==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN/HYDROLASE 11-JUL-12 4G1U . COMPND 2 MOLECULE: HEMIN TRANSPORT SYSTEM PERMEASE PROTEIN HMUU; . SOURCE 2 ORGANISM_SCIENTIFIC: YERSINIA PESTIS; . AUTHOR J.-S.WOO,B.A.GOETZ,A.ZELTINA,K.P.LOCHER . 1113 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45940.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 831 74.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 3.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 70 6.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 6 0.5 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 . 73 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 83 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 528 47.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 1.3 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 1 6 8 2 2 0 2 0 2 0 2 0 4 0 0 2 3 0 3 0 4 2 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 6 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 PARALLEL BRIDGES PER LADDER . 2 2 0 2 4 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 2 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 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 R 0 0 197 0, 0.0 2,-0.3 0, 0.0 244,-0.1 0.000 360.0 360.0 360.0 169.6 -17.8 -16.4 28.6 2 5 A V - 0 0 65 242,-0.8 244,-0.2 0, 0.0 242,-0.0 -0.986 360.0 -89.4-150.1 148.2 -18.9 -19.1 26.1 3 6 A Q > - 0 0 105 -2,-0.3 4,-1.6 1,-0.1 5,-0.1 -0.310 33.7-133.0 -54.8 140.6 -17.2 -21.3 23.5 4 7 A P H > S+ 0 0 18 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.904 102.9 52.6 -66.1 -40.9 -16.9 -19.5 20.1 5 8 A R H > S+ 0 0 153 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.867 109.4 49.7 -65.9 -37.0 -18.2 -22.5 18.0 6 9 A L H > S+ 0 0 122 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.907 111.6 48.8 -63.9 -43.5 -21.3 -22.9 20.2 7 10 A M H X S+ 0 0 12 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.895 112.7 47.5 -65.7 -40.8 -22.1 -19.2 19.8 8 11 A L H X S+ 0 0 38 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.926 113.3 48.0 -64.6 -45.2 -21.6 -19.3 16.1 9 12 A G H X S+ 0 0 34 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.935 113.1 47.9 -60.4 -47.5 -23.8 -22.4 15.8 10 13 A F H X S+ 0 0 107 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.899 112.6 48.2 -61.1 -43.9 -26.5 -20.9 18.0 11 14 A L H X S+ 0 0 16 -4,-2.4 4,-1.8 -5,-0.2 -1,-0.2 0.807 112.3 51.4 -67.2 -28.4 -26.5 -17.6 16.0 12 15 A L H X S+ 0 0 90 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.939 112.0 42.0 -75.9 -48.8 -26.7 -19.6 12.8 13 16 A I H X S+ 0 0 112 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.812 114.7 55.5 -66.7 -25.4 -29.6 -21.8 13.6 14 17 A L H X S+ 0 0 57 -4,-1.6 4,-2.3 -5,-0.3 -2,-0.2 0.901 106.3 49.7 -69.9 -40.4 -31.1 -18.6 15.1 15 18 A L H X S+ 0 0 25 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.926 112.9 47.0 -61.0 -44.9 -30.6 -16.9 11.8 16 19 A V H X S+ 0 0 73 -4,-2.4 4,-2.7 2,-0.2 5,-0.4 0.958 112.8 47.6 -62.6 -52.4 -32.3 -19.8 10.0 17 20 A I H X S+ 0 0 109 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.871 114.1 49.3 -53.6 -39.7 -35.3 -19.9 12.5 18 21 A L H X S+ 0 0 40 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.880 112.6 46.0 -71.8 -39.3 -35.6 -16.1 12.1 19 22 A A H X S+ 0 0 19 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.973 118.7 39.9 -65.9 -56.0 -35.6 -16.1 8.3 20 23 A L H X S+ 0 0 114 -4,-2.7 4,-0.7 1,-0.2 3,-0.3 0.929 117.6 50.5 -59.1 -47.0 -38.0 -19.0 7.9 21 24 A G H >X S+ 0 0 34 -4,-2.2 4,-0.6 -5,-0.4 3,-0.5 0.813 110.3 48.3 -61.1 -35.7 -40.2 -17.7 10.8 22 25 A S H 3< S+ 0 0 6 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.690 99.1 71.0 -79.2 -18.4 -40.3 -14.2 9.3 23 26 A A H 3< S+ 0 0 14 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.763 98.1 47.6 -70.3 -20.3 -41.2 -15.8 6.0 24 27 A N H << 0 0 146 -4,-0.7 -1,-0.2 -3,-0.5 -2,-0.2 0.786 360.0 360.0 -85.8 -20.3 -44.7 -16.6 7.4 25 28 A M < 0 0 102 -4,-0.6 -2,-0.2 0, 0.0 -3,-0.1 0.843 360.0 360.0 -89.8 360.0 -45.1 -13.1 8.8 26 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 27 48 A W > 0 0 207 0, 0.0 4,-1.2 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 -13.5 -47.7 -15.9 -5.1 28 49 A H T 4 + 0 0 125 1,-0.2 0, 0.0 2,-0.1 0, 0.0 0.125 360.0 71.4 -73.0 25.9 -45.2 -13.5 -6.7 29 50 A I T >>S+ 0 0 104 3,-0.1 5,-2.7 4,-0.1 4,-1.5 0.801 96.4 40.2-102.5 -53.5 -45.1 -12.1 -3.1 30 51 A W T 4>S+ 0 0 112 -3,-0.3 5,-1.9 3,-0.2 -2,-0.1 0.897 124.8 38.2 -62.8 -42.4 -43.3 -14.9 -1.2 31 52 A L T <5S+ 0 0 55 -4,-1.2 -1,-0.2 1,-0.1 -3,-0.1 0.865 129.4 26.1 -81.6 -37.5 -40.8 -15.5 -4.0 32 53 A N T 45S+ 0 0 49 -5,-0.2 132,-0.2 3,-0.1 -2,-0.2 0.379 133.2 22.2-114.3 2.9 -40.1 -11.9 -5.3 33 54 A I T X5S+ 0 0 88 -4,-1.5 4,-1.1 130,-0.1 -3,-0.2 0.561 124.0 35.8-129.1 -61.6 -40.9 -9.7 -2.3 34 55 A R H > S+ 0 0 0 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.693 114.6 52.6 -74.7 -12.8 -35.4 -11.0 -0.9 37 58 A R H X S+ 0 0 24 -4,-1.1 4,-2.1 -3,-0.3 -2,-0.2 0.857 111.6 44.9 -82.6 -41.3 -36.5 -8.6 1.9 38 59 A V H X S+ 0 0 6 -4,-2.6 4,-2.3 2,-0.2 -3,-0.2 0.955 116.3 47.5 -60.6 -50.3 -35.7 -11.1 4.5 39 60 A L H X S+ 0 0 66 -4,-2.7 4,-2.7 -5,-0.3 -2,-0.2 0.844 109.6 53.7 -60.5 -33.8 -32.5 -11.9 2.7 40 61 A L H X S+ 0 0 1 -4,-1.1 4,-2.6 2,-0.2 5,-0.3 0.876 106.0 52.2 -69.4 -36.2 -31.8 -8.1 2.4 41 62 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.921 112.1 47.8 -62.1 -42.9 -32.2 -7.8 6.2 42 63 A V H X S+ 0 0 26 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.960 114.9 42.9 -60.5 -53.1 -29.7 -10.5 6.6 43 64 A V H X S+ 0 0 17 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.875 118.2 44.3 -65.4 -38.8 -27.1 -9.1 4.1 44 65 A V H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 5,-0.3 0.910 112.1 52.2 -72.2 -41.5 -27.4 -5.5 5.4 45 66 A G H X S+ 0 0 0 -4,-2.3 4,-2.4 -5,-0.3 216,-0.2 0.918 111.0 48.7 -58.9 -45.0 -27.4 -6.5 9.0 46 67 A C H X S+ 0 0 21 -4,-2.4 4,-2.4 214,-0.2 5,-0.3 0.891 110.6 51.9 -55.9 -43.8 -24.2 -8.5 8.2 47 68 A A H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.933 114.7 40.0 -59.2 -49.0 -22.8 -5.4 6.5 48 69 A L H X S+ 0 0 1 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.859 116.1 51.6 -70.2 -39.0 -23.4 -3.0 9.4 49 70 A A H X S+ 0 0 0 -4,-2.4 4,-2.0 -5,-0.3 -2,-0.2 0.982 116.1 39.0 -58.6 -62.3 -22.4 -5.5 12.0 50 71 A V H X S+ 0 0 3 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.897 117.7 49.6 -57.6 -46.0 -19.1 -6.3 10.3 51 72 A S H X S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.3 -1,-0.2 0.890 110.7 49.5 -60.4 -43.9 -18.5 -2.7 9.4 52 73 A G H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.831 113.4 48.5 -62.8 -35.5 -19.2 -1.5 12.9 53 74 A T H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.932 112.9 44.6 -72.6 -46.8 -16.8 -4.1 14.2 54 75 A I H X S+ 0 0 0 -4,-2.8 4,-2.9 2,-0.2 -2,-0.2 0.927 115.9 50.5 -59.0 -45.8 -14.0 -3.2 11.8 55 76 A M H X S+ 0 0 0 -4,-2.7 4,-2.7 -5,-0.2 5,-0.3 0.975 108.9 48.4 -57.6 -60.1 -14.6 0.4 12.5 56 77 A Q H <>S+ 0 0 0 -4,-2.6 5,-1.6 8,-0.6 4,-0.3 0.842 114.9 49.5 -47.3 -38.1 -14.5 -0.0 16.3 57 78 A G H ><5S+ 0 0 1 -4,-1.9 3,-1.1 3,-0.2 -2,-0.2 0.965 110.6 47.0 -64.6 -53.1 -11.3 -2.0 15.7 58 79 A L H 3<5S+ 0 0 0 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.2 0.879 118.9 38.8 -62.7 -42.9 -9.6 0.6 13.5 59 80 A F T 3<5S- 0 0 15 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.456 103.3-128.8 -88.4 1.4 -10.3 3.6 15.6 60 81 A R T < 5 + 0 0 26 -3,-1.1 -3,-0.2 -4,-0.3 -4,-0.1 0.878 66.1 133.1 49.9 43.1 -9.7 1.6 18.8 61 82 A N > < - 0 0 2 -5,-1.6 3,-1.2 -6,-0.3 -1,-0.2 -0.978 60.5-148.7-129.8 125.4 -13.1 2.9 20.0 62 83 A P T 3 S+ 0 0 31 0, 0.0 -6,-0.1 0, 0.0 177,-0.1 0.614 102.6 48.8 -61.0 -9.4 -16.0 1.0 21.6 63 84 A L T 3 + 0 0 10 -7,-0.1 2,-1.7 -8,-0.1 171,-0.1 0.321 69.5 126.2-118.1 7.7 -18.3 3.5 19.9 64 85 A A < + 0 0 0 -3,-1.2 -8,-0.6 -12,-0.1 -7,-0.1 -0.485 34.3 164.5 -77.6 87.1 -17.1 3.7 16.3 65 86 A D >> - 0 0 0 -2,-1.7 4,-1.5 -10,-0.1 3,-1.1 -0.779 46.3-123.6-100.6 145.6 -20.3 3.0 14.3 66 87 A P T 34>S+ 0 0 0 0, 0.0 5,-2.0 0, 0.0 6,-1.9 0.875 112.3 37.2 -35.8 -58.3 -21.1 3.6 10.6 67 88 A G T 345S+ 0 0 8 163,-0.3 164,-0.1 4,-0.2 168,-0.0 -0.304 115.9 52.4-104.3 46.5 -24.2 5.9 11.3 68 89 A L T <45S+ 0 0 9 -3,-1.1 -1,-0.2 -2,-0.2 61,-0.1 0.346 105.1 49.8-149.3 -23.6 -22.8 7.7 14.4 69 90 A L T <5S- 0 0 0 -4,-1.5 59,-0.2 56,-0.1 -2,-0.1 0.559 120.1-114.0 -85.2 -14.4 -19.5 8.9 13.0 70 91 A G T >5S+ 0 0 0 -4,-0.3 4,-0.9 -5,-0.3 -3,-0.2 0.770 81.8 126.1 86.7 30.4 -21.8 10.2 10.2 71 92 A I H > S+ 0 0 0 -6,-1.9 4,-2.8 2,-0.2 5,-0.2 0.933 107.8 51.3 -56.5 -49.8 -23.9 6.7 6.7 73 94 A S H > S+ 0 0 14 -7,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.865 109.7 50.8 -59.1 -38.1 -25.3 10.2 6.4 74 95 A G H X S+ 0 0 6 -4,-0.9 4,-1.8 2,-0.2 -1,-0.2 0.917 110.6 48.1 -64.6 -45.7 -22.5 11.1 4.0 75 96 A A H X S+ 0 0 0 -4,-2.4 4,-1.8 24,-0.3 -2,-0.2 0.929 113.4 48.0 -58.6 -47.8 -23.2 8.1 1.8 76 97 A A H X S+ 0 0 7 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.909 109.4 52.0 -59.5 -46.8 -26.9 8.9 1.8 77 98 A L H X S+ 0 0 57 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.837 107.6 53.1 -62.6 -33.4 -26.3 12.5 0.9 78 99 A C H X S+ 0 0 30 -4,-1.8 4,-0.9 2,-0.2 -1,-0.2 0.868 106.3 53.2 -67.8 -34.7 -24.2 11.4 -2.0 79 100 A V H >X S+ 0 0 4 -4,-1.8 4,-1.1 2,-0.2 3,-0.8 0.952 109.4 48.8 -58.9 -49.5 -27.1 9.2 -3.1 80 101 A G H 3X S+ 0 0 9 -4,-2.5 4,-2.4 1,-0.3 3,-0.4 0.869 108.2 53.4 -57.2 -40.6 -29.3 12.3 -3.0 81 102 A L H 3< S+ 0 0 107 -4,-2.0 4,-0.5 1,-0.2 -1,-0.3 0.680 107.6 52.3 -69.2 -18.6 -26.7 14.2 -5.0 82 103 A I H << S+ 0 0 75 -4,-0.9 -1,-0.2 -3,-0.8 -2,-0.2 0.646 112.7 44.7 -89.5 -14.3 -26.8 11.4 -7.6 83 104 A I H < S+ 0 0 59 -4,-1.1 -2,-0.2 -3,-0.4 -3,-0.1 0.810 105.1 57.5 -94.9 -33.1 -30.6 11.7 -7.8 84 105 A V < 0 0 98 -4,-2.4 -3,-0.1 -5,-0.1 -2,-0.1 0.845 360.0 360.0 -64.3 -30.4 -31.0 15.5 -8.0 85 106 A M 0 0 201 -4,-0.5 -2,-0.2 -5,-0.2 -3,-0.2 0.773 360.0 360.0-108.0 360.0 -28.7 15.3 -11.1 86 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 87 114 A L > 0 0 177 0, 0.0 4,-1.2 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -21.9 -25.6 0.8 -13.7 88 115 A A H > + 0 0 65 2,-0.2 4,-2.0 1,-0.2 3,-0.5 0.942 360.0 45.7 -69.5 -49.9 -28.1 3.1 -12.0 89 116 A L H > S+ 0 0 53 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.790 111.3 56.2 -59.0 -28.2 -27.8 0.9 -8.9 90 117 A Y H > S+ 0 0 110 2,-0.2 4,-2.7 1,-0.2 -1,-0.3 0.781 101.9 53.3 -74.2 -29.3 -24.1 1.3 -9.7 91 118 A S H X S+ 0 0 46 -4,-1.2 4,-1.9 -3,-0.5 -2,-0.2 0.871 112.2 46.2 -70.0 -35.4 -24.4 5.1 -9.6 92 119 A H H X S+ 0 0 53 -4,-2.0 4,-2.7 2,-0.2 5,-0.3 0.901 114.3 47.9 -68.8 -42.0 -25.9 4.6 -6.2 93 120 A M H X S+ 0 0 11 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.974 116.7 41.0 -61.2 -57.2 -23.2 2.2 -5.1 94 121 A V H X S+ 0 0 82 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.851 117.1 50.3 -64.1 -36.0 -20.3 4.3 -6.4 95 122 A G H X S+ 0 0 9 -4,-1.9 4,-2.5 -5,-0.2 5,-0.2 0.976 113.8 42.0 -63.9 -56.4 -21.9 7.5 -5.0 96 123 A A H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.783 114.3 53.8 -63.0 -28.9 -22.6 6.2 -1.5 97 124 A F H X S+ 0 0 58 -4,-2.1 4,-2.7 -5,-0.3 -1,-0.2 0.846 107.3 50.9 -73.5 -35.8 -19.2 4.6 -1.5 98 125 A I H X S+ 0 0 92 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.950 115.0 42.2 -62.6 -50.3 -17.6 7.9 -2.4 99 126 A G H X S+ 0 0 4 -4,-2.5 4,-2.5 -24,-0.2 5,-0.4 0.921 115.8 49.9 -61.9 -45.9 -19.5 9.6 0.5 100 127 A S H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.955 113.4 44.2 -56.4 -55.8 -18.8 6.8 2.8 101 128 A L H X S+ 0 0 50 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.836 113.3 53.5 -61.5 -35.4 -15.0 6.7 2.0 102 129 A A H X S+ 0 0 46 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.985 115.0 35.9 -64.8 -59.6 -14.8 10.5 2.3 103 130 A I H X S+ 0 0 23 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.882 116.6 56.3 -63.1 -35.3 -16.3 11.0 5.7 104 131 A S H X S+ 0 0 0 -4,-2.5 4,-2.1 -5,-0.4 -1,-0.2 0.888 106.8 49.8 -60.0 -40.2 -14.7 7.7 6.8 105 132 A T H X S+ 0 0 60 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.838 110.3 50.8 -70.6 -33.2 -11.3 9.2 5.8 106 133 A I H X S+ 0 0 69 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.974 112.7 44.2 -64.0 -55.3 -12.1 12.4 7.7 107 134 A I H X S+ 0 0 0 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.851 113.6 52.2 -59.9 -36.1 -13.0 10.5 10.9 108 135 A F H X S+ 0 0 23 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.942 108.9 49.6 -64.3 -48.1 -10.0 8.2 10.5 109 136 A T H X S+ 0 0 57 -4,-2.2 4,-2.4 1,-0.2 5,-0.4 0.933 112.7 47.7 -54.1 -47.3 -7.7 11.2 10.2 110 137 A L H X S+ 0 0 13 -4,-2.5 4,-0.7 1,-0.2 -1,-0.2 0.767 110.7 50.0 -70.6 -28.1 -9.1 12.8 13.3 111 138 A S H < S+ 0 0 14 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.819 116.6 41.8 -79.3 -32.6 -8.9 9.7 15.5 112 139 A R H < S+ 0 0 25 -4,-2.0 -2,-0.2 -5,-0.2 -3,-0.1 0.973 117.3 38.7 -76.0 -58.9 -5.3 9.1 14.5 113 140 A W H < S+ 0 0 192 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.1 0.852 109.8 60.4 -73.4 -35.1 -3.6 12.4 14.6 114 141 A G S < S- 0 0 18 -4,-0.7 2,-0.1 -5,-0.4 3,-0.1 -0.441 110.9 -77.6 -78.0 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55.2 -79.1 -35.6 -35.8 6.1 2.4 155 182 A S T 3< S+ 0 0 24 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.633 91.8 75.5 -73.1 -12.8 -32.9 7.9 4.2 156 183 A M T 34 S- 0 0 79 -4,-0.4 -1,-0.3 -5,-0.2 127,-0.2 0.607 121.7 -99.6 -68.6 -11.1 -34.8 7.2 7.4 157 184 A G T <4 + 0 0 0 -3,-1.6 126,-2.1 1,-0.2 125,-0.5 0.832 62.5 157.7 89.0 94.9 -33.6 3.6 6.9 158 185 A S < - 0 0 19 69,-2.1 3,-0.2 -4,-0.7 -1,-0.2 -0.998 40.3-160.0-149.0 148.6 -36.0 1.1 5.3 159 186 A L > + 0 0 1 -2,-0.3 3,-0.7 1,-0.1 -119,-0.1 -0.019 61.6 115.8-112.7 26.3 -36.1 -2.1 3.4 160 187 A G T 3 S+ 0 0 33 1,-0.3 2,-0.2 67,-0.1 -1,-0.1 0.681 73.2 57.7 -66.4 -17.5 -39.6 -1.6 2.0 161 188 A Q T 3 S+ 0 0 85 -3,-0.2 2,-0.5 65,-0.2 -1,-0.3 -0.358 73.7 154.2-111.8 51.0 -38.1 -1.5 -1.5 162 189 A A < + 0 0 8 -3,-0.7 2,-0.3 -2,-0.2 -125,-0.2 -0.704 11.1 163.7 -87.4 121.2 -36.4 -4.9 -1.6 163 190 A Q > - 0 0 118 -2,-0.5 4,-1.8 -127,-0.2 5,-0.1 -0.801 46.6-110.7-127.6 172.3 -35.9 -6.4 -5.1 164 191 A W H > S+ 0 0 103 -2,-0.3 4,-1.7 -132,-0.2 5,-0.1 0.807 112.2 50.5 -76.4 -31.4 -33.7 -9.2 -6.5 165 192 A S H > S+ 0 0 63 2,-0.2 4,-2.6 3,-0.2 5,-0.2 0.926 112.6 45.7 -73.7 -45.6 -31.3 -7.0 -8.5 166 193 A T H > S+ 0 0 22 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.981 115.1 47.8 -57.0 -57.3 -30.5 -4.6 -5.7 167 194 A L H X S+ 0 0 9 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.851 111.5 53.0 -52.2 -38.5 -30.0 -7.6 -3.3 168 195 A L H X S+ 0 0 118 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.960 113.2 39.7 -65.0 -51.7 -27.8 -9.2 -5.9 169 196 A V H X S+ 0 0 25 -4,-2.6 4,-1.5 2,-0.2 5,-0.2 0.952 116.8 51.2 -63.3 -48.3 -25.4 -6.3 -6.4 170 197 A A H >X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 3,-0.5 0.915 113.2 44.4 -53.0 -47.9 -25.4 -5.5 -2.7 171 198 A S H 3X S+ 0 0 28 -4,-2.4 4,-2.2 -5,-0.3 -1,-0.2 0.783 108.4 58.3 -73.2 -24.7 -24.6 -9.1 -1.8 172 199 A S H 3< S+ 0 0 63 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.736 114.6 37.5 -75.9 -22.3 -22.0 -9.3 -4.5 173 200 A L H S+ 0 0 67 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.836 113.4 53.6 -73.7 -27.5 -16.6 -11.0 -0.5 177 204 A T H X S+ 0 0 8 -4,-0.7 4,-1.5 2,-0.2 -2,-0.2 0.844 106.2 52.4 -73.2 -31.1 -15.8 -7.9 1.6 178 205 A C H X S+ 0 0 19 -4,-2.5 4,-0.8 2,-0.2 -1,-0.2 0.777 110.9 48.1 -71.8 -25.9 -17.0 -9.7 4.8 179 206 A I H X S+ 0 0 99 -4,-1.0 4,-1.4 -5,-0.3 -2,-0.2 0.853 110.2 51.4 -76.2 -36.1 -14.6 -12.5 3.9 180 207 A L H X S+ 0 0 85 -4,-1.9 4,-0.8 1,-0.2 -2,-0.2 0.784 106.3 54.9 -71.3 -26.0 -11.9 -9.9 3.3 181 208 A G H < S+ 0 0 0 -4,-1.5 -1,-0.2 1,-0.2 4,-0.2 0.810 106.3 53.3 -70.1 -31.9 -12.7 -8.5 6.7 182 209 A L H >< S+ 0 0 73 -4,-0.8 3,-0.7 1,-0.2 -2,-0.2 0.796 103.5 53.5 -77.2 -30.2 -12.1 -12.0 8.1 183 210 A L H >< S+ 0 0 112 -4,-1.4 3,-0.5 1,-0.2 4,-0.2 0.800 107.8 53.2 -72.5 -25.7 -8.7 -12.4 6.5 184 211 A Q T 3X S+ 0 0 24 -4,-0.8 4,-2.2 1,-0.2 3,-0.4 0.472 75.3 104.5 -86.6 -2.8 -7.6 -9.2 8.2 185 212 A A H <> S+ 0 0 2 -3,-0.7 4,-1.0 1,-0.2 64,-0.4 0.615 76.0 58.6 -57.7 -18.2 -8.7 -10.2 11.7 186 213 A R H <> S+ 0 0 171 -3,-0.5 4,-2.2 2,-0.2 3,-0.4 0.952 107.9 42.2 -75.0 -54.5 -5.0 -10.8 12.7 187 214 A Q H > S+ 0 0 56 -3,-0.4 4,-2.7 1,-0.2 -2,-0.2 0.892 110.9 59.4 -56.8 -40.1 -3.9 -7.2 11.9 188 215 A L H < S+ 0 0 0 -4,-2.2 4,-0.4 1,-0.2 -1,-0.2 0.857 107.3 45.8 -59.2 -36.9 -7.1 -6.0 13.6 189 216 A N H >< S+ 0 0 9 -4,-1.0 3,-1.2 -3,-0.4 4,-0.3 0.950 114.8 45.2 -69.0 -50.7 -6.0 -7.8 16.8 190 217 A L H >< S+ 0 0 24 -4,-2.2 3,-1.3 1,-0.3 4,-0.3 0.812 105.4 62.3 -65.5 -29.7 -2.4 -6.5 16.8 191 218 A L G >< S+ 0 0 1 -4,-2.7 3,-0.9 1,-0.3 -1,-0.3 0.702 87.9 74.0 -69.4 -18.5 -3.6 -3.0 15.9 192 219 A Q G < S+ 0 0 0 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.781 86.9 61.8 -63.0 -26.7 -5.4 -3.0 19.2 193 220 A L G < S- 0 0 7 -3,-1.3 756,-0.5 -4,-0.3 -1,-0.2 0.749 123.5 -86.0 -71.4 -23.1 -2.1 -2.5 21.0 194 221 A G <> - 0 0 0 -3,-0.9 4,-2.5 -4,-0.3 -1,-0.3 -0.465 37.8 -85.8 127.0 156.9 -1.5 0.8 19.3 195 222 A D H > S+ 0 0 27 2,-0.2 4,-2.0 1,-0.2 10,-0.1 0.933 126.7 39.4 -61.5 -49.3 0.0 1.8 16.0 196 223 A E H > S+ 0 0 16 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.950 114.9 53.2 -65.6 -51.1 3.6 1.9 17.1 197 224 A E H > S+ 0 0 11 1,-0.2 4,-0.8 2,-0.2 -2,-0.2 0.900 112.5 44.9 -50.2 -48.3 3.2 -1.2 19.3 198 225 A A H ><>S+ 0 0 0 -4,-2.5 5,-1.3 1,-0.2 3,-0.7 0.870 107.2 59.3 -65.9 -37.2 1.9 -3.1 16.3 199 226 A H H ><5S+ 0 0 61 -4,-2.0 3,-1.1 1,-0.3 -1,-0.2 0.871 102.6 54.0 -59.7 -35.1 4.6 -1.7 14.0 200 227 A Y H 3<5S+ 0 0 2 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.775 101.2 59.3 -69.8 -25.7 7.2 -3.3 16.3 201 228 A L T <<5S- 0 0 7 -4,-0.8 -1,-0.2 -3,-0.7 -2,-0.2 0.466 125.2 -97.3 -83.8 -1.0 5.5 -6.7 15.9 202 229 A G T < 5S+ 0 0 24 -3,-1.1 -3,-0.2 -4,-0.4 2,-0.1 0.146 77.0 143.3 107.1 -18.3 6.0 -6.7 12.2 203 230 A V < - 0 0 10 -5,-1.3 2,-1.5 1,-0.1 -1,-0.3 -0.357 54.5-132.4 -57.6 122.3 2.5 -5.5 11.3 204 231 A N > - 0 0 88 1,-0.2 4,-2.1 -2,-0.1 5,-0.2 -0.676 28.7-171.7 -73.7 94.5 2.5 -3.2 8.3 205 232 A V H > S+ 0 0 15 -2,-1.5 4,-2.3 1,-0.2 -1,-0.2 0.835 75.6 52.4 -66.8 -36.6 0.3 -0.7 10.1 206 233 A R H > S+ 0 0 213 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.957 111.0 46.8 -62.2 -52.6 -0.3 1.6 7.1 207 234 A Q H > S+ 0 0 83 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.927 113.9 47.9 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