==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-OCT-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 06-AUG-13 4M48 . COMPND 2 MOLECULE: TRANSPORTER; . SOURCE 2 ORGANISM_SCIENTIFIC: DROSOPHILA MELANOGASTER; . AUTHOR E.GOUAUX,A.PENMATSA,K.WANG . 961 4 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37832.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 699 72.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 173 18.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 62 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 100 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 318 33.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 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 4 2 2 2 3 2 2 2 2 1 0 6 2 0 1 0 0 0 0 0 0 0 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 1 2 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 0 0 PARALLEL BRIDGES PER LADDER . 2 5 4 2 5 8 2 0 2 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 . 3 1 4 1 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 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 25 A D 0 0 149 0, 0.0 2,-0.9 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 11.8 -26.4 -25.1 43.5 2 26 A E - 0 0 164 1,-0.0 2,-0.1 0, 0.0 66,-0.0 -0.717 360.0-165.4 -77.9 107.1 -30.0 -26.3 43.7 3 27 A R - 0 0 27 -2,-0.9 65,-0.0 1,-0.2 -1,-0.0 -0.248 26.0 -76.2 -90.7 176.9 -31.4 -24.3 46.5 4 28 A E - 0 0 83 -2,-0.1 2,-0.3 1,-0.0 -1,-0.2 -0.201 47.1-153.3 -68.0 165.4 -34.6 -24.6 48.6 5 29 A T - 0 0 64 264,-0.0 263,-0.2 0, 0.0 2,-0.1 -0.934 28.5 -79.2-139.5 161.2 -37.9 -23.6 47.1 6 30 A W - 0 0 13 261,-1.1 2,-1.1 -2,-0.3 3,-0.1 -0.402 35.0-134.6 -61.8 131.9 -41.4 -22.5 48.3 7 31 A S S S- 0 0 84 184,-0.2 2,-0.1 1,-0.2 -1,-0.1 -0.107 87.4 -5.4 -80.6 40.3 -43.5 -25.4 49.6 8 32 A G S >> S- 0 0 36 -2,-1.1 4,-1.0 1,-0.1 3,-0.5 -0.363 75.0-110.4 137.0 137.8 -46.4 -24.0 47.6 9 33 A K H >> S+ 0 0 71 1,-0.2 4,-2.3 2,-0.2 3,-0.8 0.940 110.9 62.0 -58.5 -55.1 -47.0 -20.8 45.6 10 34 A V H 3> S+ 0 0 66 1,-0.3 4,-3.6 2,-0.2 5,-0.3 0.783 98.2 60.9 -42.9 -36.6 -49.5 -19.2 48.0 11 35 A D H <> S+ 0 0 5 -3,-0.5 4,-1.9 2,-0.2 -1,-0.3 0.969 108.4 41.2 -54.7 -57.5 -46.7 -19.1 50.6 12 36 A F H S- 0 0 28 -2,-0.8 3,-1.0 231,-0.1 4,-0.4 -0.505 73.9 -59.0-133.9-155.6 -48.2 -2.7 56.2 23 47 A L T >> S+ 0 0 2 1,-0.3 4,-3.8 2,-0.2 3,-0.9 0.716 121.6 71.8 -69.6 -20.7 -49.3 0.2 58.4 24 48 A A H 3>>S+ 0 0 19 1,-0.3 5,-1.8 2,-0.2 4,-1.3 0.858 91.1 58.5 -61.6 -36.9 -48.5 2.7 55.6 25 49 A N H <45S+ 0 0 0 -3,-1.0 -1,-0.3 3,-0.2 -2,-0.2 0.753 118.7 32.2 -60.8 -25.7 -51.5 1.3 53.7 26 50 A V H <45S+ 0 0 6 -3,-0.9 -2,-0.2 -4,-0.4 -1,-0.2 0.858 126.8 33.7 -99.3 -47.9 -53.6 2.4 56.7 27 51 A W H <5S+ 0 0 34 -4,-3.8 291,-2.7 3,-0.1 -3,-0.2 0.291 128.0 27.2-101.9 11.3 -51.9 5.5 58.2 28 52 A R T X5S+ 0 0 64 -4,-1.3 4,-1.7 -5,-0.2 -3,-0.2 0.600 109.6 55.6-134.9 -48.2 -50.6 7.2 55.1 29 53 A F H > S+ 0 0 1 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.837 111.8 54.1 -61.9 -30.1 -56.0 7.5 53.0 31 55 A Y H > S+ 0 0 56 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.890 107.1 50.8 -65.9 -39.4 -54.6 10.7 54.4 32 56 A L H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.836 108.8 50.9 -69.9 -33.9 -52.9 11.5 51.1 33 57 A C H <>S+ 0 0 0 -4,-1.9 5,-2.7 2,-0.2 8,-0.2 0.957 114.2 45.6 -62.4 -52.5 -56.2 11.0 49.2 34 58 A Y H ><5S+ 0 0 56 -4,-2.1 3,-0.9 1,-0.2 -2,-0.2 0.942 116.2 43.6 -53.6 -56.2 -57.9 13.3 51.7 35 59 A K H 3<5S+ 0 0 104 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.847 116.0 49.0 -60.5 -37.1 -55.2 16.0 51.6 36 60 A N T 3<5S- 0 0 12 -4,-2.0 -1,-0.2 -5,-0.2 197,-0.2 -0.225 130.4 -66.8-110.6 43.9 -54.8 15.9 47.8 37 61 A G T X 5 - 0 0 9 -3,-0.9 3,-2.0 3,-0.1 196,-1.3 0.677 62.5-117.7 93.0 19.1 -58.2 16.1 46.3 38 62 A G G > S+ 0 0 21 1,-0.3 3,-1.3 2,-0.2 -1,-0.3 0.787 124.6 65.4 -55.6 -29.8 -60.9 10.7 44.3 40 64 A A G X S+ 0 0 0 -3,-2.0 3,-1.6 1,-0.3 -1,-0.3 0.795 88.5 66.9 -65.0 -28.5 -58.8 13.0 42.1 41 65 A F G <> S+ 0 0 0 -3,-1.8 4,-2.0 1,-0.3 -1,-0.3 0.735 84.1 74.6 -65.3 -20.8 -55.7 11.9 43.9 42 66 A L H <> S+ 0 0 59 -3,-1.3 4,-2.1 -4,-0.4 -1,-0.3 0.695 88.8 62.1 -65.0 -19.1 -56.2 8.4 42.4 43 67 A V H <> S+ 0 0 59 -3,-1.6 4,-2.7 -4,-0.2 5,-0.3 0.980 108.5 34.3 -75.0 -58.8 -55.1 9.7 39.1 44 68 A P H > S+ 0 0 0 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.899 120.8 53.7 -64.9 -32.0 -51.5 10.8 39.8 45 69 A Y H X S+ 0 0 11 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.930 111.5 44.3 -60.5 -48.4 -51.4 7.8 42.2 46 70 A G H X S+ 0 0 31 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.923 115.5 46.6 -62.6 -47.2 -52.5 5.4 39.5 47 71 A I H X S+ 0 0 76 -4,-2.7 4,-2.0 2,-0.2 5,-0.3 0.924 114.2 47.2 -64.1 -44.9 -50.2 6.9 36.8 48 72 A M H X>S+ 0 0 25 -4,-2.8 4,-1.8 -5,-0.3 5,-1.4 0.872 114.2 49.2 -62.9 -35.4 -47.2 6.8 39.2 49 73 A L H <>S+ 0 0 21 -4,-2.1 5,-1.9 -5,-0.2 -2,-0.2 0.868 112.0 48.9 -68.4 -36.6 -48.2 3.3 40.1 50 74 A A H <5S+ 0 0 37 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.792 126.2 23.1 -75.5 -31.3 -48.4 2.3 36.5 51 75 A V H <5S+ 0 0 32 -4,-2.0 -2,-0.2 -5,-0.1 -3,-0.2 0.523 133.0 27.4-115.8 -10.4 -45.1 3.8 35.3 52 76 A G T X5S+ 0 0 0 -4,-1.8 4,-1.5 -5,-0.3 -3,-0.2 0.760 119.9 31.4-115.5 -68.9 -43.0 3.9 38.5 53 77 A G H > S+ 0 0 0 0, 0.0 4,-3.2 0, 0.0 -1,-0.2 0.952 116.2 41.7 -60.3 -44.5 -42.2 -1.7 36.8 56 80 A L H X S+ 0 0 0 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.856 113.9 52.8 -66.2 -37.1 -39.6 -1.6 39.7 57 81 A F H X S+ 0 0 0 -4,-2.9 4,-1.6 2,-0.2 -1,-0.2 0.963 113.9 43.3 -60.0 -54.6 -41.7 -4.1 41.7 58 82 A Y H X S+ 0 0 1 -4,-3.1 4,-2.6 1,-0.2 3,-0.4 0.952 109.9 57.3 -49.6 -62.6 -41.7 -6.4 38.7 59 83 A M H X S+ 0 0 1 -4,-3.2 4,-2.7 1,-0.3 -1,-0.2 0.837 108.8 43.8 -40.3 -52.8 -37.9 -5.8 37.9 60 84 A E H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -1,-0.3 0.866 112.0 53.6 -68.3 -36.3 -36.7 -6.9 41.4 61 85 A L H X S+ 0 0 0 -4,-1.6 4,-2.5 -3,-0.4 -2,-0.2 0.917 112.4 44.0 -64.5 -41.7 -39.0 -9.9 41.4 62 86 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.920 111.1 53.8 -68.5 -44.3 -37.7 -11.1 38.1 63 87 A L H X S+ 0 0 0 -4,-2.7 4,-1.8 -5,-0.3 -1,-0.2 0.851 111.8 48.3 -54.7 -36.2 -34.1 -10.4 39.2 64 88 A G H X S+ 0 0 0 -4,-2.0 4,-1.6 2,-0.2 5,-0.3 0.972 113.2 42.6 -68.9 -56.8 -34.8 -12.6 42.2 65 89 A Q H < S+ 0 0 0 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.825 118.1 48.8 -61.7 -32.5 -36.4 -15.5 40.4 66 90 A H H < S+ 0 0 12 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.954 115.3 37.1 -73.7 -53.2 -33.7 -15.4 37.7 67 91 A N H < S- 0 0 26 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.616 86.0-148.0 -83.5 -13.1 -30.5 -15.2 39.6 68 92 A R < + 0 0 54 -4,-1.6 2,-0.3 1,-0.2 -3,-0.1 0.678 62.5 101.9 58.2 20.3 -31.5 -17.5 42.5 69 93 A K S S- 0 0 20 -5,-0.3 -1,-0.2 1,-0.1 -2,-0.1 -0.897 73.2-102.7-133.1 161.1 -29.4 -15.5 45.0 70 94 A G > - 0 0 0 294,-0.5 4,-3.4 -2,-0.3 5,-0.3 -0.119 51.9 -80.2 -74.9 178.3 -29.8 -12.9 47.7 71 95 A A H > S+ 0 0 1 188,-0.4 4,-2.3 290,-0.4 5,-0.3 0.856 124.1 44.1 -48.7 -55.4 -29.1 -9.2 47.3 72 96 A I H > S+ 0 0 1 14,-0.4 4,-1.6 1,-0.2 14,-0.3 0.945 122.2 37.4 -60.8 -50.4 -25.3 -9.1 47.8 73 97 A T H > S+ 0 0 11 292,-0.5 4,-2.3 2,-0.2 5,-0.2 0.895 115.4 54.2 -69.8 -41.8 -24.6 -12.1 45.6 74 98 A C H X S+ 0 0 0 -4,-3.4 4,-3.0 2,-0.2 -2,-0.2 0.960 113.4 39.9 -58.7 -55.0 -27.2 -11.3 43.0 75 99 A W H X S+ 0 0 1 -4,-2.3 4,-3.0 -5,-0.3 7,-0.2 0.847 113.0 57.4 -65.0 -34.2 -26.0 -7.7 42.3 76 100 A G H < S+ 0 0 10 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.888 113.5 38.9 -60.0 -41.6 -22.4 -8.9 42.5 77 101 A R H < S+ 0 0 47 -4,-2.3 453,-2.1 -3,-0.2 -2,-0.2 0.862 115.0 52.8 -77.1 -40.4 -23.2 -11.4 39.7 78 102 A L H < S- 0 0 2 -4,-3.0 -2,-0.2 1,-0.3 -3,-0.2 0.976 136.6 -2.9 -58.6 -56.6 -25.4 -9.0 37.8 79 103 A V < - 0 0 1 -4,-3.0 -1,-0.3 -5,-0.2 3,-0.1 -0.904 60.7-160.4-139.8 112.3 -22.7 -6.4 37.8 80 104 A P S > S+ 0 0 21 0, 0.0 3,-0.9 0, 0.0 447,-0.2 0.823 94.1 56.2 -57.3 -33.7 -19.4 -7.0 39.7 81 105 A L T 3 S+ 0 0 24 445,-2.2 3,-0.5 1,-0.2 430,-0.2 0.929 110.7 40.9 -65.6 -47.7 -18.7 -3.2 39.8 82 106 A F T > S+ 0 0 42 444,-0.3 3,-1.1 -7,-0.2 4,-0.4 -0.135 75.6 120.6 -96.6 39.4 -22.0 -2.3 41.5 83 107 A K T X> + 0 0 29 -3,-0.9 3,-1.4 1,-0.2 4,-0.9 0.811 61.0 73.6 -69.7 -28.8 -21.9 -5.2 43.9 84 108 A G H 3> S+ 0 0 1 -3,-0.5 4,-3.2 420,-0.3 -1,-0.2 0.659 80.3 73.6 -61.6 -18.0 -21.9 -2.8 46.8 85 109 A I H <> S+ 0 0 0 -3,-1.1 4,-2.6 2,-0.2 -1,-0.3 0.928 93.4 53.3 -56.0 -48.1 -25.6 -2.1 46.0 86 110 A G H <> S+ 0 0 0 -3,-1.4 4,-2.1 -4,-0.4 -14,-0.4 0.894 111.7 45.0 -53.5 -42.9 -26.3 -5.5 47.5 87 111 A Y H X S+ 0 0 65 -4,-0.9 4,-2.3 2,-0.2 5,-0.3 0.929 110.7 53.3 -68.2 -44.7 -24.4 -4.4 50.7 88 112 A A H X S+ 0 0 0 -4,-3.2 4,-1.2 1,-0.2 -2,-0.2 0.851 111.2 47.1 -58.0 -37.3 -26.2 -1.0 50.7 89 113 A V H X S+ 0 0 3 -4,-2.6 4,-2.3 2,-0.2 5,-0.2 0.939 109.9 52.9 -71.1 -45.8 -29.5 -2.8 50.6 90 114 A V H X S+ 0 0 10 -4,-2.1 4,-1.5 1,-0.2 -2,-0.2 0.894 110.2 45.5 -58.2 -45.6 -28.7 -5.3 53.3 91 115 A L H X S+ 0 0 61 -4,-2.3 4,-3.2 2,-0.2 -1,-0.2 0.842 109.0 56.2 -72.5 -29.5 -27.6 -2.7 55.9 92 116 A I H X S+ 0 0 9 -4,-1.2 4,-2.6 -5,-0.3 -2,-0.2 0.950 109.9 45.8 -61.6 -47.1 -30.6 -0.5 55.2 93 117 A A H X S+ 0 0 11 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.840 112.8 53.6 -58.5 -34.6 -32.8 -3.5 56.0 94 118 A F H < S+ 0 0 40 -4,-1.5 4,-0.4 -5,-0.2 -2,-0.2 0.906 109.4 45.3 -69.8 -42.9 -30.5 -3.9 58.9 95 119 A Y H >X S+ 0 0 47 -4,-3.2 3,-1.7 1,-0.2 4,-0.6 0.915 108.8 55.5 -66.3 -44.4 -31.0 -0.4 60.2 96 120 A V H >X S+ 0 0 31 -4,-2.6 4,-3.2 1,-0.3 3,-1.4 0.865 96.9 65.0 -59.7 -35.8 -34.8 -0.4 59.7 97 121 A D H 3< S+ 0 0 4 -4,-1.3 4,-0.4 1,-0.3 -1,-0.3 0.714 93.8 63.2 -61.0 -19.8 -35.1 -3.5 61.9 98 122 A F H <4 S+ 0 0 27 -3,-1.7 -1,-0.3 -4,-0.4 -2,-0.2 0.808 122.1 13.7 -74.6 -29.5 -33.8 -1.4 64.9 99 123 A Y H X< S+ 0 0 19 -3,-1.4 3,-0.8 -4,-0.6 4,-0.5 0.716 114.0 68.1-117.9 -32.3 -36.8 0.9 64.8 100 124 A Y T >X S+ 0 0 32 -4,-3.2 3,-1.3 1,-0.2 4,-0.7 0.877 96.2 58.3 -61.2 -38.8 -39.6 -0.6 62.7 101 125 A N H 3> S+ 0 0 0 -4,-0.4 4,-1.6 -5,-0.4 3,-0.3 0.742 90.7 69.1 -66.5 -24.3 -40.2 -3.4 65.1 102 126 A V H <> S+ 0 0 1 -3,-0.8 4,-2.0 1,-0.2 -1,-0.3 0.750 91.4 62.4 -68.7 -21.0 -41.0 -1.1 68.0 103 127 A I H <> S+ 0 0 5 -3,-1.3 4,-1.6 -4,-0.5 -1,-0.2 0.904 104.4 46.4 -67.8 -41.3 -44.2 -0.1 66.2 104 128 A I H X S+ 0 0 1 -4,-0.7 4,-2.2 -3,-0.3 -2,-0.2 0.848 108.3 58.3 -65.0 -33.9 -45.3 -3.7 66.5 105 129 A A H X S+ 0 0 0 -4,-1.6 4,-1.6 1,-0.2 -2,-0.2 0.902 106.1 47.4 -62.9 -41.7 -44.2 -3.5 70.1 106 130 A W H X S+ 0 0 6 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.833 108.2 57.7 -65.7 -34.0 -46.6 -0.7 70.7 107 131 A S H X S+ 0 0 0 -4,-1.6 4,-1.8 1,-0.2 -2,-0.2 0.953 107.4 44.4 -63.0 -51.1 -49.4 -2.6 68.9 108 132 A L H X S+ 0 0 12 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.870 108.8 59.7 -61.5 -37.6 -49.2 -5.6 71.3 109 133 A R H X S+ 0 0 30 -4,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.919 108.5 42.5 -57.0 -48.5 -49.1 -3.2 74.2 110 134 A F H X S+ 0 0 0 -4,-1.9 4,-1.0 2,-0.2 -1,-0.2 0.823 111.6 56.8 -67.0 -31.9 -52.4 -1.7 73.3 111 135 A F H < S+ 0 0 37 -4,-1.8 3,-0.4 1,-0.2 -2,-0.2 0.911 110.7 43.0 -64.6 -41.4 -53.7 -5.2 72.6 112 136 A F H >< S+ 0 0 81 -4,-2.8 3,-0.9 1,-0.2 -2,-0.2 0.800 112.2 54.5 -72.5 -29.8 -52.7 -6.2 76.2 113 137 A A H 3< S+ 0 0 15 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.649 95.5 68.8 -77.2 -15.4 -54.2 -2.9 77.5 114 138 A S T 3< + 0 0 0 -4,-1.0 2,-1.3 -3,-0.4 -1,-0.2 0.290 66.8 101.7 -89.8 10.1 -57.5 -3.7 75.8 115 139 A F < + 0 0 129 -3,-0.9 2,-0.3 3,-0.0 -1,-0.2 -0.433 67.2 95.0 -87.1 59.9 -58.3 -6.6 78.2 116 140 A T S S- 0 0 40 -2,-1.3 3,-0.2 1,-0.1 221,-0.0 -0.970 78.9-127.1-148.4 159.3 -60.6 -4.4 80.1 117 141 A N S S+ 0 0 160 -2,-0.3 2,-0.4 1,-0.3 220,-0.2 0.703 107.6 35.6 -81.1 -23.9 -64.3 -3.5 80.4 118 142 A S S S- 0 0 82 218,-0.1 -1,-0.3 219,-0.0 -3,-0.0 -0.956 94.0-122.3-132.2 115.3 -63.5 0.2 80.1 119 143 A L > - 0 0 3 -2,-0.4 3,-1.2 -3,-0.2 4,-0.3 -0.329 19.0-132.4 -59.9 130.8 -60.6 1.2 77.8 120 144 A P T 3 S+ 0 0 32 0, 0.0 -1,-0.1 0, 0.0 -6,-0.1 0.432 97.5 63.5 -70.8 -1.3 -58.0 3.1 79.8 121 145 A W T 3 S+ 0 0 4 1,-0.1 27,-0.2 206,-0.1 28,-0.1 0.098 81.2 82.5-110.8 21.5 -57.7 5.9 77.3 122 146 A T S < S+ 0 0 57 -3,-1.2 22,-0.2 22,-0.1 23,-0.2 0.900 81.1 57.6 -88.2 -46.8 -61.2 7.3 77.4 123 147 A S - 0 0 51 -4,-0.3 3,-0.2 21,-0.1 11,-0.1 -0.318 58.4-149.5 -93.6 166.8 -61.2 9.6 80.5 124 148 A a S S+ 0 0 45 1,-0.1 9,-0.1 9,-0.1 -1,-0.1 0.273 82.9 83.6-112.5 6.9 -59.3 12.7 81.5 125 149 A N + 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284 A L H < S+ 0 0 69 -4,-2.3 5,-0.2 1,-0.2 -2,-0.2 0.856 106.5 57.5 -74.5 -35.9 -70.2 1.9 57.7 218 285 A T H < S+ 0 0 89 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.720 88.8 97.7 -67.0 -21.4 -73.0 1.1 60.1 219 286 A L S >< S- 0 0 8 -4,-0.8 3,-1.5 -3,-0.2 2,-0.2 -0.442 87.3-104.1 -70.0 141.2 -71.9 4.0 62.2 220 287 A P T 3 S+ 0 0 69 0, 0.0 86,-0.3 0, 0.0 85,-0.2 -0.443 106.1 26.4 -66.2 132.7 -73.8 7.3 61.8 221 288 A G T 3> S+ 0 0 18 -2,-0.2 4,-1.3 84,-0.1 3,-0.4 0.408 81.9 124.1 93.7 -0.6 -71.9 9.9 59.8 222 289 A S H X> S+ 0 0 1 -3,-1.5 4,-1.8 1,-0.2 3,-0.7 0.918 71.2 53.0 -57.5 -46.5 -69.9 7.3 58.0 223 290 A F H 3> S+ 0 0 150 1,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.800 102.3 59.9 -63.2 -27.5 -70.9 8.6 54.6 224 291 A L H 3> S+ 0 0 53 -3,-0.4 4,-1.8 1,-0.2 -1,-0.3 0.878 105.5 48.6 -65.1 -36.7 -69.8 12.1 55.6 225 292 A G H - 0 0 89 -196,-1.3 3,-2.5 -197,-0.2 4,-0.2 -0.579 6.9-177.7-144.8 78.9 -60.8 18.0 43.4 234 301 A F G >> S+ 0 0 132 1,-0.3 3,-0.5 2,-0.2 4,-0.5 0.443 70.3 85.0 -67.9 2.5 -59.0 17.8 40.1 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44.4 245 312 A D H X S+ 0 0 5 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.875 114.0 51.6 -67.0 -37.7 -46.7 12.6 47.3 246 313 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.946 112.1 45.5 -62.3 -48.3 -48.2 10.1 44.9 247 314 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.924 114.2 47.5 -61.3 -47.3 -44.8 9.0 43.6 248 315 A T H X S+ 0 0 13 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.871 112.6 49.6 -64.5 -38.8 -43.3 8.7 47.1 249 316 A Q H X S+ 0 0 9 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.936 110.5 49.2 -67.3 -47.3 -46.3 6.7 48.4 250 317 A V H X S+ 0 0 0 -4,-2.4 4,-1.3 -5,-0.2 5,-0.2 0.914 113.7 47.7 -56.6 -45.9 -46.2 4.3 45.5 251 318 A F H >X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 3,-0.7 0.976 117.0 38.3 -62.6 -59.2 -42.5 3.7 45.9 252 319 A F H 3< S+ 0 0 79 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.770 114.0 56.6 -67.1 -25.3 -42.3 3.2 49.7 253 320 A S H 3< S+ 0 0 2 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.730 116.6 34.4 -78.8 -24.3 -45.6 1.2 49.8 254 321 A L H << S- 0 0 1 -4,-1.3 -2,-0.2 -3,-0.7 -1,-0.2 0.704 92.5-153.2 -95.5 -28.1 -44.4 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67.2 68.3 -69.5 -21.3 -43.3 -14.0 38.0 275 342 A Y H 3> S+ 0 0 58 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.921 100.5 45.9 -62.7 -45.9 -45.0 -11.5 35.8 276 343 A K H <> S+ 0 0 46 -3,-0.5 4,-2.7 1,-0.2 5,-0.2 0.885 111.7 54.8 -62.9 -37.1 -48.5 -12.5 36.9 277 344 A D H X S+ 0 0 9 -4,-1.3 4,-2.2 2,-0.2 5,-0.3 0.893 106.6 49.6 -63.3 -43.0 -47.1 -12.5 40.5 278 345 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.951 115.4 42.8 -61.9 -49.4 -46.0 -8.9 40.2 279 346 A L H X S+ 0 0 68 -4,-2.1 4,-2.2 2,-0.2 5,-0.2 0.941 115.0 48.0 -62.7 -50.9 -49.3 -7.7 38.8 280 347 A L H X S+ 0 0 86 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.931 115.5 44.5 -56.5 -51.0 -51.5 -9.6 41.2 281 348 A T H X S+ 0 0 1 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.919 110.7 53.2 -61.0 -49.2 -49.6 -8.5 44.3 282 349 A S H X S+ 0 0 0 -4,-2.3 4,-2.1 -5,-0.3 5,-0.2 0.906 111.5 46.9 -52.3 -48.1 -49.3 -4.9 43.2 283 350 A F H X S+ 0 0 144 -4,-2.2 4,-3.8 2,-0.2 5,-0.3 0.959 110.4 50.8 -61.3 -53.5 -53.0 -4.7 42.8 284 351 A I H X S+ 0 0 47 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.861 109.8 52.9 -53.6 -39.7 -53.8 -6.4 46.1 285 352 A N H X S+ 0 0 2 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.947 115.5 37.3 -61.0 -51.9 -51.5 -3.9 47.9 286 353 A S H X S+ 0 0 16 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.875 115.1 55.8 -69.8 -36.6 -53.1 -0.8 46.4 287 354 A A H X S+ 0 0 29 -4,-3.8 4,-2.4 -5,-0.2 -1,-0.2 0.865 105.9 52.5 -60.8 -36.0 -56.6 -2.4 46.7 288 355 A T H X S+ 0 0 4 -4,-2.0 4,-2.9 -5,-0.3 -1,-0.2 0.896 107.7 50.5 -68.3 -40.7 -55.9 -3.0 50.4 289 356 A S H X S+ 0 0 0 -4,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.921 110.5 50.0 -61.6 -45.1 -55.0 0.7 50.9 290 357 A F H X S+ 0 0 67 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.924 112.7 46.4 -59.3 -48.1 -58.2 1.7 49.2 291 358 A I H X S+ 0 0 69 -4,-2.4 4,-2.1 1,-0.2 3,-0.4 0.937 110.7 52.1 -58.3 -48.7 -60.3 -0.6 51.4 292 359 A A H X S+ 0 0 0 -4,-2.9 4,-2.9 1,-0.2 -1,-0.2 0.788 102.3 63.2 -61.1 -27.2 -58.4 0.6 54.5 293 360 A G H X S+ 0 0 0 -4,-1.6 4,-2.6 2,-0.2 -1,-0.2 0.924 104.9 42.8 -63.1 -48.0 -59.3 4.1 53.4 294 361 A F H X S+ 0 0 46 -4,-1.4 4,-2.2 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2,-0.2 -15,-0.1 -1,-0.1 -0.544 67.1 140.5 -75.7 84.7 -57.6 13.4 59.6 316 383 A T - 0 0 56 -2,-1.9 2,-0.3 2,-0.1 -285,-0.1 -0.489 42.4-127.5-117.0-173.5 -54.0 12.7 60.5 317 384 A E > + 0 0 77 -2,-0.2 3,-0.6 -286,-0.1 -289,-0.2 -0.912 58.4 15.0-134.6 161.2 -51.2 10.4 59.4 318 385 A G T >> S- 0 0 12 -291,-2.7 3,-2.2 -2,-0.3 4,-0.8 -0.205 114.3 -24.8 75.9-165.5 -48.7 8.0 61.0 319 386 A P H 3> S+ 0 0 29 0, 0.0 4,-2.3 0, 0.0 5,-0.4 0.732 127.4 70.9 -57.2 -26.1 -48.9 6.4 64.5 320 387 A G H <>>S+ 0 0 30 -3,-0.6 5,-2.0 1,-0.2 4,-0.6 0.803 98.1 51.2 -59.2 -28.6 -50.9 9.3 65.7 321 388 A L H <4>S+ 0 0 5 -3,-2.2 5,-2.7 3,-0.2 -1,-0.2 0.886 119.3 30.0 -77.7 -39.9 -53.8 8.0 63.7 322 389 A V H <5S+ 0 0 1 -4,-0.8 -2,-0.2 3,-0.2 -1,-0.1 0.624 124.4 43.3-100.7 -15.2 -53.9 4.4 64.9 323 390 A F H <5S+ 0 0 1 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.1 0.599 133.8 9.4-102.0 -15.1 -52.6 4.8 68.4 324 391 A V T X5S+ 0 0 10 -4,-0.6 4,-1.6 -5,-0.4 -3,-0.2 0.662 126.5 41.5-127.3 -63.5 -54.6 7.9 69.4 325 392 A V H > S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.847 105.4 62.1 -61.2 -29.2 -58.8 4.0 69.4 328 395 A A H < S+ 0 0 13 -4,-1.6 -2,-0.2 1,-0.2 4,-0.2 0.882 108.9 40.0 -60.5 -40.2 -60.4 7.2 70.7 329 396 A A H >X S+ 0 0 0 -4,-1.2 3,-1.6 -3,-0.5 4,-0.7 0.866 109.7 60.1 -76.6 -37.8 -63.4 6.5 68.5 330 397 A I H >< S+ 0 0 1 -4,-2.3 3,-1.2 1,-0.3 -2,-0.2 0.905 99.3 58.1 -53.5 -43.8 -63.4 2.7 69.2 331 398 A A T 3< S+ 0 0 21 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.572 102.7 54.2 -67.6 -10.7 -63.9 3.4 72.9 332 399 A T T <4 S+ 0 0 52 -3,-1.6 -1,-0.3 -4,-0.2 -2,-0.2 0.618 94.3 80.5 -99.0 -15.5 -67.1 5.3 72.2 333 400 A M S X< S- 0 0 6 -3,-1.2 3,-0.7 -4,-0.7 6,-0.1 -0.607 91.5 -91.5 -95.5 152.4 -68.9 2.6 70.2 334 401 A P T 3 S+ 0 0 96 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.248 113.8 23.4 -58.7 151.2 -70.7 -0.5 71.7 335 402 A A T >> S+ 0 0 66 3,-0.1 4,-1.6 1,-0.1 3,-0.7 0.853 79.8 163.3 54.7 38.0 -68.6 -3.6 72.1 336 403 A S H <> + 0 0 21 -3,-0.7 4,-2.4 1,-0.3 5,-0.2 0.843 65.9 59.0 -53.4 -38.3 -65.7 -1.2 72.2 337 404 A T H 3> S+ 0 0 41 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.879 103.1 51.4 -62.1 -40.6 -63.5 -4.0 73.6 338 405 A F H <> S+ 0 0 108 -3,-0.7 4,-1.9 2,-0.2 5,-0.2 0.948 112.5 44.0 -63.5 -49.8 -64.0 -6.3 70.7 339 406 A W H X S+ 0 0 37 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.879 113.0 53.9 -63.0 -38.1 -63.1 -3.7 68.1 340 407 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.2 5,-0.3 0.953 107.9 48.3 -61.2 -51.8 -60.1 -2.6 70.1 341 408 A L H X S+ 0 0 38 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.880 116.4 41.6 -58.8 -42.0 -58.6 -6.0 70.4 342 409 A I H X S+ 0 0 21 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.843 111.2 55.8 -79.5 -30.8 -58.9 -6.8 66.7 343 410 A F H X S+ 0 0 0 -4,-2.2 4,-1.9 -5,-0.2 -2,-0.2 0.907 113.7 40.9 -64.1 -42.8 -57.8 -3.4 65.6 344 411 A F H X S+ 0 0 0 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.925 113.2 52.5 -72.8 -44.2 -54.6 -3.7 67.6 345 412 A M H X S+ 0 0 37 -4,-2.1 4,-2.2 -5,-0.3 -2,-0.2 0.850 109.0 56.1 -56.6 -32.9 -54.1 -7.3 66.6 346 413 A M H X S+ 0 0 2 -4,-1.9 4,-2.7 2,-0.2 5,-0.2 0.984 107.1 42.0 -64.0 -63.1 -54.5 -6.1 63.0 347 414 A L H X 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515 A P - 0 0 9 0, 0.0 -7,-0.1 0, 0.0 -11,-0.0 -0.384 46.9-105.2 -65.6 147.2 -41.5 -7.9 28.4 449 516 A G > - 0 0 42 1,-0.1 4,-1.5 -2,-0.1 3,-0.2 -0.103 33.3-100.2 -66.0 170.7 -43.4 -5.5 26.2 450 517 A R H > S+ 0 0 76 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.799 120.3 66.5 -64.2 -26.7 -41.9 -2.2 25.0 451 518 A Y H > S+ 0 0 111 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.945 102.9 42.1 -57.5 -53.7 -43.9 -0.5 27.8 452 519 A W H > S+ 0 0 30 -3,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.847 114.5 52.7 -64.8 -35.0 -41.9 -2.2 30.6 453 520 A Q H X S+ 0 0 52 -4,-1.5 4,-1.8 2,-0.2 5,-0.2 0.926 110.2 45.9 -68.9 -45.9 -38.6 -1.7 28.8 454 521 A V H X>S+ 0 0 74 -4,-2.6 4,-2.8 1,-0.2 5,-1.4 0.894 114.7 50.6 -61.8 -39.3 -39.1 2.1 28.3 455 522 A C H <>S+ 0 0 4 -4,-2.1 5,-3.6 -5,-0.2 -2,-0.2 0.941 110.7 46.5 -63.7 -49.3 -40.3 2.3 31.9 456 523 A W H <5S+ 0 0 1 -4,-2.7 -28,-0.2 3,-0.2 -1,-0.2 0.830 122.2 37.0 -62.0 -33.1 -37.2 0.5 33.3 457 524 A R H <5S+ 0 0 58 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.897 135.7 7.1 -90.8 -45.5 -34.8 2.5 31.2 458 525 A F T X5S+ 0 0 107 -4,-2.8 4,-1.4 -5,-0.2 -3,-0.2 0.842 127.7 44.4-107.6 -51.2 -36.2 6.1 31.1 459 526 A V H > S+ 0 0 15 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.957 116.5 46.7 -63.2 -45.6 -34.7 6.8 36.9 462 529 A I H X S+ 0 0 117 -4,-1.4 4,-2.5 2,-0.2 -2,-0.2 0.875 113.0 52.7 -60.1 -37.6 -36.7 10.0 36.4 463 530 A F H X S+ 0 0 7 -4,-2.8 4,-1.1 2,-0.2 -1,-0.2 0.970 112.9 40.8 -59.0 -58.6 -39.2 8.6 38.8 464 531 A L H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.834 117.1 50.2 -61.6 -34.1 -36.7 7.8 41.5 465 532 A L H X S+ 0 0 88 -4,-2.6 4,-2.6 -5,-0.2 5,-0.3 0.889 103.9 57.5 -73.5 -39.7 -34.9 11.1 40.9 466 533 A F H X S+ 0 0 79 -4,-2.5 4,-0.8 -5,-0.2 -1,-0.2 0.766 113.0 43.3 -60.6 -26.0 -38.1 13.1 41.0 467 534 A I H X S+ 0 0 0 -4,-1.1 4,-2.5 2,-0.2 5,-0.2 0.905 110.7 50.3 -86.8 -47.6 -38.6 11.7 44.5 468 535 A T H X S+ 0 0 20 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.928 114.2 46.7 -56.7 -47.0 -35.0 12.0 45.9 469 536 A V H X S+ 0 0 81 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.913 111.3 54.2 -58.7 -42.2 -35.0 15.7 44.7 470 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