 0 159 1,-0.3 187,-0.2 -6,-0.1 188,-0.1 -0.431 74.9 23.0 -63.1 129.2 33.3 3.8 111.5 128 135 A G T 3 S+ 0 0 49 1,-0.3 -1,-0.3 -2,-0.2 187,-0.1 0.423 83.5 166.1 91.8 0.9 30.8 6.7 111.4 129 136 A F < - 0 0 29 -3,-2.0 2,-0.6 -11,-0.2 -1,-0.3 -0.227 27.1-145.5 -50.3 131.3 29.9 6.1 107.8 130 137 A Q + 0 0 34 171,-0.1 174,-0.2 181,-0.1 -1,-0.1 -0.907 49.2 124.2-111.2 107.9 26.7 8.1 106.9 131 138 A D > + 0 0 16 -2,-0.6 3,-0.9 113,-0.1 114,-0.2 -0.322 22.1 170.9-160.7 65.2 24.4 6.4 104.4 132 139 A S T 3 S+ 0 0 23 113,-1.8 113,-0.2 1,-0.3 59,-0.2 0.824 85.1 18.8 -54.7 -43.0 20.9 6.0 106.0 133 140 A A T 3 S- 0 0 9 111,-1.9 -1,-0.3 108,-0.1 112,-0.2 0.130 115.2 -98.9-120.2 17.9 19.1 4.9 102.8 134 141 A G <>> + 0 0 4 -3,-0.9 5,-2.4 110,-0.3 4,-1.9 0.817 58.1 157.6 77.8 36.8 22.0 3.7 100.7 135 142 A S T 4>S+ 0 0 0 3,-0.2 5,-2.2 4,-0.2 165,-0.1 0.896 95.6 21.2 -49.4 -40.7 23.0 6.4 98.2 136 143 A I T 4>S+ 0 0 1 3,-0.2 5,-2.2 4,-0.2 6,-0.1 0.897 126.7 48.3 -93.3 -53.2 26.3 4.7 98.2 137 144 A A T 45S+ 0 0 2 3,-0.2 -2,-0.1 1,-0.1 -22,-0.1 0.746 131.1 15.4 -66.5 -27.2 25.6 1.1 99.4 138 145 A I T X5S+ 0 0 6 -4,-1.9 4,-2.4 3,-0.1 -3,-0.2 0.792 132.5 33.8-108.3 -58.6 22.7 0.5 97.1 139 146 A H H > - 0 0 37 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.639 27.9-111.4-106.1 164.1 30.0 -6.9 72.0 156 163 A A H > S+ 0 0 65 1,-0.2 4,-1.5 -2,-0.2 -1,-0.1 0.904 118.4 55.4 -57.5 -44.8 30.4 -4.8 68.9 157 164 A A H 4 S+ 0 0 72 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.892 109.2 47.2 -56.9 -41.7 27.3 -6.3 67.3 158 165 A Q H >4 S+ 0 0 3 1,-0.2 3,-1.4 2,-0.2 -1,-0.2 0.894 107.3 55.4 -67.4 -40.9 25.3 -5.2 70.4 159 166 A R H 3< S+ 0 0 87 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.780 100.6 61.4 -63.6 -26.9 26.7 -1.7 70.4 160 167 A A T 3< S+ 0 0 77 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.656 86.2 92.1 -72.6 -18.3 25.5 -1.3 66.7 161 168 A Q S < S- 0 0 65 -3,-1.4 2,-0.1 -4,-0.4 186,-0.1 -0.663 77.6-128.7 -82.9 129.0 21.9 -1.8 67.8 162 169 A P - 0 0 75 0, 0.0 2,-0.8 0, 0.0 -2,-0.1 -0.465 14.0-125.2 -73.7 146.6 19.9 1.3 68.6 163 170 A I - 0 0 54 -2,-0.1 2,-0.2 -132,-0.0 184,-0.0 -0.865 41.5-171.4 -91.5 111.7 18.0 1.6 71.9 164 171 A E + 0 0 82 -2,-0.8 -132,-2.8 183,-0.1 2,-0.3 -0.681 17.1 175.0-108.9 156.1 14.5 2.4 70.8 165 172 A S - 0 0 47 -2,-0.2 2,-0.3 -134,-0.2 -134,-0.1 -0.951 6.3-167.3-147.0 165.7 11.3 3.5 72.5 166 173 A D > - 0 0 67 -136,-0.4 4,-2.8 -2,-0.3 5,-0.3 -0.873 45.2 -80.2-145.0-178.2 7.8 4.5 71.4 167 174 A A H > S+ 0 0 68 -2,-0.3 4,-1.6 1,-0.2 5,-0.1 0.878 126.9 43.8 -54.8 -42.5 4.6 6.1 72.8 168 175 A T H > S+ 0 0 73 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.948 115.0 46.1 -69.6 -48.5 3.4 2.8 74.4 169 176 A S H > S+ 0 0 6 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.886 114.5 49.0 -64.2 -36.8 6.7 1.7 75.8 170 177 A D H X S+ 0 0 20 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.815 107.3 54.1 -73.7 -31.4 7.4 5.2 77.3 171 178 A R H X S+ 0 0 164 -4,-1.6 4,-1.6 -5,-0.3 -2,-0.2 0.920 109.8 48.5 -65.1 -43.1 3.9 5.4 78.9 172 179 A F H X S+ 0 0 90 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.901 109.3 53.9 -59.1 -41.1 4.7 2.1 80.6 173 180 A S H X S+ 0 0 3 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.890 105.3 52.5 -61.9 -40.7 8.1 3.6 81.6 174 181 A M H X S+ 0 0 43 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.838 106.3 54.7 -64.6 -33.4 6.3 6.5 83.2 175 182 A L H X S+ 0 0 87 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.949 110.0 45.5 -61.2 -49.9 4.1 4.1 85.2 176 183 A G H X S+ 0 0 0 -4,-2.1 4,-2.3 -150,-0.2 -2,-0.2 0.921 112.0 53.5 -58.6 -44.4 7.2 2.4 86.6 177 184 A S H X S+ 0 0 5 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.926 109.4 46.7 -54.8 -50.9 8.7 5.8 87.3 178 185 A M H X S+ 0 0 121 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.845 109.7 53.6 -66.0 -34.2 5.7 7.0 89.3 179 186 A V H X S+ 0 0 19 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.916 111.2 46.4 -65.9 -43.0 5.6 3.7 91.3 180 187 A L H X S+ 0 0 2 -4,-2.3 4,-1.1 2,-0.2 -2,-0.2 0.930 114.7 48.6 -59.4 -46.7 9.2 4.2 92.2 181 188 A W H < S+ 0 0 63 -4,-2.6 3,-0.4 1,-0.2 -2,-0.2 0.934 112.2 46.2 -58.7 -51.6 8.6 7.8 93.1 182 189 A L H < S+ 0 0 93 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.811 118.3 39.4 -71.7 -32.4 5.5 7.2 95.3 183 190 A F H >X S+ 0 0 50 -4,-1.7 3,-1.4 -5,-0.2 4,-1.4 0.568 89.1 96.6 -91.8 -9.6 6.9 4.3 97.4 184 191 A W H 3X S+ 0 0 4 -4,-1.1 4,-2.6 -3,-0.4 5,-0.2 0.820 73.2 63.0 -52.0 -40.5 10.4 5.8 97.7 185 192 A P H 3> S+ 0 0 12 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.875 105.2 48.1 -55.6 -33.7 9.7 7.4 101.1 186 193 A S H <> S+ 0 0 17 -3,-1.4 4,-1.5 2,-0.2 -2,-0.2 0.876 109.0 52.8 -70.7 -39.4 9.2 3.8 102.5 187 194 A F H < S+ 0 0 5 -4,-1.4 4,-0.3 1,-0.2 -1,-0.2 0.906 114.4 44.0 -57.1 -42.6 12.4 2.6 100.8 188 195 A A H < S+ 0 0 2 -4,-2.6 3,-0.3 1,-0.2 -2,-0.2 0.843 119.3 39.2 -74.0 -36.7 14.2 5.5 102.5 189 196 A T H >< S+ 0 0 1 -4,-2.0 3,-1.4 -5,-0.2 -1,-0.2 0.589 85.6 99.2 -92.5 -10.9 12.6 5.2 106.0 190 197 A A T 3< S+ 0 0 9 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.783 96.6 24.8 -52.5 -40.3 12.6 1.3 106.3 191 198 A I T 3 S+ 0 0 71 -4,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.262 100.4 101.2-112.9 11.2 15.7 0.9 108.4 192 199 A V S < S- 0 0 14 -3,-1.4 5,-0.1 1,-0.1 -3,-0.0 -0.684 90.2 -85.8 -85.8 145.1 15.7 4.4 110.0 193 200 A P > - 0 0 63 0, 0.0 3,-1.7 0, 0.0 4,-0.2 -0.206 35.0-119.5 -51.9 144.7 14.4 4.5 113.6 194 201 A F G > S+ 0 0 82 1,-0.3 3,-1.8 2,-0.2 -2,-0.0 0.835 111.9 64.2 -55.2 -36.9 10.6 4.9 113.9 195 202 A E G 3 S+ 0 0 129 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.728 104.6 47.3 -59.6 -24.0 11.0 8.2 115.8 196 203 A Q G <> S+ 0 0 61 -3,-1.7 4,-2.5 1,-0.1 -1,-0.3 0.332 82.2 101.5-100.5 4.7 12.6 9.7 112.6 197 204 A M H <> S+ 0 0 48 -3,-1.8 4,-3.0 -4,-0.2 5,-0.3 0.929 79.6 48.8 -59.0 -51.7 10.0 8.4 110.2 198 205 A P H > S+ 0 0 73 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.931 115.2 44.9 -56.5 -46.0 8.1 11.7 109.7 199 206 A Q H > S+ 0 0 82 -4,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.918 116.0 48.0 -58.5 -45.6 11.3 13.7 109.1 200 207 A T H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.920 113.2 44.6 -65.7 -47.0 12.6 11.0 106.7 201 208 A I H X S+ 0 0 46 -4,-3.0 4,-2.3 2,-0.2 -1,-0.2 0.887 115.1 48.3 -70.7 -36.2 9.5 10.6 104.6 202 209 A V H X S+ 0 0 64 -4,-2.1 4,-2.8 -5,-0.3 5,-0.2 0.932 112.2 49.3 -66.6 -45.7 8.9 14.3 104.3 203 210 A N H X S+ 0 0 5 -4,-2.4 4,-2.3 44,-0.3 -2,-0.2 0.886 111.0 50.2 -59.3 -40.8 12.6 14.9 103.3 204 211 A T H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.934 112.0 47.5 -63.7 -46.2 12.4 12.1 100.7 205 212 A L H X S+ 0 0 64 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.920 112.8 48.4 -60.3 -46.1 9.2 13.6 99.2 206 213 A L H X S+ 0 0 53 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.879 110.8 50.8 -65.1 -38.1 10.7 17.1 99.1 207 214 A A H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.913 110.6 49.4 -63.5 -43.5 13.9 15.9 97.5 208 215 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 31,-0.2 -2,-0.2 0.908 110.3 51.1 -61.5 -41.4 11.8 14.1 94.9 209 216 A C H X S+ 0 0 49 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.939 111.1 48.0 -61.1 -47.0 9.8 17.3 94.3 210 217 A G H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.933 113.3 46.8 -57.4 -49.0 13.0 19.2 93.8 211 218 A A H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.857 110.7 53.4 -62.5 -36.9 14.5 16.7 91.4 212 219 A T H X S+ 0 0 32 -4,-2.3 4,-2.2 24,-0.3 -1,-0.2 0.919 112.3 43.1 -66.2 -45.2 11.2 16.5 89.4 213 220 A L H X S+ 0 0 90 -4,-2.3 4,-2.1 2,-0.2 5,-0.3 0.932 116.3 47.6 -65.6 -46.8 11.1 20.3 88.9 214 221 A A H X S+ 0 0 13 -4,-2.6 4,-2.4 -5,-0.2 5,-0.3 0.904 111.3 53.1 -60.3 -41.7 14.8 20.5 88.1 215 222 A T H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.2 5,-0.2 0.941 110.8 43.9 -60.7 -51.7 14.4 17.6 85.7 216 223 A Y H X S+ 0 0 99 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.956 117.5 43.2 -60.7 -52.5 11.6 19.0 83.6 217 224 A F H X S+ 0 0 134 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.859 117.0 45.7 -69.7 -33.3 13.0 22.5 83.3 218 225 A L H X S+ 0 0 43 -4,-2.4 4,-2.6 -5,-0.3 -1,-0.2 0.875 111.3 52.6 -74.0 -37.5 16.6 21.4 82.6 219 226 A S H X S+ 0 0 0 -4,-2.5 4,-1.4 -5,-0.3 -2,-0.2 0.949 112.3 46.2 -59.2 -47.5 15.4 18.8 80.0 220 227 A A H <>S+ 0 0 13 -4,-2.6 5,-3.1 -5,-0.2 6,-0.2 0.889 112.4 51.4 -60.0 -41.6 13.4 21.6 78.3 221 228 A L H ><5S+ 0 0 121 -4,-1.9 3,-0.8 1,-0.2 -2,-0.2 0.914 112.8 44.0 -61.8 -44.5 16.4 23.9 78.5 222 229 A F H 3<5S+ 0 0 68 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.649 114.0 49.8 -79.5 -16.8 18.8 21.4 76.9 223 230 A H T ><5S- 0 0 74 -4,-1.4 3,-1.5 3,-0.4 -1,-0.2 -0.127 118.8 -98.8-116.2 35.7 16.4 20.3 74.2 224 231 A K T < 5S- 0 0 204 -3,-0.8 -3,-0.2 1,-0.3 -2,-0.1 0.802 87.8 -39.3 57.6 38.3 15.4 23.7 72.8 225 232 A G T 3 - 0 0 31 -2,-0.2 4,-2.3 1,-0.1 5,-0.1 -0.960 8.0-150.5-108.1 127.5 12.6 14.2 76.9 229 236 A I H > S+ 0 0 76 -2,-0.5 4,-2.5 2,-0.2 5,-0.2 0.800 100.9 56.1 -65.6 -27.6 10.3 11.6 78.3 230 237 A V H > S+ 0 0 37 2,-0.2 4,-1.8 1,-0.2 5,-0.4 0.926 107.3 48.0 -68.3 -45.7 13.3 9.5 79.1 231 238 A D H >>S+ 0 0 6 1,-0.2 4,-2.3 2,-0.2 5,-0.6 0.941 113.8 49.1 -53.5 -49.3 14.8 12.4 81.2 232 239 A M H X5S+ 0 0 39 -4,-2.3 4,-0.9 1,-0.2 -2,-0.2 0.918 110.6 47.1 -61.9 -48.6 11.5 12.8 82.9 233 240 A A H <5S+ 0 0 1 -4,-2.5 -1,-0.2 1,-0.1 4,-0.2 0.859 127.1 25.6 -62.1 -37.0 10.9 9.1 83.8 234 241 A N H ><5S+ 0 0 4 -4,-1.8 3,-1.2 -5,-0.2 4,-0.3 0.919 117.4 49.9 -98.1 -53.0 14.4 8.6 85.2 235 242 A A H ><5S+ 0 0 0 -4,-2.3 3,-1.4 -5,-0.4 4,-0.3 0.761 99.1 67.7 -66.8 -26.2 16.0 11.9 86.4 236 243 A A T >< S+ 0 0 0 -3,-1.2 4,-1.6 1,-0.2 3,-0.9 0.601 81.6 88.2 -76.8 -12.1 13.9 9.9 90.8 238 245 A A H <> S+ 0 0 0 -3,-1.4 4,-2.9 -4,-0.3 -1,-0.2 0.712 78.4 65.0 -62.7 -20.8 17.4 11.3 91.3 239 246 A G H <> S+ 0 0 0 -3,-0.9 4,-1.8 -4,-0.3 -1,-0.3 0.893 102.3 47.6 -65.4 -42.1 16.0 13.2 94.3 240 247 A G H <> S+ 0 0 1 -3,-0.9 4,-0.6 -4,-0.3 -2,-0.2 0.896 114.7 46.6 -63.6 -42.0 15.3 9.9 96.1 241 248 A V H >< S+ 0 0 0 -4,-1.6 3,-1.0 1,-0.2 4,-0.3 0.956 114.2 46.0 -63.9 -50.6 18.7 8.7 95.2 242 249 A A H 3< S+ 0 0 0 -4,-2.9 3,-0.4 1,-0.3 4,-0.3 0.784 110.2 52.9 -68.1 -30.6 20.6 11.8 96.3 243 250 A I H >X S+ 0 0 0 -4,-1.8 4,-1.3 1,-0.2 3,-0.6 0.608 83.7 96.0 -78.9 -12.4 18.7 12.2 99.6 244 251 A G T << S+ 0 0 1 -3,-1.0 -111,-1.9 -4,-0.6 3,-0.5 0.847 79.8 48.5 -48.8 -49.7 19.5 8.7 100.7 245 252 A S T 34 S+ 0 0 0 -3,-0.4 -113,-1.8 -4,-0.3 -1,-0.2 0.853 128.2 20.7 -64.4 -37.0 22.5 9.3 102.9 246 253 A V T X> S+ 0 0 0 -3,-0.6 3,-2.0 -4,-0.3 4,-1.8 0.211 81.7 120.0-120.6 13.4 21.1 12.2 104.9 247 254 A C T 3< S+ 0 0 0 -4,-1.3 -44,-0.3 -3,-0.5 -43,-0.1 0.762 80.4 46.5 -53.5 -31.0 17.3 11.8 104.6 248 255 A N T 34 S+ 0 0 17 -4,-0.2 -1,-0.3 -3,-0.1 -48,-0.2 0.484 118.7 37.9 -91.4 -4.0 16.8 11.4 108.3 249 256 A I T <4 S+ 0 0 69 -3,-2.0 -2,-0.2 -50,-0.1 -1,-0.1 0.614 92.3 89.0-124.4 -18.7 18.9 14.3 109.5 250 257 A V S < S- 0 0 16 -4,-1.8 -47,-0.1 1,-0.1 57,-0.0 -0.351 73.6-110.0 -83.5 161.5 18.5 17.2 107.1 251 258 A G > - 0 0 35 -2,-0.1 4,-2.2 1,-0.1 5,-0.1 -0.409 35.4-102.9 -80.5 167.7 16.0 20.1 107.3 252 259 A P H > S+ 0 0 76 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.857 120.2 47.7 -64.9 -38.7 13.1 20.4 104.7 253 260 A V H > S+ 0 0 110 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.921 111.7 51.4 -68.0 -43.3 14.7 23.2 102.6 254 261 A G H > S+ 0 0 29 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.899 109.1 51.4 -56.7 -42.9 18.0 21.3 102.5 255 262 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.921 109.6 49.2 -60.0 -46.1 16.2 18.2 101.3 256 263 A F H X S+ 0 0 66 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.904 112.4 48.2 -59.8 -43.9 14.5 20.2 98.5 257 264 A V H X S+ 0 0 65 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.896 108.5 52.8 -66.6 -42.3 17.9 21.6 97.5 258 265 A I H X S+ 0 0 16 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.911 109.8 51.4 -57.4 -41.6 19.6 18.2 97.5 259 266 A G H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.3 0.935 107.4 51.1 -58.8 -50.4 16.7 17.1 95.2 260 267 A L H X S+ 0 0 61 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.921 113.3 45.9 -52.4 -48.2 17.2 20.0 92.8 261 268 A L H X S+ 0 0 90 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 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