==== 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 HYDROLASE 05-MAR-10 3M1T . COMPND 2 MOLECULE: PUTATIVE PHOSPHOHYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SHEWANELLA AMAZONENSIS; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 269 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13017.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 196 72.9 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 . 4 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 151 56.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.2 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 1 0 0 1 3 3 1 3 2 0 0 1 1 0 0 0 0 0 1 0 0 0 0 0 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 0 A G > 0 0 37 0, 0.0 3,-1.5 0, 0.0 6,-0.2 0.000 360.0 360.0 360.0 173.9 45.2 21.4 27.4 2 1 A X T 3 + 0 0 20 1,-0.3 193,-0.0 5,-0.1 0, 0.0 0.702 360.0 43.8 -65.1 -19.3 47.6 23.6 25.4 3 2 A H T 3 S+ 0 0 162 4,-0.1 -1,-0.3 5,-0.0 2,-0.1 0.237 78.4 133.6-112.5 13.0 50.6 22.3 27.3 4 3 A S X> - 0 0 47 -3,-1.5 4,-2.7 1,-0.1 3,-0.5 -0.412 62.1-125.5 -64.2 139.8 49.7 18.6 27.3 5 4 A A H 3> S+ 0 0 70 1,-0.3 4,-1.6 2,-0.2 -1,-0.1 0.859 108.3 52.6 -55.8 -43.1 52.8 16.5 26.4 6 5 A A H 34 S+ 0 0 37 164,-0.2 -1,-0.3 2,-0.2 165,-0.1 0.872 112.6 45.1 -63.3 -36.6 51.1 14.7 23.6 7 6 A L H X4 S+ 0 0 0 -3,-0.5 3,-2.3 163,-0.3 4,-0.2 0.929 109.8 54.1 -72.0 -46.7 50.0 18.0 22.0 8 7 A L H >< S+ 0 0 63 -4,-2.7 3,-1.8 1,-0.3 4,-0.3 0.788 94.4 69.7 -62.9 -26.2 53.3 19.6 22.4 9 8 A Q T 3< S+ 0 0 119 -4,-1.6 -1,-0.3 1,-0.3 3,-0.2 0.623 94.9 58.7 -63.5 -14.4 55.0 16.7 20.6 10 9 A K T X> S+ 0 0 35 -3,-2.3 3,-1.9 1,-0.1 4,-0.8 0.547 76.5 94.2 -86.5 -9.2 53.2 18.1 17.5 11 10 A V G X4 S+ 0 0 72 -3,-1.8 3,-0.5 1,-0.3 -1,-0.1 0.832 87.7 43.4 -60.3 -38.1 54.8 21.5 17.5 12 11 A D G 34 S+ 0 0 138 -4,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.414 111.2 58.0 -88.4 4.8 57.7 20.7 15.1 13 12 A E G <4 S+ 0 0 122 -3,-1.9 -1,-0.2 2,-0.1 -2,-0.2 0.532 79.1 110.8-103.7 -11.1 55.4 18.9 12.8 14 13 A L S << S- 0 0 19 -4,-0.8 -3,-0.0 -3,-0.5 125,-0.0 -0.312 79.3 -93.8 -69.0 152.9 52.9 21.6 12.1 15 14 A P - 0 0 54 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.320 39.0-136.3 -65.1 144.9 52.8 23.1 8.7 16 15 A R - 0 0 230 -3,-0.1 3,-0.1 168,-0.0 168,-0.1 -0.846 10.5-126.4-105.8 136.2 54.9 26.2 8.1 17 16 A L - 0 0 28 -2,-0.4 72,-0.0 1,-0.1 2,-0.0 -0.566 33.7-103.4 -73.3 144.1 53.7 29.3 6.3 18 17 A P >> - 0 0 79 0, 0.0 4,-2.5 0, 0.0 3,-0.7 -0.384 37.1-109.7 -60.2 145.2 55.9 30.6 3.5 19 18 A K H 3> S+ 0 0 112 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.874 116.7 50.8 -45.8 -48.1 57.9 33.6 4.6 20 19 A A H 3> S+ 0 0 60 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.843 111.3 48.2 -68.6 -29.7 55.9 36.1 2.5 21 20 A I H <> S+ 0 0 23 -3,-0.7 4,-2.7 2,-0.2 5,-0.2 0.919 110.7 50.0 -73.8 -43.3 52.6 34.8 3.8 22 21 A A H X S+ 0 0 42 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.920 112.6 48.8 -55.1 -41.6 53.7 35.0 7.4 23 22 A E H X S+ 0 0 82 -4,-2.5 4,-2.4 -5,-0.3 -2,-0.2 0.917 110.2 51.0 -69.4 -40.5 54.9 38.6 6.7 24 23 A L H X S+ 0 0 5 -4,-2.0 4,-2.7 -5,-0.2 5,-0.2 0.914 110.0 48.5 -58.9 -45.5 51.5 39.4 5.1 25 24 A L H X S+ 0 0 5 -4,-2.7 4,-2.2 2,-0.2 5,-0.2 0.909 108.6 55.8 -63.2 -35.3 49.6 38.0 8.1 26 25 A D H X S+ 0 0 109 -4,-2.3 4,-0.9 -5,-0.2 -2,-0.2 0.959 111.1 44.7 -59.9 -51.3 52.0 40.1 10.3 27 26 A V H >< S+ 0 0 30 -4,-2.4 3,-0.7 1,-0.2 6,-0.3 0.942 118.0 40.3 -60.4 -50.6 51.0 43.2 8.4 28 27 A V H 3< S+ 0 0 3 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.650 111.6 56.1 -81.9 -13.0 47.2 42.6 8.3 29 28 A N H 3< S+ 0 0 59 -4,-2.2 2,-0.9 -5,-0.2 -1,-0.2 0.614 91.2 88.0 -82.5 -15.0 47.0 41.3 11.9 30 29 A N X< - 0 0 73 -4,-0.9 3,-2.6 -3,-0.7 -1,-0.1 -0.766 66.9-159.3 -88.1 104.1 48.6 44.6 13.0 31 30 A E T 3 S+ 0 0 103 -2,-0.9 -1,-0.1 1,-0.3 -4,-0.0 0.710 91.0 58.6 -56.6 -18.2 45.8 47.1 13.6 32 31 A D T 3 S+ 0 0 146 2,-0.0 -1,-0.3 -3,-0.0 2,-0.2 0.416 76.7 116.5 -96.2 3.8 48.4 49.9 13.2 33 32 A S < - 0 0 21 -3,-2.6 2,-0.1 -6,-0.3 -6,-0.0 -0.537 66.5-120.8 -66.0 140.2 49.5 48.9 9.6 34 33 A T > - 0 0 85 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.288 16.3-113.2 -77.4 161.3 48.7 51.5 7.1 35 34 A V H > S+ 0 0 71 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.896 120.5 53.2 -59.0 -42.3 46.5 51.1 4.0 36 35 A K H > S+ 0 0 142 2,-0.2 4,-3.3 1,-0.2 5,-0.3 0.910 107.3 50.8 -55.7 -47.4 49.7 51.6 1.9 37 36 A A H > S+ 0 0 35 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.913 114.2 42.7 -62.6 -45.5 51.5 48.8 3.8 38 37 A V H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.938 117.3 46.8 -66.4 -46.9 48.6 46.3 3.3 39 38 A S H X S+ 0 0 16 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.924 112.9 48.7 -62.5 -46.1 48.1 47.3 -0.4 40 39 A E H X S+ 0 0 108 -4,-3.3 4,-0.8 -5,-0.2 -1,-0.2 0.926 111.0 49.9 -61.0 -44.6 51.8 47.2 -1.2 41 40 A K H >< S+ 0 0 66 -4,-2.1 3,-0.9 -5,-0.3 -1,-0.2 0.926 113.4 46.1 -62.3 -44.0 52.3 43.8 0.4 42 41 A L H >< S+ 0 0 0 -4,-2.3 3,-2.7 1,-0.2 7,-0.3 0.845 98.0 71.6 -66.0 -35.2 49.3 42.3 -1.4 43 42 A S H 3< S+ 0 0 79 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.795 92.8 58.1 -54.1 -27.4 50.4 43.8 -4.8 44 43 A H T << S+ 0 0 156 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.485 103.2 55.1 -82.2 -3.0 53.2 41.2 -4.8 45 44 A D <> + 0 0 52 -3,-2.7 4,-2.7 1,-0.1 -1,-0.2 -0.719 59.1 168.5-130.4 79.4 50.8 38.3 -4.7 46 45 A P H > S+ 0 0 95 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.823 77.6 56.0 -62.9 -29.9 48.4 38.6 -7.5 47 46 A V H > S+ 0 0 99 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.948 111.9 40.7 -67.2 -49.9 47.1 35.1 -7.0 48 47 A L H > S+ 0 0 3 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.905 114.4 54.2 -63.4 -40.8 46.2 35.7 -3.4 49 48 A S H X S+ 0 0 14 -4,-2.7 4,-2.4 -7,-0.3 -2,-0.2 0.900 106.7 51.4 -57.9 -43.3 44.8 39.2 -4.3 50 49 A A H X S+ 0 0 41 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.882 109.5 50.6 -60.1 -40.9 42.5 37.6 -6.9 51 50 A R H X S+ 0 0 41 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.898 108.3 52.5 -64.5 -42.8 41.2 35.2 -4.3 52 51 A V H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.938 110.4 47.9 -56.6 -47.1 40.6 38.2 -1.9 53 52 A L H X S+ 0 0 23 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.872 107.6 54.4 -68.3 -35.0 38.6 39.9 -4.6 54 53 A R H < S+ 0 0 67 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.892 111.6 45.9 -61.3 -40.3 36.5 36.8 -5.4 55 54 A L H >< S+ 0 0 6 -4,-2.0 3,-1.3 1,-0.2 -2,-0.2 0.899 111.2 52.7 -66.0 -39.6 35.6 36.6 -1.8 56 55 A A H >< S+ 0 0 18 -4,-2.5 3,-0.5 1,-0.3 -2,-0.2 0.754 107.2 53.1 -69.0 -26.6 34.8 40.3 -1.7 57 56 A N T 3< S+ 0 0 56 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.384 81.8 88.9 -89.4 3.9 32.5 39.9 -4.7 58 57 A S T < 0 0 21 -3,-1.3 -1,-0.2 1,-0.2 -2,-0.1 0.574 360.0 360.0 -73.8 -6.7 30.4 37.1 -3.2 59 58 A A < 0 0 118 -3,-0.5 -1,-0.2 -4,-0.1 206,-0.0 -0.226 360.0 360.0 46.4 360.0 28.0 39.8 -1.6 60 ! 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 61 65 A E 0 0 199 0, 0.0 2,-0.2 0, 0.0 -4,-0.1 0.000 360.0 360.0 360.0 101.3 31.5 45.2 -7.6 62 66 A V + 0 0 9 -6,-0.1 3,-0.1 -9,-0.1 -5,-0.1 -0.502 360.0 175.3 -78.9 135.2 35.2 45.6 -6.7 63 67 A G + 0 0 53 -2,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.512 67.1 35.3-112.3 -14.2 37.9 44.9 -9.4 64 68 A T S > S- 0 0 66 1,-0.1 4,-2.5 -11,-0.1 -1,-0.1 -0.940 75.1-120.3-136.7 162.9 41.0 45.9 -7.5 65 69 A I H > S+ 0 0 19 -2,-0.3 4,-2.8 2,-0.2 5,-0.2 0.881 116.6 56.0 -65.1 -42.8 42.4 45.9 -3.9 66 70 A D H > S+ 0 0 114 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.910 110.4 48.1 -53.9 -41.8 42.7 49.7 -3.9 67 71 A D H >> S+ 0 0 80 2,-0.2 4,-3.3 1,-0.2 3,-0.6 0.948 109.2 50.4 -60.7 -56.1 39.0 49.6 -4.8 68 72 A A H 3X>S+ 0 0 0 -4,-2.5 4,-3.1 1,-0.2 5,-0.9 0.879 102.9 60.8 -54.1 -40.7 38.1 47.1 -2.0 69 73 A V H 3X5S+ 0 0 20 -4,-2.8 4,-0.7 1,-0.2 -1,-0.2 0.898 116.3 33.8 -55.0 -40.5 39.9 49.3 0.6 70 74 A V H <<5S+ 0 0 127 -4,-1.1 -2,-0.2 -3,-0.6 -1,-0.2 0.908 122.4 44.5 -80.9 -47.7 37.5 52.1 -0.3 71 75 A R H <5S+ 0 0 64 -4,-3.3 -3,-0.2 1,-0.2 -2,-0.2 0.892 130.9 20.3 -66.6 -39.8 34.3 50.0 -1.0 72 76 A L H <5S- 0 0 66 -4,-3.1 4,-0.4 -5,-0.2 -3,-0.2 0.661 102.9-122.8-107.2 -19.7 34.6 47.6 2.0 73 77 A G X< - 0 0 31 -5,-0.9 4,-2.0 -4,-0.7 -3,-0.1 0.055 29.8 -87.9 88.4 156.8 36.8 49.4 4.5 74 78 A X H > S+ 0 0 27 2,-0.2 4,-3.3 1,-0.2 5,-0.3 0.821 120.4 64.3 -74.4 -29.6 40.0 47.9 5.8 75 79 A Q H > S+ 0 0 55 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.953 112.1 39.4 -58.2 -45.1 38.6 46.0 8.8 76 80 A T H > S+ 0 0 50 -4,-0.4 4,-2.0 2,-0.2 -2,-0.2 0.927 114.5 53.1 -67.2 -45.2 36.7 43.9 6.2 77 81 A L H X S+ 0 0 1 -4,-2.0 4,-2.4 1,-0.2 5,-0.2 0.935 107.4 51.8 -56.9 -47.5 39.6 43.8 3.8 78 82 A R H X S+ 0 0 30 -4,-3.3 4,-2.6 1,-0.2 -1,-0.2 0.915 108.5 52.2 -55.1 -43.4 42.0 42.5 6.5 79 83 A T H X S+ 0 0 8 -4,-1.5 4,-2.3 -5,-0.3 -1,-0.2 0.898 109.8 47.0 -62.6 -42.5 39.6 39.8 7.3 80 84 A L H X S+ 0 0 13 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.821 110.3 53.7 -68.9 -33.0 39.4 38.6 3.7 81 85 A V H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.934 109.1 48.9 -64.5 -46.3 43.2 38.7 3.4 82 86 A I H X S+ 0 0 8 -4,-2.6 4,-2.6 -5,-0.2 -2,-0.2 0.945 112.9 47.5 -58.3 -51.8 43.5 36.5 6.4 83 87 A A H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.935 113.1 47.7 -53.4 -45.0 40.9 34.1 5.0 84 88 A S H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.893 112.7 49.3 -68.7 -37.0 42.5 34.0 1.6 85 89 A A H X S+ 0 0 3 -4,-2.7 4,-1.2 2,-0.2 -1,-0.2 0.930 112.4 46.8 -66.3 -46.9 46.0 33.4 3.2 86 90 A V H >X S+ 0 0 1 -4,-2.6 3,-0.7 -5,-0.2 4,-0.6 0.937 111.4 51.2 -60.7 -47.4 44.7 30.6 5.4 87 91 A V H >< S+ 0 0 16 -4,-2.7 3,-1.4 1,-0.3 -2,-0.2 0.924 109.9 51.2 -56.0 -43.2 42.8 28.9 2.5 88 92 A G H 3< S+ 0 0 49 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.736 105.8 54.3 -66.2 -27.9 46.0 29.0 0.4 89 93 A A H << S+ 0 0 29 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.534 92.2 88.5 -86.4 -4.9 48.1 27.4 3.2 90 94 A V << - 0 0 16 -3,-1.4 3,-0.1 -4,-0.6 -1,-0.1 -0.839 66.8-155.4-102.2 113.7 45.7 24.4 3.4 91 95 A P - 0 0 80 0, 0.0 -2,-0.1 0, 0.0 2,-0.0 -0.036 35.9 -71.3 -70.9 172.0 46.5 21.5 1.0 92 96 A K - 0 0 192 5,-0.0 2,-0.4 3,-0.0 5,-0.1 -0.374 49.9-157.8 -57.7 147.3 44.2 18.8 -0.4 93 97 A V > - 0 0 7 3,-0.4 3,-2.0 -3,-0.1 46,-0.0 -0.990 25.2-105.3-133.4 125.3 43.2 16.4 2.3 94 98 A E T 3 S+ 0 0 168 -2,-0.4 3,-0.1 1,-0.3 47,-0.0 -0.197 104.9 18.2 -49.6 135.3 42.0 12.9 1.4 95 99 A G T 3 S+ 0 0 73 1,-0.2 2,-0.4 46,-0.0 -1,-0.3 0.481 104.6 103.4 79.7 5.0 38.2 12.6 1.8 96 100 A F < - 0 0 59 -3,-2.0 2,-0.7 42,-0.0 -3,-0.4 -0.970 58.5-150.4-121.7 136.1 37.5 16.3 1.8 97 101 A D > - 0 0 89 -2,-0.4 4,-2.7 1,-0.1 3,-0.2 -0.917 16.9-152.6 -92.3 119.4 36.1 18.5 -0.8 98 102 A L H > S+ 0 0 38 -2,-0.7 4,-3.2 1,-0.2 5,-0.4 0.862 91.6 56.9 -67.9 -34.9 37.7 21.8 -0.0 99 103 A A H > S+ 0 0 37 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.911 114.1 41.6 -56.5 -41.8 34.8 23.9 -1.5 100 104 A D H > S+ 0 0 95 -3,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.908 115.4 50.1 -70.8 -44.4 32.4 22.1 0.9 101 105 A F H X S+ 0 0 15 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.956 117.3 39.5 -57.2 -55.5 34.9 22.3 3.8 102 106 A W H X S+ 0 0 4 -4,-3.2 4,-2.8 1,-0.2 5,-0.2 0.869 111.0 59.0 -68.8 -33.8 35.5 26.0 3.4 103 107 A G H X S+ 0 0 0 -4,-1.9 4,-2.1 -5,-0.4 -1,-0.2 0.930 108.9 44.6 -55.6 -48.3 31.9 26.7 2.6 104 108 A N H X S+ 0 0 62 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.927 112.3 52.6 -62.9 -42.3 30.9 25.2 6.0 105 109 A T H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.911 109.5 47.9 -59.9 -44.4 33.7 27.1 7.6 106 110 A F H X S+ 0 0 0 -4,-2.8 4,-3.1 2,-0.2 5,-0.2 0.882 108.0 55.9 -63.3 -38.2 32.5 30.4 6.1 107 111 A E H X S+ 0 0 13 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.957 111.1 44.6 -57.1 -48.5 28.9 29.7 7.2 108 112 A V H X S+ 0 0 0 -4,-2.6 4,-3.0 1,-0.2 -2,-0.2 0.923 113.3 51.0 -60.7 -47.1 30.2 29.3 10.7 109 113 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.912 109.8 49.3 -58.0 -43.4 32.3 32.5 10.4 110 114 A I H X S+ 0 0 12 -4,-3.1 4,-1.5 2,-0.2 -1,-0.2 0.920 112.2 48.3 -63.1 -42.7 29.4 34.5 9.1 111 115 A I H X S+ 0 0 8 -4,-2.2 4,-2.4 -5,-0.2 3,-0.4 0.954 110.2 51.6 -62.1 -47.3 27.2 33.3 11.9 112 116 A C H X S+ 0 0 1 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.895 105.5 55.8 -57.7 -42.6 29.9 34.1 14.5 113 117 A Q H X S+ 0 0 41 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.887 108.6 47.6 -55.9 -42.0 30.3 37.7 13.2 114 118 A E H X S+ 0 0 10 -4,-1.5 4,-1.8 -3,-0.4 -1,-0.2 0.892 110.2 51.8 -66.8 -43.1 26.6 38.3 13.7 115 119 A L H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.913 108.5 52.2 -59.2 -43.1 26.8 36.9 17.2 116 120 A A H X>S+ 0 0 0 -4,-2.6 5,-2.0 2,-0.2 4,-1.3 0.879 104.9 55.0 -60.0 -41.3 29.7 39.2 18.0 117 121 A K H <5S+ 0 0 118 -4,-1.7 3,-0.3 1,-0.2 -1,-0.2 0.925 111.8 44.9 -56.3 -44.7 27.7 42.2 16.8 118 122 A R H <5S+ 0 0 61 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.818 114.4 47.0 -68.5 -35.6 25.0 41.2 19.3 119 123 A L H <5S- 0 0 40 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.565 112.4-117.6 -82.4 -9.7 27.4 40.6 22.1 120 124 A G T <5S+ 0 0 69 -4,-1.3 -3,-0.2 -3,-0.3 2,-0.2 0.706 71.9 127.9 77.1 21.2 29.3 43.9 21.5 121 125 A T S - 0 0 105 -2,-0.2 4,-1.5 1,-0.2 3,-0.3 -0.510 40.2-154.4 -71.5 122.0 34.7 42.8 17.5 123 127 A P H > S+ 0 0 23 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.891 91.5 55.3 -69.7 -31.7 32.8 41.1 14.6 124 128 A E H > S+ 0 0 38 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.836 104.1 55.3 -69.5 -30.6 36.0 40.6 12.5 125 129 A E H > S+ 0 0 44 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.925 109.3 46.8 -64.9 -43.1 37.7 38.8 15.3 126 130 A A H X S+ 0 0 0 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.910 109.8 53.5 -66.7 -39.0 34.7 36.3 15.5 127 131 A F H X S+ 0 0 8 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.950 110.1 48.2 -58.5 -46.1 34.8 35.9 11.7 128 132 A T H X S+ 0 0 7 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.895 106.9 54.9 -64.3 -39.5 38.5 35.0 11.9 129 133 A C H X S+ 0 0 1 -4,-2.3 4,-1.1 1,-0.2 -1,-0.2 0.929 108.2 50.7 -57.4 -44.7 37.9 32.5 14.7 130 134 A G H >< S+ 0 0 0 -4,-2.2 3,-0.7 1,-0.2 4,-0.4 0.919 106.5 54.2 -57.0 -43.9 35.4 30.9 12.4 131 135 A I H 3< S+ 0 0 0 -4,-2.4 3,-0.3 1,-0.2 -1,-0.2 0.880 117.7 36.7 -57.0 -38.2 37.9 30.7 9.6 132 136 A L H >< S+ 0 0 5 -4,-2.0 3,-1.2 1,-0.2 4,-0.3 0.573 92.5 92.6 -89.1 -13.7 40.4 28.9 11.8 133 137 A H T << S+ 0 0 3 -4,-1.1 3,-0.2 -3,-0.7 -1,-0.2 0.737 89.6 34.7 -67.0 -28.6 38.1 26.8 13.9 134 138 A S T >> S+ 0 0 9 -4,-0.4 3,-1.1 -3,-0.3 4,-0.9 0.318 82.5 101.2-108.6 6.8 38.0 23.5 11.9 135 139 A I H <> S+ 0 0 5 -3,-1.2 4,-2.1 1,-0.3 -1,-0.2 0.839 73.1 67.4 -65.3 -28.1 41.6 23.3 10.5 136 140 A G H 3> S+ 0 0 0 -4,-0.3 4,-2.0 -3,-0.2 -1,-0.3 0.831 92.5 61.3 -59.3 -33.6 42.6 20.8 13.3 137 141 A E H <> S+ 0 0 66 -3,-1.1 4,-1.9 1,-0.2 -1,-0.2 0.953 108.2 43.7 -52.8 -51.7 40.2 18.3 11.6 138 142 A L H X S+ 0 0 6 -4,-0.9 4,-2.4 1,-0.2 -2,-0.2 0.891 109.3 55.8 -62.3 -40.9 42.4 18.5 8.5 139 143 A L H X S+ 0 0 29 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.874 106.9 50.5 -63.5 -41.2 45.6 18.4 10.4 140 144 A I H X S+ 0 0 4 -4,-2.0 4,-2.8 2,-0.2 8,-0.3 0.915 110.3 48.9 -63.6 -44.6 44.6 15.0 12.0 141 145 A V H < S+ 0 0 32 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.935 118.3 40.5 -60.1 -44.4 43.7 13.4 8.7 142 146 A N H < S+ 0 0 75 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.875 122.6 38.5 -73.3 -34.5 47.0 14.5 7.1 143 147 A G H < S+ 0 0 53 -4,-2.6 -3,-0.2 1,-0.2 -2,-0.2 0.805 131.7 22.5 -88.9 -28.0 49.2 13.8 10.1 144 148 A D X + 0 0 45 -4,-2.8 4,-3.0 -5,-0.2 5,-0.2 -0.549 69.5 163.8-137.4 65.0 47.7 10.6 11.3 145 149 A P H > S+ 0 0 84 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.874 76.3 47.2 -57.4 -43.4 45.8 9.1 8.4 146 150 A A H > S+ 0 0 74 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.945 114.8 45.6 -64.8 -49.6 45.4 5.6 9.8 147 151 A V H > S+ 0 0 37 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.913 110.6 55.0 -56.8 -45.1 44.2 6.8 13.2 148 152 A A H X S+ 0 0 9 -4,-3.0 4,-2.4 -8,-0.3 -1,-0.2 0.915 109.6 46.2 -57.7 -42.8 41.8 9.3 11.6 149 153 A A H X S+ 0 0 63 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.911 111.4 51.4 -65.5 -42.3 40.2 6.5 9.6 150 154 A T H X S+ 0 0 82 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.913 110.9 50.0 -60.0 -39.6 40.0 4.3 12.7 151 155 A I H X S+ 0 0 1 -4,-2.7 4,-2.9 2,-0.2 5,-0.2 0.936 108.5 51.4 -66.3 -45.7 38.3 7.2 14.5 152 156 A S H X S+ 0 0 51 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.906 108.4 51.7 -60.9 -36.5 35.8 7.8 11.7 153 157 A A H X S+ 0 0 61 -4,-2.4 4,-0.8 2,-0.2 -1,-0.2 0.925 111.6 46.7 -64.8 -41.3 34.8 4.1 11.7 154 158 A A H ><>S+ 0 0 25 -4,-1.9 5,-2.2 1,-0.2 3,-0.8 0.902 110.7 53.4 -65.0 -41.5 34.2 4.2 15.5 155 159 A V H ><5S+ 0 0 40 -4,-2.9 3,-2.1 1,-0.3 -2,-0.2 0.893 101.6 58.5 -62.1 -34.9 32.2 7.4 15.1 156 160 A A H 3<5S+ 0 0 84 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.789 105.7 51.1 -64.3 -24.9 30.1 5.7 12.5 157 161 A D T <<5S- 0 0 155 -3,-0.8 -1,-0.3 -4,-0.8 -2,-0.2 0.174 134.7 -87.4 -97.7 14.6 29.2 3.2 15.3 158 162 A G T < 5S+ 0 0 67 -3,-2.1 -3,-0.2 1,-0.3 -2,-0.1 0.426 79.4 140.3 102.8 -1.0 28.3 6.0 17.7 159 163 A A < - 0 0 36 -5,-2.2 2,-0.5 -8,-0.1 -1,-0.3 -0.393 58.9-105.7 -74.8 156.9 31.6 7.0 19.4 160 164 A D > - 0 0 79 1,-0.1 4,-2.6 -2,-0.1 5,-0.2 -0.725 23.0-146.0 -81.6 122.7 32.4 10.6 20.1 161 165 A R H > S+ 0 0 78 -2,-0.5 4,-2.5 2,-0.2 5,-0.2 0.903 95.8 48.5 -55.7 -48.0 35.0 11.9 17.7 162 166 A N H > S+ 0 0 30 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.928 113.0 47.6 -65.0 -39.6 36.7 14.3 20.2 163 167 A L H > S+ 0 0 107 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.897 110.8 52.4 -67.2 -41.5 36.9 11.6 22.9 164 168 A X H X S+ 0 0 31 -4,-2.6 4,-2.3 2,-0.2 5,-0.3 0.906 107.2 52.5 -57.5 -42.7 38.3 9.1 20.3 165 169 A E H X>S+ 0 0 6 -4,-2.5 4,-2.9 2,-0.2 5,-0.9 0.939 108.9 50.0 -59.5 -47.9 41.0 11.6 19.3 166 170 A K H X5S+ 0 0 87 -4,-2.2 4,-1.3 4,-0.2 -2,-0.2 0.919 111.3 49.7 -55.6 -42.1 42.0 12.0 22.9 167 171 A E H <5S+ 0 0 150 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.916 122.4 28.7 -61.7 -49.4 42.2 8.3 23.4 168 172 A L H <5S+ 0 0 84 -4,-2.3 -2,-0.2 -5,-0.1 -1,-0.2 0.709 136.8 23.6 -90.6 -23.7 44.3 7.5 20.4 169 173 A L H <5S- 0 0 26 -4,-2.9 -3,-0.2 2,-0.3 -2,-0.2 0.609 94.1-122.9-113.1 -26.0 46.3 10.7 20.0 170 174 A G S < - 0 0 16 -2,-0.3 4,-2.4 -3,-0.1 5,-0.2 -0.590 32.8 -97.1-117.3 176.9 41.7 16.5 20.0 173 177 A N H > S+ 0 0 13 1,-0.2 4,-2.0 2,-0.2 -37,-0.2 0.806 121.3 54.0 -64.7 -27.6 41.1 18.4 16.8 174 178 A A H > S+ 0 0 1 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.905 110.0 48.0 -70.3 -42.6 40.1 21.6 18.7 175 179 A E H > S+ 0 0 9 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.922 114.4 44.0 -66.4 -45.8 43.5 21.5 20.6 176 180 A I H X S+ 0 0 9 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.886 112.7 52.8 -72.9 -33.1 45.6 20.9 17.6 177 181 A G H X S+ 0 0 3 -4,-2.0 4,-2.3 -5,-0.2 -2,-0.2 0.895 111.1 47.7 -62.5 -39.5 43.7 23.6 15.6 178 182 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.904 109.5 52.5 -65.7 -43.3 44.4 26.0 18.5 179 183 A L H X S+ 0 0 3 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.896 109.3 50.0 -59.4 -41.4 48.1 25.0 18.5 180 184 A L H X S+ 0 0 5 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.929 110.6 49.3 -60.8 -51.1 48.2 25.7 14.7 181 185 A A H <>S+ 0 0 2 -4,-2.3 5,-2.5 1,-0.2 -2,-0.2 0.897 112.4 48.6 -57.5 -41.1 46.6 29.1 15.3 182 186 A Q H ><5S+ 0 0 96 -4,-2.6 3,-1.7 1,-0.2 -1,-0.2 0.936 111.6 48.8 -63.2 -46.2 49.1 29.8 18.0 183 187 A S H 3<5S+ 0 0 59 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.842 107.6 55.2 -62.9 -34.5 52.0 28.7 15.9 184 188 A W T 3<5S- 0 0 16 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.316 121.3-109.6 -85.5 8.6 50.8 30.9 13.0 185 189 A K T < 5 + 0 0 173 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.723 62.9 153.0 71.3 34.8 50.8 33.9 15.4 186 190 A F < - 0 0 12 -5,-2.5 -1,-0.2 -6,-0.2 5,-0.0 -0.436 53.4 -81.8 -80.0 161.8 47.1 34.6 15.9 187 191 A T >> - 0 0 68 -2,-0.1 4,-2.4 1,-0.1 3,-0.5 -0.261 31.2-115.4 -68.2 154.6 46.1 36.2 19.1 188 192 A P H 3> S+ 0 0 110 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.867 115.7 59.3 -56.2 -33.2 45.6 34.3 22.4 189 193 A H H 3> S+ 0 0 126 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.920 108.0 44.9 -58.5 -46.5 41.9 35.2 22.3 190 194 A L H <> S+ 0 0 12 -3,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.915 112.3 51.9 -60.6 -50.5 41.5 33.4 19.0 191 195 A V H X S+ 0 0 6 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.941 110.8 47.2 -53.7 -47.7 43.6 30.4 20.2 192 196 A K H X S+ 0 0 53 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.876 109.3 55.0 -67.9 -34.2 41.4 30.0 23.3 193 197 A G H < S+ 0 0 0 -4,-2.0 4,-0.4 -5,-0.2 -1,-0.2 0.955 111.9 43.3 -61.0 -48.8 38.2 30.3 21.2 194 198 A I H >< S+ 0 0 0 -4,-2.4 3,-1.2 1,-0.2 -2,-0.2 0.920 111.9 54.8 -59.4 -48.8 39.3 27.5 19.0 195 199 A Q H 3< S+ 0 0 38 -4,-2.5 3,-0.4 1,-0.2 -1,-0.2 0.873 115.4 36.2 -55.0 -42.3 40.5 25.4 21.9 196 200 A F T >< S+ 0 0 43 -4,-2.2 3,-1.7 1,-0.2 -1,-0.2 0.286 78.1 116.4-101.7 12.7 37.2 25.5 23.8 197 201 A Q T < S+ 0 0 2 -3,-1.2 -1,-0.2 -4,-0.4 -2,-0.1 0.685 83.1 41.5 -53.1 -31.7 34.8 25.3 20.9 198 202 A N T 3 S+ 0 0 45 -3,-0.4 -1,-0.3 -4,-0.2 -2,-0.1 0.538 128.5 29.0 -94.7 -6.4 33.4 21.9 22.0 199 203 A H X + 0 0 113 -3,-1.7 3,-1.8 1,-0.1 4,-0.3 -0.388 65.9 157.0-148.4 57.9 33.2 22.7 25.7 200 204 A P G > S+ 0 0 10 0, 0.0 3,-1.5 0, 0.0 7,-0.5 0.853 72.8 58.4 -62.1 -33.7 32.7 26.4 26.1 201 205 A K G 3 S+ 0 0 129 40,-0.3 5,-0.1 1,-0.3 41,-0.0 0.654 97.7 63.5 -72.0 -11.0 31.3 26.2 29.6 202 206 A S G < S+ 0 0 78 -3,-1.8 2,-0.3 -6,-0.2 -1,-0.3 0.441 78.8 105.4 -87.9 -4.4 34.5 24.5 30.9 203 207 A A < - 0 0 5 -3,-1.5 4,-0.0 -4,-0.3 -11,-0.0 -0.622 69.3-130.5 -76.0 135.2 36.7 27.5 30.1 204 208 A E S S+ 0 0 172 -2,-0.3 2,-0.2 1,-0.2 -2,-0.0 -0.962 99.8 21.1-132.2 113.2 37.8 29.5 33.2 205 209 A P S S- 0 0 83 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.685 116.6-104.3 -67.2 167.0 37.4 32.4 32.7 206 210 A Y - 0 0 75 -2,-0.2 2,-0.7 1,-0.1 -2,-0.1 -0.291 25.1-139.9 -60.6 139.7 34.7 31.9 30.0 207 211 A S > - 0 0 11 -7,-0.5 4,-2.0 1,-0.2 5,-0.2 -0.911 7.3-163.2-100.9 113.5 35.7 32.5 26.4 208 212 A K H > S+ 0 0 115 -2,-0.7 4,-2.9 1,-0.2 5,-0.2 0.893 92.1 56.5 -60.0 -39.1 33.0 34.3 24.4 209 213 A L H > S+ 0 0 10 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.907 106.0 48.9 -61.0 -40.6 34.6 33.2 21.2 210 214 A A H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.902 111.7 50.2 -64.2 -39.5 34.4 29.6 22.1 211 215 A G H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.893 110.7 49.4 -63.8 -44.5 30.7 30.1 23.0 212 216 A X H X S+ 0 0 1 -4,-2.9 4,-3.2 2,-0.2 5,-0.3 0.913 111.5 49.1 -59.0 -47.5 30.1 31.8 19.7 213 217 A L H X S+ 0 0 0 -4,-2.6 4,-3.1 2,-0.2 5,-0.3 0.946 110.5 50.5 -57.9 -46.5 31.9 28.9 17.9 214 218 A A H X S+ 0 0 20 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.935 116.2 41.5 -57.7 -46.4 29.8 26.3 19.8 215 219 A X H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.948 115.7 48.6 -65.0 -48.8 26.6 28.1 18.9 216 220 A A H X S+ 0 0 0 -4,-3.2 4,-2.7 1,-0.2 -2,-0.2 0.883 110.1 52.4 -64.0 -40.7 27.5 28.9 15.3 217 221 A K H X S+ 0 0 55 -4,-3.1 4,-2.3 -5,-0.3 -1,-0.2 0.893 110.7 46.8 -61.6 -42.9 28.6 25.3 14.6 218 222 A Q H X S+ 0 0 73 -4,-1.6 4,-2.4 -5,-0.3 -2,-0.2 0.896 112.6 50.2 -66.9 -39.5 25.4 23.8 15.9 219 223 A I H X S+ 0 0 2 -4,-2.4 4,-1.3 1,-0.2 -2,-0.2 0.940 114.2 44.4 -63.9 -46.0 23.4 26.3 13.8 220 224 A A H < S+ 0 0 26 -4,-2.7 4,-0.3 1,-0.2 -1,-0.2 0.898 116.7 46.4 -65.3 -43.1 25.3 25.5 10.7 221 225 A A H < S+ 0 0 60 -4,-2.3 3,-0.2 -5,-0.2 -1,-0.2 0.869 123.3 29.2 -67.6 -42.0 25.1 21.7 11.3 222 226 A D H >X S+ 0 0 49 -4,-2.4 3,-2.4 1,-0.2 4,-0.6 0.437 82.6 109.0-107.8 3.4 21.5 21.4 12.2 223 227 A W G >< S+ 0 0 16 -4,-1.3 3,-1.4 1,-0.3 -1,-0.2 0.863 81.5 50.9 -48.9 -47.6 19.9 24.2 10.2 224 228 A D G 34 S+ 0 0 146 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.549 102.5 61.1 -72.3 -6.4 18.2 21.9 7.7 225 229 A K G <4 S+ 0 0 141 -3,-2.4 -1,-0.2 2,-0.1 -2,-0.2 0.549 92.2 79.1 -91.4 -9.3 16.7 19.7 10.5 226 230 A I S << S- 0 0 41 -3,-1.4 5,-0.1 -4,-0.6 4,-0.1 -0.849 85.0-115.4-110.7 125.8 14.6 22.5 12.0 227 231 A P > - 0 0 60 0, 0.0 3,-2.1 0, 0.0 -2,-0.1 -0.248 27.9-119.3 -55.4 147.5 11.3 23.7 10.6 228 232 A D T 3 S+ 0 0 69 1,-0.3 3,-0.4 2,-0.1 28,-0.1 0.699 112.7 51.2 -64.9 -18.9 11.5 27.3 9.3 229 233 A D T 3 S+ 0 0 136 1,-0.2 -1,-0.3 2,-0.1 3,-0.0 0.174 105.9 54.0-101.9 14.2 8.8 28.4 11.8 230 234 A E S <> S+ 0 0 109 -3,-2.1 4,-0.8 2,-0.1 -1,-0.2 -0.024 73.6 107.6-134.0 29.1 10.4 26.9 15.0 231 235 A R H > + 0 0 48 -3,-0.4 4,-2.9 2,-0.2 5,-0.2 0.839 67.5 58.3 -84.1 -34.0 13.9 28.4 14.9 232 236 A T H > S+ 0 0 72 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.913 107.9 48.7 -66.4 -36.9 14.0 31.0 17.7 233 237 A S H > S+ 0 0 74 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.843 112.4 50.4 -68.2 -33.5 13.1 28.3 20.3 234 238 A W H X S+ 0 0 12 -4,-0.8 4,-2.0 2,-0.2 3,-0.3 0.950 110.8 47.6 -63.6 -48.9 15.9 26.2 18.8 235 239 A L H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.874 107.3 57.4 -59.9 -39.6 18.3 29.1 19.0 236 240 A A H X S+ 0 0 33 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.899 107.0 48.0 -57.6 -40.5 17.2 29.7 22.6 237 241 A Q H X S+ 0 0 130 -4,-1.5 4,-2.2 -3,-0.3 -1,-0.2 0.890 111.5 50.4 -69.2 -37.0 18.2 26.1 23.5 238 242 A I H X S+ 0 0 2 -4,-2.0 4,-3.1 1,-0.2 5,-0.3 0.904 103.1 59.0 -69.2 -41.1 21.6 26.6 21.8 239 243 A N H X>S+ 0 0 20 -4,-2.6 4,-1.5 1,-0.2 5,-1.1 0.911 110.7 44.1 -47.8 -47.6 22.2 29.8 23.7 240 244 A I H <5S+ 0 0 127 -4,-1.4 -2,-0.2 2,-0.2 -1,-0.2 0.889 111.8 50.2 -66.1 -48.4 21.9 27.7 26.9 241 245 A L H <5S+ 0 0 51 -4,-2.2 -40,-0.3 1,-0.2 -2,-0.2 0.923 118.2 41.1 -57.6 -43.4 24.1 24.8 25.7 242 246 A A H <5S- 0 0 2 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.738 98.2-136.5 -79.6 -25.5 26.8 27.2 24.6 243 247 A G T <5 + 0 0 31 -4,-1.5 -3,-0.2 -5,-0.3 -4,-0.1 0.590 64.8 124.4 82.6 17.0 26.6 29.6 27.6 244 248 A I < - 0 0 7 -5,-1.1 -4,-0.1 -6,-0.2 -5,-0.1 0.614 56.0-148.2 -96.6 -16.0 26.8 32.7 25.4 245 249 A K + 0 0 140 -6,-0.6 2,-0.5 1,-0.2 -5,-0.1 0.904 29.4 177.1 51.8 52.4 23.7 34.7 26.3 246 250 A V - 0 0 3 1,-0.1 -1,-0.2 -10,-0.1 -127,-0.1 -0.766 38.8-102.0 -97.9 132.9 23.1 36.3 22.9 247 251 A D - 0 0 102 -2,-0.5 -1,-0.1 -129,-0.2 -129,-0.1 -0.209 31.1-165.9 -46.9 118.6 20.2 38.6 22.1 248 252 A L >> + 0 0 44 2,-0.1 3,-1.8 3,-0.1 4,-0.6 0.468 45.8 123.0 -87.4 -9.9 17.7 36.4 20.2 249 253 A G T 34 S- 0 0 48 1,-0.3 -2,-0.0 2,-0.1 0, 0.0 -0.443 94.7 -12.2 -65.9 115.6 15.5 39.3 18.9 250 254 A G T 3> S+ 0 0 50 -2,-0.3 4,-2.2 1,-0.1 -1,-0.3 0.478 102.4 122.3 73.0 5.8 15.4 39.0 15.1 251 255 A L H <> + 0 0 0 -3,-1.8 4,-3.1 1,-0.2 5,-0.3 0.930 70.0 48.5 -70.6 -47.6 18.3 36.5 15.2 252 256 A A H X S+ 0 0 12 -4,-0.6 4,-2.2 2,-0.2 -1,-0.2 0.917 113.5 49.0 -55.5 -42.8 16.5 33.7 13.4 253 257 A E H > S+ 0 0 114 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.922 113.0 47.2 -64.1 -42.6 15.3 36.1 10.7 254 258 A K H X S+ 0 0 68 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.898 111.2 50.5 -65.6 -45.7 18.9 37.5 10.3 255 259 A L H X S+ 0 0 6 -4,-3.1 4,-1.4 1,-0.2 -1,-0.2 0.879 108.6 52.8 -61.9 -37.6 20.4 34.0 10.1 256 260 A A H < S+ 0 0 36 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.875 105.4 54.6 -64.7 -38.9 17.9 33.0 7.4 257 261 A K H < S+ 0 0 117 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.902 117.0 36.9 -60.0 -37.3 18.9 36.1 5.3 258 262 A X H >< S+ 0 0 24 -4,-1.6 3,-2.4 -5,-0.1 4,-0.4 0.591 84.1 125.8 -94.3 -11.4 22.6 35.0 5.4 259 263 A H T 3< S+ 0 0 86 -4,-1.4 -3,-0.0 1,-0.3 -152,-0.0 -0.250 79.5 15.5 -56.0 128.2 22.1 31.3 5.2 260 264 A G T 3> S+ 0 0 26 -157,-0.1 4,-2.1 -156,-0.1 -1,-0.3 0.192 91.2 106.8 95.4 -18.1 24.2 29.9 2.3 261 265 A Q H <> S+ 0 0 74 -3,-2.4 4,-1.4 2,-0.2 -2,-0.1 0.781 81.5 52.3 -63.3 -29.9 26.4 33.0 1.8 262 266 A G H > S+ 0 0 0 -4,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.916 107.1 50.7 -71.7 -43.5 29.2 31.0 3.4 263 267 A X H > S+ 0 0 65 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.882 109.7 51.5 -59.1 -38.6 28.7 28.1 1.0 264 268 A E H X S+ 0 0 78 -4,-2.1 4,-0.8 2,-0.2 -1,-0.2 0.857 108.1 51.8 -66.5 -38.4 28.8 30.6 -1.9 265 269 A X H >< S+ 0 0 18 -4,-1.4 3,-1.0 1,-0.2 4,-0.4 0.921 106.6 54.4 -61.8 -42.8 32.1 32.0 -0.5 266 270 A G H >< S+ 0 0 1 -4,-2.6 3,-1.1 1,-0.3 4,-0.4 0.873 105.0 53.3 -58.1 -39.1 33.5 28.5 -0.5 267 271 A K H 3< S+ 0 0 116 -4,-1.6 -1,-0.3 1,-0.2 3,-0.2 0.705 103.3 58.5 -69.3 -22.1 32.6 28.1 -4.2 268 272 A Q T << S+ 0 0 63 -3,-1.0 -1,-0.2 -4,-0.8 -2,-0.2 0.540 84.9 82.2 -83.3 -7.8 34.5 31.3 -5.0 269 273 A L < 0 0 15 -3,-1.1 -1,-0.2 -4,-0.4 -2,-0.1 0.915 360.0 360.0 -66.1 -43.4 37.8 30.0 -3.6 270 274 A A 0 0 141 -4,-0.4 0, 0.0 -3,-0.2 0, 0.0 -0.179 360.0 360.0 -66.7 360.0 39.0 28.0 -6.6