==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 29-NOV-07 3BHS . COMPND 2 MOLECULE: AMMONIUM TRANSPORTER FAMILY PROTEIN RH50; . SOURCE 2 ORGANISM_SCIENTIFIC: NITROSOMONAS EUROPAEA ATCC 19718; . AUTHOR F.GRUSWITZ,C-M.HO,M.C.DEL ROSARIO,C.M.WESTHOFF,R.M.STROUD, . 379 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16308.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 306 80.7 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 . 5 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 227 59.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 4.2 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 2 0 1 1 1 0 0 0 0 0 2 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 0 205 0, 0.0 2,-1.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -48.0 9.0 2.8 126.3 2 9 A N > - 0 0 78 1,-0.2 4,-1.4 2,-0.0 5,-0.1 -0.887 360.0-165.7 -84.5 101.4 5.4 3.9 125.7 3 10 A E H > S+ 0 0 155 -2,-1.1 4,-2.2 1,-0.2 3,-0.3 0.896 77.8 57.4 -64.5 -36.2 5.1 0.9 123.4 4 11 A A H > S+ 0 0 63 1,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.939 107.1 48.2 -62.2 -41.5 1.9 2.1 121.9 5 12 A R H > S+ 0 0 97 1,-0.3 4,-1.5 2,-0.2 -1,-0.3 0.803 109.3 53.3 -74.8 -24.2 3.4 5.3 120.8 6 13 A L H X S+ 0 0 80 -4,-1.4 4,-2.2 -3,-0.3 -1,-0.3 0.860 108.4 48.5 -74.7 -38.6 6.4 3.5 119.3 7 14 A V H X S+ 0 0 87 -4,-2.2 4,-2.3 2,-0.2 5,-0.3 0.918 110.2 54.0 -63.8 -44.3 4.2 1.2 117.2 8 15 A A H X S+ 0 0 21 -4,-2.7 4,-1.7 -5,-0.2 -2,-0.2 0.917 110.5 46.2 -51.9 -45.1 2.3 4.3 116.1 9 16 A Q H X S+ 0 0 32 -4,-1.5 4,-2.3 2,-0.2 -1,-0.2 0.890 109.0 53.3 -74.0 -40.5 5.5 5.9 115.0 10 17 A Y H X S+ 0 0 118 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.948 110.8 47.5 -58.4 -46.0 6.9 2.9 113.2 11 18 A N H X S+ 0 0 78 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.820 108.3 54.3 -68.2 -32.6 3.7 2.6 111.1 12 19 A Y H X S+ 0 0 29 -4,-1.7 4,-2.9 -5,-0.3 -1,-0.2 0.936 106.8 53.8 -59.8 -44.5 3.9 6.3 110.3 13 20 A S H X S+ 0 0 5 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.871 111.2 43.6 -62.4 -36.0 7.4 5.7 109.0 14 21 A I H X S+ 0 0 68 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.906 112.1 52.7 -74.9 -42.2 6.2 2.9 106.7 15 22 A N H X S+ 0 0 41 -4,-2.3 4,-1.7 1,-0.2 3,-0.3 0.963 112.4 46.7 -50.3 -48.6 3.2 4.9 105.5 16 23 A I H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.904 107.0 56.4 -65.7 -37.4 5.6 7.7 104.7 17 24 A L H X S+ 0 0 50 -4,-1.8 4,-2.3 1,-0.2 5,-0.3 0.861 103.7 55.2 -66.2 -30.9 8.0 5.4 103.0 18 25 A A H X>S+ 0 0 25 -4,-1.9 5,-2.4 -3,-0.3 4,-0.7 0.917 107.3 49.7 -64.6 -44.9 5.1 4.4 100.7 19 26 A M H <>S+ 0 0 2 -4,-1.7 5,-2.8 3,-0.2 6,-0.4 0.942 111.0 50.2 -56.4 -47.6 4.6 8.0 99.8 20 27 A L H <>S+ 0 0 0 -4,-2.3 5,-0.6 3,-0.2 -2,-0.2 0.965 124.5 23.8 -60.3 -53.7 8.2 8.5 99.0 21 28 A L H X5S+ 0 0 47 -4,-2.3 4,-1.2 3,-0.2 5,-0.3 0.989 137.1 20.4 -79.7 -71.9 8.7 5.5 96.7 22 29 A V H X5S+ 0 0 60 -4,-0.7 4,-2.2 -5,-0.3 5,-0.4 0.927 127.6 50.3 -68.4 -36.6 5.3 4.5 95.2 23 30 A G H >< S+ 0 0 59 -4,-2.2 3,-0.7 -5,-0.3 4,-0.3 0.805 110.4 62.2 -80.2 -25.7 4.5 6.8 90.2 27 34 A L H >< S+ 0 0 9 -4,-1.8 3,-1.3 -5,-0.4 -1,-0.2 0.953 107.0 49.0 -57.4 -45.1 3.1 10.3 90.2 28 35 A M G >< S+ 0 0 4 -4,-2.0 3,-1.1 1,-0.3 -1,-0.2 0.597 88.9 81.5 -68.8 -12.6 6.2 11.1 88.2 29 36 A V G < + 0 0 10 -3,-0.7 -1,-0.3 -4,-0.3 5,-0.2 0.605 63.9 95.6 -70.6 -4.6 5.6 8.2 85.8 30 37 A F G < + 0 0 17 -3,-1.3 2,-0.4 -4,-0.3 136,-0.4 0.851 57.0 99.2 -54.5 -30.9 3.1 10.5 84.0 31 38 A V S X S- 0 0 2 -3,-1.1 3,-2.3 1,-0.1 4,-0.3 -0.453 80.9-133.5 -69.3 120.8 6.0 11.4 81.6 32 39 A R T 3 S+ 0 0 62 132,-2.6 3,-0.2 -2,-0.4 -1,-0.1 0.672 92.0 17.4 -56.6 -48.0 5.2 9.1 78.7 33 40 A R T 3 S+ 0 0 48 314,-0.5 316,-3.0 131,-0.2 -1,-0.3 -0.064 112.9 75.2-114.6 33.3 8.6 7.6 77.8 34 41 A Y <> + 0 0 4 -3,-2.3 4,-2.7 -5,-0.2 5,-0.2 0.195 54.1 112.2-128.4 10.3 10.4 8.4 81.2 35 42 A G H > S+ 0 0 16 -4,-0.3 4,-2.0 1,-0.2 5,-0.2 0.816 78.1 50.7 -55.9 -40.8 8.9 5.8 83.6 36 43 A F H > S+ 0 0 101 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.928 115.0 43.6 -67.0 -41.4 12.1 3.8 84.0 37 44 A S H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.848 111.6 53.6 -74.6 -33.0 14.1 7.0 84.8 38 45 A A H X S+ 0 0 0 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.943 115.4 39.5 -68.6 -41.4 11.4 8.4 87.1 39 46 A T H X S+ 0 0 38 -4,-2.0 4,-2.3 -5,-0.2 -2,-0.2 0.940 118.1 46.5 -74.1 -45.9 11.2 5.2 89.2 40 47 A T H X S+ 0 0 46 -4,-2.6 4,-2.5 -5,-0.2 5,-0.2 0.950 113.8 50.1 -59.1 -46.9 15.0 4.6 89.2 41 48 A G H X S+ 0 0 0 -4,-2.5 4,-2.2 -5,-0.3 -1,-0.2 0.893 107.6 53.1 -63.1 -36.1 15.7 8.2 90.0 42 49 A T H X S+ 0 0 3 -4,-1.9 4,-2.3 -5,-0.2 -1,-0.2 0.933 108.4 50.1 -59.5 -44.7 13.2 8.0 92.8 43 50 A Y H X S+ 0 0 158 -4,-2.3 4,-3.0 1,-0.2 5,-0.2 0.912 110.0 52.2 -60.1 -42.4 15.0 5.0 94.3 44 51 A L H X S+ 0 0 53 -4,-2.5 4,-1.4 2,-0.2 5,-0.3 0.859 108.3 49.8 -63.8 -36.8 18.3 6.9 94.0 45 52 A V H X S+ 0 0 1 -4,-2.2 4,-2.7 -5,-0.2 5,-0.3 0.949 115.6 42.5 -66.1 -43.9 16.9 9.9 95.9 46 53 A V H X S+ 0 0 10 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.936 115.3 48.7 -65.8 -47.2 15.6 7.7 98.7 47 54 A A H < S+ 0 0 65 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.727 119.3 38.7 -70.9 -24.1 18.7 5.5 98.9 48 55 A T H X S+ 0 0 30 -4,-1.4 4,-1.6 -5,-0.2 -1,-0.2 0.879 118.5 46.4 -86.8 -48.4 21.0 8.5 98.9 49 56 A G H X S+ 0 0 1 -4,-2.7 4,-2.4 -5,-0.3 5,-0.3 0.852 104.8 57.4 -68.9 -36.0 19.0 10.8 101.1 50 57 A L H X S+ 0 0 37 -4,-2.4 4,-2.2 -5,-0.3 5,-0.2 0.984 113.6 37.2 -65.1 -57.2 18.0 8.4 103.9 51 58 A P H > S+ 0 0 74 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.869 115.2 56.0 -59.7 -35.3 21.6 7.4 104.9 52 59 A L H X S+ 0 0 37 -4,-1.6 4,-2.6 1,-0.2 -2,-0.2 0.968 111.2 41.5 -64.9 -48.9 23.0 10.9 104.4 53 60 A Y H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.920 114.1 52.0 -63.8 -42.6 20.5 12.5 106.7 54 61 A I H X S+ 0 0 43 -4,-2.2 4,-2.3 -5,-0.3 -1,-0.2 0.909 111.2 48.9 -61.3 -41.4 20.8 9.8 109.3 55 62 A L H X S+ 0 0 103 -4,-2.7 4,-1.5 -5,-0.2 -2,-0.2 0.934 110.8 50.4 -61.3 -47.8 24.6 10.2 109.1 56 63 A L H <>S+ 0 0 29 -4,-2.6 5,-2.2 1,-0.2 -2,-0.2 0.910 115.0 42.0 -57.4 -45.5 24.4 14.0 109.5 57 64 A R H ><5S+ 0 0 21 -4,-2.8 3,-1.9 1,-0.2 9,-1.2 0.816 105.6 62.8 -72.7 -34.4 22.1 13.7 112.6 58 65 A A H 3<5S+ 0 0 35 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.904 107.6 46.6 -57.0 -34.1 24.1 10.9 114.1 59 66 A N T 3<5S- 0 0 111 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.165 116.3-114.6 -94.4 16.5 26.9 13.4 114.3 60 67 A G T X 5 + 0 0 36 -3,-1.9 3,-0.6 1,-0.2 2,-0.4 0.794 55.1 165.5 55.9 33.7 24.8 16.3 115.7 61 68 A I T 3 < - 0 0 66 -5,-2.2 -1,-0.2 1,-0.2 -2,-0.1 -0.703 68.4 -12.1 -83.3 131.2 25.2 18.4 112.6 62 69 A F T 3 S+ 0 0 73 -2,-0.4 -1,-0.2 53,-0.0 2,-0.2 0.836 135.0 19.2 40.6 51.0 22.7 21.3 112.5 63 70 A G S < S- 0 0 14 -3,-0.6 3,-0.1 53,-0.1 53,-0.0 -0.689 105.8 -45.5 151.7 168.1 20.6 20.0 115.4 64 71 A H S S- 0 0 155 -2,-0.2 -4,-0.1 1,-0.1 -3,-0.1 -0.267 70.5-100.5 -53.1 142.8 20.5 17.6 118.3 65 72 A A - 0 0 60 -5,-0.2 2,-0.4 -7,-0.1 -7,-0.2 -0.304 32.0-153.1 -68.1 150.0 22.0 14.2 117.5 66 73 A L - 0 0 33 -9,-1.2 -6,-0.1 -12,-0.2 4,-0.1 -0.997 21.7-118.5-122.5 131.4 19.6 11.4 116.7 67 74 A T - 0 0 92 -2,-0.4 6,-0.4 1,-0.1 3,-0.2 -0.522 19.8-132.7 -68.3 131.3 20.7 7.9 117.3 68 75 A P S S+ 0 0 61 0, 0.0 2,-2.5 0, 0.0 6,-0.1 0.905 99.3 64.0 -47.7 -51.4 20.7 5.9 114.1 69 76 A H S S+ 0 0 190 4,-0.1 2,-0.3 3,-0.1 -2,-0.1 -0.379 87.3 97.0 -79.5 61.5 18.9 2.9 115.5 70 77 A S S > S- 0 0 26 -2,-2.5 4,-1.2 -3,-0.2 3,-0.2 -0.990 75.7-132.5-144.7 147.0 15.7 4.8 116.2 71 78 A V H > S+ 0 0 29 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.853 109.7 65.0 -63.2 -33.8 12.4 5.3 114.4 72 79 A D H > S+ 0 0 71 1,-0.2 4,-2.1 2,-0.2 5,-0.3 0.932 97.5 54.2 -50.3 -46.7 12.9 9.0 115.1 73 80 A A H > S+ 0 0 2 -6,-0.4 4,-1.6 1,-0.2 -1,-0.2 0.897 109.8 47.5 -59.8 -39.6 16.0 8.9 112.9 74 81 A V H X S+ 0 0 46 -4,-1.2 4,-2.4 2,-0.2 -1,-0.2 0.951 108.9 51.6 -66.7 -48.3 14.0 7.4 110.0 75 82 A I H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.938 113.0 44.3 -60.5 -47.0 11.0 9.8 110.2 76 83 A Y H X S+ 0 0 62 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.875 113.4 51.3 -68.2 -32.1 13.2 13.0 110.1 77 84 A A H X S+ 0 0 0 -4,-1.6 4,-2.3 -5,-0.3 -1,-0.2 0.855 105.7 56.6 -69.5 -34.9 15.3 11.5 107.3 78 85 A E H X S+ 0 0 2 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.902 103.1 53.8 -65.3 -38.1 12.1 10.7 105.4 79 86 A F H X S+ 0 0 8 -4,-1.8 4,-1.3 2,-0.2 -1,-0.2 0.888 108.0 50.1 -64.4 -39.1 11.1 14.4 105.5 80 87 A A H X S+ 0 0 0 -4,-1.5 4,-1.5 2,-0.2 3,-0.2 0.922 111.3 49.0 -59.8 -45.1 14.5 15.4 104.0 81 88 A V H X S+ 0 0 1 -4,-2.3 4,-2.0 1,-0.2 5,-0.2 0.900 103.9 59.5 -65.6 -37.2 14.0 12.9 101.3 82 89 A A H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.876 104.3 51.9 -56.1 -38.2 10.4 14.2 100.6 83 90 A T H X S+ 0 0 0 -4,-1.3 4,-2.4 -3,-0.2 -1,-0.2 0.883 107.5 52.6 -71.7 -31.9 12.0 17.6 99.9 84 91 A G H X S+ 0 0 0 -4,-1.5 4,-2.5 2,-0.2 -1,-0.2 0.861 109.3 48.3 -65.2 -38.7 14.4 15.9 97.4 85 92 A L H X S+ 0 0 1 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.866 110.5 51.3 -72.2 -35.8 11.5 14.2 95.6 86 93 A I H >X S+ 0 0 0 -4,-2.0 4,-0.7 -5,-0.2 3,-0.6 0.968 111.7 47.4 -63.0 -49.5 9.6 17.5 95.4 87 94 A A H >X S+ 0 0 0 -4,-2.4 3,-1.3 1,-0.3 4,-1.1 0.913 108.7 55.3 -58.4 -43.4 12.7 19.1 93.9 88 95 A M H 3X S+ 0 0 0 -4,-2.5 4,-1.1 1,-0.3 3,-0.3 0.854 97.3 63.2 -56.7 -35.2 13.1 16.3 91.5 89 96 A G H << S+ 0 0 2 -4,-1.6 198,-2.3 -3,-0.6 -1,-0.3 0.748 100.1 55.0 -66.6 -21.3 9.6 16.8 90.3 90 97 A A H << S+ 0 0 0 -3,-1.3 196,-2.5 -4,-0.7 -1,-0.2 0.884 121.3 27.8 -70.4 -39.1 10.7 20.3 89.0 91 98 A V H >< S+ 0 0 0 -4,-1.1 3,-2.3 -3,-0.3 4,-0.4 0.288 82.5 144.8-113.6 8.5 13.6 19.0 87.0 92 99 A L T 3< S+ 0 0 0 -4,-1.1 194,-0.1 1,-0.3 -54,-0.1 -0.235 74.2 16.4 -54.8 133.5 12.4 15.5 86.1 93 100 A G T 3 S+ 0 0 1 2,-0.2 254,-1.7 -59,-0.1 255,-0.3 0.115 111.4 77.0 92.3 -20.1 13.6 14.5 82.6 94 101 A R S < S+ 0 0 2 -3,-2.3 2,-0.3 252,-0.2 249,-0.3 0.321 84.1 72.2-106.8 5.9 16.2 17.2 82.3 95 102 A L S S- 0 0 0 -4,-0.4 -2,-0.2 247,-0.1 2,-0.2 -0.896 87.1-114.8-111.2 148.4 18.8 15.4 84.6 96 103 A R >> - 0 0 97 -2,-0.3 3,-1.5 245,-0.2 4,-0.6 -0.535 39.4-107.4 -71.4 153.0 20.7 12.3 83.7 97 104 A V H >> S+ 0 0 14 1,-0.3 3,-2.4 2,-0.2 4,-0.6 0.925 119.0 54.7 -58.1 -48.2 19.7 9.5 86.0 98 105 A F H >> S+ 0 0 88 1,-0.3 4,-1.1 2,-0.2 3,-0.8 0.795 98.1 67.9 -53.1 -28.1 22.8 9.5 88.1 99 106 A Q H <> S+ 0 0 1 -3,-1.5 4,-2.7 1,-0.2 -1,-0.3 0.727 83.1 69.8 -71.9 -17.1 22.2 13.2 88.7 100 107 A Y H S+ 0 0 47 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.885 115.4 48.4 -51.0 -38.5 22.4 19.5 103.8 110 117 A V H X S+ 0 0 30 -4,-1.0 4,-2.4 2,-0.2 -2,-0.2 0.885 110.0 51.3 -74.5 -35.1 20.5 22.6 102.8 111 118 A Y H X S+ 0 0 4 -4,-3.0 4,-2.5 2,-0.2 -1,-0.2 0.951 110.8 49.1 -65.6 -45.5 17.2 21.2 104.1 112 119 A L H X S+ 0 0 0 -4,-2.7 4,-3.1 -5,-0.2 5,-0.2 0.947 108.8 52.4 -55.4 -50.7 18.9 20.4 107.4 113 120 A L H X S+ 0 0 46 -4,-2.5 4,-3.2 1,-0.2 5,-0.3 0.949 112.2 46.8 -53.0 -44.8 20.4 23.9 107.7 114 121 A N H X>S+ 0 0 1 -4,-2.4 4,-2.8 1,-0.2 5,-0.8 0.894 109.4 52.4 -66.6 -39.5 16.9 25.4 107.1 115 122 A E H X>S+ 0 0 12 -4,-2.5 5,-2.1 3,-0.2 4,-0.8 0.943 114.5 43.9 -58.9 -47.8 15.3 23.0 109.6 116 123 A W H <5S+ 0 0 92 -4,-3.1 6,-2.4 3,-0.2 4,-0.4 0.977 117.6 43.2 -64.2 -54.4 17.9 24.1 112.2 117 124 A L H <5S+ 0 0 41 -4,-3.2 6,-1.9 4,-0.2 7,-0.3 0.898 130.4 21.7 -57.1 -45.9 17.7 27.9 111.5 118 125 A V H <5S+ 0 0 1 -4,-2.8 11,-0.2 -5,-0.3 -3,-0.2 0.926 131.9 34.0 -94.6 -55.7 14.0 28.2 111.2 119 126 A L T < + 0 0 48 -6,-0.3 3,-1.6 -3,-0.1 -4,-0.2 0.820 55.7 151.1 57.2 34.5 15.2 28.8 115.7 122 129 A A T 3 S+ 0 0 43 -6,-2.4 -5,-0.2 1,-0.3 -4,-0.1 0.803 70.7 64.4 -58.0 -25.7 19.0 28.6 115.5 123 130 A S T 3 S- 0 0 35 -6,-1.9 -1,-0.3 -7,-0.3 -5,-0.1 0.739 99.9-139.3 -67.0 -24.2 18.5 31.9 113.7 124 131 A G S < S+ 0 0 57 -3,-1.6 3,-0.3 -7,-0.3 -1,-0.1 0.280 87.1 84.3 74.3 -9.5 17.1 33.6 116.9 125 132 A L S S+ 0 0 107 -8,-0.2 193,-0.2 1,-0.2 192,-0.2 0.421 75.4 63.1-101.8 -1.5 14.5 35.2 114.5 126 133 A T > + 0 0 2 -9,-0.3 3,-2.0 191,-0.1 -1,-0.2 0.040 58.1 151.7-120.9 30.0 11.8 32.5 114.3 127 134 A E T 3 S+ 0 0 159 -3,-0.3 187,-0.1 1,-0.3 188,-0.1 -0.391 75.5 19.6 -60.7 136.1 10.5 32.0 117.7 128 135 A G T 3 S+ 0 0 43 1,-0.2 -1,-0.3 186,-0.1 187,-0.1 0.534 82.5 168.8 80.9 7.6 6.9 30.8 117.5 129 136 A F < - 0 0 28 -3,-2.0 2,-0.6 -11,-0.2 -1,-0.2 -0.305 25.0-146.8 -54.6 131.3 7.2 29.6 113.9 130 137 A Q + 0 0 35 171,-0.1 174,-0.2 181,-0.1 115,-0.1 -0.918 48.5 125.2-111.3 109.9 4.0 27.6 113.1 131 138 A D > + 0 0 17 -2,-0.6 3,-0.9 113,-0.1 114,-0.2 -0.233 21.2 170.0-161.4 59.3 4.6 24.7 110.7 132 139 A S T 3 S+ 0 0 26 113,-1.9 113,-0.2 1,-0.3 59,-0.2 0.826 83.9 17.5 -54.6 -41.8 3.4 21.5 112.2 133 140 A A T 3 S- 0 0 10 111,-2.0 -1,-0.3 108,-0.1 112,-0.2 0.205 114.6 -95.2-121.9 12.1 3.8 19.4 109.0 134 141 A G <>> + 0 0 4 -3,-0.9 5,-2.6 110,-0.2 4,-1.9 0.798 60.4 153.5 91.0 29.6 6.0 21.4 106.8 135 142 A S T 4>S+ 0 0 0 3,-0.2 5,-2.5 4,-0.2 165,-0.1 0.873 95.7 19.6 -52.7 -39.2 4.0 23.5 104.4 136 143 A I T 4>S+ 0 0 1 3,-0.2 5,-2.4 4,-0.2 -1,-0.1 0.849 127.8 48.3 -95.0 -51.1 7.1 25.8 104.4 137 144 A A T 45S+ 0 0 3 3,-0.2 -2,-0.2 4,-0.1 -22,-0.1 0.754 131.3 14.2 -66.8 -28.1 9.9 23.6 105.6 138 145 A I T X5S+ 0 0 7 -4,-1.9 4,-2.3 3,-0.1 5,-0.2 0.763 133.0 33.3-107.4 -57.9 9.2 20.7 103.3 139 146 A H H > - 0 0 38 -2,-0.3 4,-2.3 -61,-0.1 5,-0.2 -0.590 25.8-115.5 -95.7 161.0 19.1 24.2 78.3 156 163 A A H > S+ 0 0 62 1,-0.2 4,-1.1 2,-0.2 -1,-0.1 0.890 118.4 59.0 -59.7 -38.1 17.2 25.8 75.4 157 164 A A H >4 S+ 0 0 76 1,-0.2 3,-0.9 2,-0.2 4,-0.4 0.948 107.6 45.5 -51.9 -50.7 17.5 22.4 73.7 158 165 A Q H >4 S+ 0 0 4 1,-0.3 3,-1.7 2,-0.2 -2,-0.2 0.877 105.6 59.3 -64.4 -38.2 15.6 20.8 76.6 159 166 A R H 3< S+ 0 0 80 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.756 102.2 55.8 -65.3 -20.5 12.9 23.6 76.6 160 167 A A T << S+ 0 0 84 -4,-1.1 -1,-0.3 -3,-0.9 -2,-0.2 0.566 87.9 90.4 -84.7 -12.9 12.1 22.6 73.0 161 168 A Q S < S- 0 0 69 -3,-1.7 2,-0.1 -4,-0.4 186,-0.1 -0.750 80.8-126.5 -87.2 127.1 11.4 19.0 73.9 162 169 A P - 0 0 79 0, 0.0 2,-0.7 0, 0.0 -2,-0.1 -0.423 7.2-128.1 -78.0 151.3 7.8 18.5 74.8 163 170 A I - 0 0 57 -2,-0.1 2,-0.2 -131,-0.0 184,-0.0 -0.889 40.3-176.5 -95.1 109.9 6.6 16.9 78.1 164 171 A E + 0 0 91 -2,-0.7 -132,-2.6 183,-0.1 2,-0.3 -0.704 16.3 179.9-110.7 160.3 4.1 14.1 76.9 165 172 A S - 0 0 47 -134,-0.2 2,-0.2 -2,-0.2 -134,-0.1 -0.922 5.9-164.2-146.2 166.5 1.8 11.6 78.6 166 173 A D > - 0 0 63 -136,-0.4 4,-2.5 -2,-0.3 5,-0.3 -0.826 45.0 -81.3-144.1-175.8 -0.6 8.9 77.4 167 174 A A H > S+ 0 0 68 -2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.852 127.2 45.3 -61.2 -35.5 -3.5 6.8 78.9 168 175 A T H > S+ 0 0 71 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.951 113.4 46.4 -73.6 -47.0 -1.1 4.3 80.5 169 176 A S H > S+ 0 0 6 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.890 114.1 49.7 -65.4 -40.2 1.4 6.8 82.0 170 177 A D H X S+ 0 0 22 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.778 106.5 54.5 -70.4 -28.3 -1.4 8.9 83.4 171 178 A R H X S+ 0 0 168 -4,-1.3 4,-1.5 -5,-0.3 -2,-0.2 0.909 109.5 48.6 -67.3 -42.6 -3.1 5.9 85.0 172 179 A F H X S+ 0 0 88 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.928 108.6 55.1 -56.7 -42.8 0.2 5.2 86.7 173 180 A S H X S+ 0 0 4 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.903 105.5 51.2 -58.1 -39.7 0.2 8.8 87.7 174 181 A M H X S+ 0 0 44 -4,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.833 104.7 57.2 -69.4 -29.6 -3.2 8.5 89.3 175 182 A L H X S+ 0 0 86 -4,-1.5 4,-1.9 -3,-0.2 -2,-0.2 0.957 109.2 45.3 -66.2 -45.2 -1.9 5.5 91.3 176 183 A G H X S+ 0 0 0 -4,-2.1 4,-2.3 -150,-0.2 5,-0.2 0.916 111.1 54.1 -60.2 -42.2 0.9 7.6 92.8 177 184 A S H X S+ 0 0 5 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.961 109.7 46.2 -55.9 -52.3 -1.6 10.4 93.5 178 185 A M H X S+ 0 0 120 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.824 110.0 53.6 -63.2 -35.8 -3.9 8.2 95.4 179 186 A V H X S+ 0 0 18 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.925 112.3 44.9 -65.5 -43.3 -1.0 6.6 97.4 180 187 A L H X S+ 0 0 1 -4,-2.3 4,-1.4 -5,-0.2 -2,-0.2 0.959 114.4 50.4 -62.7 -45.2 0.2 10.1 98.5 181 188 A W H < S+ 0 0 62 -4,-2.6 3,-0.5 -5,-0.2 -2,-0.2 0.958 111.8 45.7 -58.9 -49.9 -3.4 11.1 99.3 182 189 A L H < S+ 0 0 94 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.832 118.5 39.5 -73.9 -29.2 -4.2 8.1 101.4 183 190 A F H >X S+ 0 0 49 -4,-1.8 3,-1.4 -5,-0.2 4,-1.4 0.595 87.9 97.7 -91.3 -11.1 -1.0 8.1 103.5 184 191 A W H 3X S+ 0 0 4 -4,-1.4 4,-2.6 -3,-0.5 5,-0.2 0.834 73.1 63.2 -51.3 -37.6 -0.8 11.8 103.8 185 192 A P H 3> S+ 0 0 14 0, 0.0 4,-1.8 0, 0.0 -1,-0.3 0.871 104.1 48.3 -58.8 -36.5 -2.5 11.9 107.3 186 193 A S H <> S+ 0 0 17 -3,-1.4 4,-1.5 2,-0.2 -2,-0.2 0.859 108.5 54.4 -64.1 -39.6 0.4 9.9 108.7 187 194 A F H < S+ 0 0 4 -4,-1.4 4,-0.3 1,-0.2 -1,-0.2 0.914 113.8 43.0 -59.8 -43.1 2.9 12.3 107.0 188 195 A A H < S+ 0 0 1 -4,-2.6 3,-0.3 1,-0.2 -1,-0.2 0.839 119.1 39.9 -71.1 -38.2 1.2 15.1 108.7 189 196 A T H >< S+ 0 0 1 -4,-1.8 3,-1.7 -5,-0.2 -1,-0.2 0.586 85.3 99.2 -92.4 -8.0 0.8 13.6 112.2 190 197 A A T 3< S+ 0 0 11 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.805 96.3 24.4 -57.7 -39.0 4.1 11.9 112.5 191 198 A I T 3 S+ 0 0 72 -3,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.149 99.1 102.2-115.2 19.1 5.8 14.5 114.6 192 199 A V S < S- 0 0 15 -3,-1.7 5,-0.1 1,-0.1 -3,-0.0 -0.739 90.6 -86.4 -88.3 146.6 2.8 16.1 116.2 193 200 A P > - 0 0 62 0, 0.0 3,-1.8 0, 0.0 4,-0.3 -0.253 36.6-117.2 -51.2 143.7 2.2 14.9 119.9 194 201 A F G > S+ 0 0 75 1,-0.3 3,-1.8 2,-0.2 -2,-0.0 0.847 112.7 62.8 -50.5 -37.0 0.2 11.7 120.1 195 202 A E G 3 S+ 0 0 128 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.768 104.5 47.3 -65.7 -25.5 -2.6 13.5 121.9 196 203 A Q G <> S+ 0 0 64 -3,-1.8 4,-2.5 1,-0.1 -1,-0.3 0.340 84.7 99.3 -93.3 3.4 -3.3 15.7 118.9 197 204 A M H <> S+ 0 0 53 -3,-1.8 4,-3.0 -4,-0.3 5,-0.4 0.936 78.2 51.0 -64.0 -50.5 -3.3 12.8 116.3 198 205 A P H > S+ 0 0 74 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.925 114.4 44.7 -58.5 -39.0 -7.0 12.3 115.9 199 206 A Q H > S+ 0 0 83 -4,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.909 114.8 49.1 -63.9 -45.5 -7.4 16.0 115.3 200 207 A T H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.928 112.7 44.7 -65.9 -43.9 -4.5 16.2 112.9 201 208 A I H X S+ 0 0 42 -4,-3.0 4,-2.5 2,-0.2 5,-0.2 0.929 114.6 49.0 -72.0 -39.1 -5.4 13.1 110.8 202 209 A V H X S+ 0 0 69 -4,-2.1 4,-2.6 -5,-0.4 5,-0.3 0.974 113.1 48.2 -59.8 -48.4 -9.1 14.2 110.5 203 210 A N H X S+ 0 0 4 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.904 110.9 51.4 -61.5 -38.1 -8.1 17.7 109.6 204 211 A T H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.961 111.2 46.6 -65.3 -44.0 -5.7 16.4 107.0 205 212 A L H X S+ 0 0 63 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.874 112.0 50.8 -62.8 -42.1 -8.3 14.2 105.4 206 213 A L H X S+ 0 0 53 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.887 109.9 50.0 -69.5 -36.7 -10.9 17.0 105.3 207 214 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 -5,-0.3 -2,-0.2 0.909 111.0 49.5 -64.0 -39.9 -8.4 19.3 103.7 208 215 A L H X S+ 0 0 0 -4,-2.3 4,-2.0 31,-0.2 -2,-0.2 0.940 110.5 50.7 -63.6 -43.6 -7.6 16.7 101.1 209 216 A C H X S+ 0 0 49 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.940 110.5 49.2 -59.7 -48.0 -11.3 16.2 100.5 210 217 A G H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.936 112.5 46.8 -53.6 -47.5 -11.8 19.9 100.0 211 218 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.809 110.3 53.8 -68.9 -28.0 -8.9 20.2 97.6 212 219 A T H X S+ 0 0 32 -4,-2.0 4,-2.2 24,-0.2 -1,-0.2 0.922 111.6 43.7 -73.6 -43.5 -10.1 17.2 95.6 213 220 A L H X S+ 0 0 88 -4,-2.3 4,-2.1 -5,-0.2 5,-0.3 0.936 117.1 46.3 -67.2 -45.5 -13.6 18.7 95.1 214 221 A A H X S+ 0 0 14 -4,-2.5 4,-2.6 -5,-0.2 5,-0.3 0.910 111.3 53.6 -62.4 -41.4 -12.2 22.1 94.3 215 222 A T H X S+ 0 0 0 -4,-2.3 4,-2.4 -5,-0.2 5,-0.2 0.955 110.5 45.2 -61.2 -46.4 -9.7 20.6 91.9 216 223 A Y H X S+ 0 0 98 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.952 116.7 43.3 -64.1 -50.5 -12.3 18.7 89.9 217 224 A F H X S+ 0 0 133 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.928 117.0 45.8 -69.0 -36.7 -14.8 21.5 89.6 218 225 A L H X S+ 0 0 44 -4,-2.6 4,-2.7 -5,-0.3 -1,-0.2 0.869 111.1 52.0 -72.5 -36.2 -12.2 24.2 88.8 219 226 A S H X S+ 0 0 0 -4,-2.4 4,-1.3 -5,-0.3 -1,-0.2 0.950 112.0 47.1 -59.4 -48.4 -10.4 22.0 86.3 220 227 A A H <>S+ 0 0 14 -4,-2.4 5,-3.7 -5,-0.2 6,-0.3 0.870 113.1 51.2 -61.7 -35.4 -13.7 21.4 84.5 221 228 A L H ><5S+ 0 0 120 -4,-2.0 3,-1.2 1,-0.2 -2,-0.2 0.954 112.4 42.6 -65.5 -51.8 -14.5 25.1 84.7 222 229 A F H 3<5S+ 0 0 65 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.591 114.5 50.6 -76.8 -14.0 -11.2 26.3 83.2 223 230 A H T ><5S- 0 0 72 -4,-1.3 3,-1.7 3,-0.2 -1,-0.3 -0.124 119.4-103.7-114.6 32.5 -11.2 23.6 80.5 224 231 A K T < 5S- 0 0 203 -3,-1.2 -3,-0.2 1,-0.3 -2,-0.1 0.819 84.8 -35.6 55.1 43.7 -14.7 24.3 79.3 225 232 A G T 3 - 0 0 31 -2,-0.1 4,-2.4 1,-0.1 5,-0.1 -0.945 7.3-148.7-108.1 132.6 -7.4 17.6 83.1 229 236 A I H > S+ 0 0 74 -2,-0.5 4,-2.1 1,-0.2 5,-0.1 0.823 101.1 55.7 -74.3 -28.5 -6.1 14.3 84.5 230 237 A V H > S+ 0 0 40 2,-0.2 4,-1.9 1,-0.2 5,-0.4 0.911 107.8 47.8 -60.5 -44.4 -2.8 16.2 85.4 231 238 A D H >>S+ 0 0 6 1,-0.2 4,-2.4 2,-0.2 5,-0.6 0.967 113.6 48.8 -59.8 -50.8 -4.8 18.7 87.4 232 239 A M H X5S+ 0 0 37 -4,-2.4 4,-0.8 1,-0.2 -1,-0.2 0.886 110.5 48.0 -56.7 -44.7 -6.6 15.9 89.0 233 240 A A H <5S+ 0 0 1 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.886 126.0 25.6 -70.6 -33.4 -3.6 13.8 90.0 234 241 A N H ><5S+ 0 0 7 -4,-1.9 3,-1.4 -5,-0.1 4,-0.3 0.901 117.2 50.5-100.8 -50.5 -1.6 16.7 91.4 235 242 A A H ><5S+ 0 0 0 -4,-2.4 3,-1.5 -5,-0.4 4,-0.3 0.781 97.6 68.2 -71.2 -27.1 -3.9 19.5 92.7 236 243 A A T >< S+ 0 0 0 -3,-1.4 4,-1.7 1,-0.2 3,-1.0 0.607 81.9 87.4 -77.0 -10.1 -3.0 16.8 96.9 238 245 A A H <> S+ 0 0 0 -3,-1.5 4,-3.1 -4,-0.3 -1,-0.2 0.711 78.3 64.0 -60.8 -25.2 -2.8 20.5 97.6 239 246 A G H <> S+ 0 0 0 -3,-0.9 4,-1.6 -4,-0.3 -31,-0.2 0.876 103.6 48.6 -65.1 -36.6 -5.2 20.2 100.5 240 247 A G H <> S+ 0 0 1 -3,-1.0 4,-0.5 -4,-0.3 -2,-0.2 0.920 114.5 45.0 -67.2 -44.9 -2.5 18.1 102.2 241 248 A V H >< S+ 0 0 0 -4,-1.7 3,-1.5 1,-0.2 4,-0.3 0.977 115.6 46.9 -63.3 -47.9 0.2 20.7 101.4 242 249 A A H 3< S+ 0 0 0 -4,-3.1 3,-0.3 1,-0.3 4,-0.3 0.772 109.1 51.8 -69.7 -29.4 -1.9 23.6 102.5 243 250 A I H 3X S+ 0 0 0 -4,-1.6 4,-0.7 1,-0.2 3,-0.5 0.577 83.8 97.7 -83.4 -8.5 -3.1 22.2 105.8 244 251 A G T X< S+ 0 0 2 -3,-1.5 -111,-2.0 -4,-0.5 3,-0.7 0.850 78.8 48.6 -53.1 -47.2 0.5 21.3 106.9 245 252 A S T 34 S+ 0 0 0 -3,-0.3 -113,-1.9 -4,-0.3 -1,-0.2 0.864 126.9 23.0 -63.0 -38.8 1.2 24.4 109.1 246 253 A V T >> S+ 0 0 0 -3,-0.5 4,-1.8 -4,-0.3 3,-1.5 0.123 81.6 120.3-116.6 21.3 -2.0 24.3 111.1 247 254 A C T << S+ 0 0 0 -4,-0.7 -44,-0.2 -3,-0.7 -1,-0.1 0.809 79.1 46.0 -64.1 -33.3 -3.2 20.8 110.9 248 255 A N T 34 S+ 0 0 17 -4,-0.2 -1,-0.3 -3,-0.2 -48,-0.1 0.553 118.4 39.9 -85.1 -6.5 -3.1 20.1 114.6 249 256 A I T <4 S+ 0 0 68 -3,-1.5 -2,-0.2 -50,-0.1 -1,-0.1 0.664 91.5 87.4-119.7 -20.2 -4.8 23.3 115.7 250 257 A V S < S- 0 0 14 -4,-1.8 -47,-0.1 1,-0.1 57,-0.0 -0.295 73.3-112.3 -78.4 165.8 -7.7 24.2 113.3 251 258 A G > - 0 0 38 1,-0.1 4,-2.3 -2,-0.0 5,-0.2 -0.480 36.1 -99.2 -86.2 170.8 -11.3 23.0 113.5 252 259 A P H > S+ 0 0 80 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.853 120.9 47.0 -63.7 -38.3 -12.8 20.6 110.9 253 260 A V H > S+ 0 0 106 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.923 111.2 51.8 -72.6 -38.7 -14.6 23.2 108.9 254 261 A G H > S+ 0 0 32 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.912 109.6 50.9 -59.0 -44.0 -11.5 25.5 108.8 255 262 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.960 109.5 50.0 -56.2 -50.1 -9.4 22.4 107.6 256 263 A F H X S+ 0 0 64 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