==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-DEC-00 1HO8 . COMPND 2 MOLECULE: VACUOLAR ATP SYNTHASE SUBUNIT H; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR M.SAGERMANN,T.H.STEVENS,B.W.MATTHEWS . 447 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20837.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 383 85.7 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 . 21 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 82 18.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 268 60.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.6 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 0 0 1 1 6 4 0 1 2 2 0 5 2 1 0 1 1 0 0 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 2 A G 0 0 123 0, 0.0 93,-0.0 0, 0.0 89,-0.0 0.000 360.0 360.0 360.0-109.5 2.9 53.9 44.1 2 3 A A - 0 0 25 91,-0.0 134,-0.3 133,-0.0 95,-0.0 -0.067 360.0 -60.3-146.9 35.9 5.3 56.7 43.1 3 4 A T - 0 0 84 1,-0.1 2,-0.6 132,-0.1 131,-0.0 0.914 42.7-174.0 82.7 99.7 8.9 55.5 43.8 4 5 A K - 0 0 52 84,-0.0 3,-0.5 0, 0.0 -1,-0.1 -0.818 22.2-164.2-120.4 85.0 10.3 54.4 47.1 5 6 A I + 0 0 11 -2,-0.6 126,-0.1 1,-0.2 167,-0.0 -0.367 62.5 21.1 -71.2 157.9 13.9 53.8 46.4 6 7 A L S S+ 0 0 7 -2,-0.1 -1,-0.2 1,-0.1 7,-0.1 0.868 74.2 149.1 54.5 45.9 16.3 51.9 48.6 7 8 A M + 0 0 66 -3,-0.5 -2,-0.1 1,-0.2 -1,-0.1 0.755 67.6 41.4 -80.4 -22.7 13.6 50.1 50.3 8 9 A D S S+ 0 0 142 4,-0.0 2,-0.3 5,-0.0 -1,-0.2 0.563 79.7 126.3-100.1 -12.3 15.3 46.9 51.1 9 10 A S > - 0 0 3 1,-0.2 4,-2.0 2,-0.1 5,-0.1 -0.295 35.8-176.2 -50.3 111.2 18.6 48.5 52.2 10 11 A T H > S+ 0 0 88 -2,-0.3 4,-2.9 2,-0.2 -1,-0.2 0.875 81.5 52.3 -79.4 -37.6 19.3 47.1 55.5 11 12 A H H > S+ 0 0 36 2,-0.2 4,-1.7 3,-0.2 -1,-0.2 0.746 113.5 45.7 -72.9 -21.4 22.4 49.2 56.1 12 13 A F H > S+ 0 0 1 2,-0.2 4,-3.7 3,-0.2 3,-0.4 0.963 111.4 49.5 -78.5 -59.0 20.4 52.2 55.3 13 14 A N H X S+ 0 0 65 -4,-2.0 4,-2.3 1,-0.3 -2,-0.2 0.866 113.6 50.2 -41.4 -43.7 17.6 51.2 57.4 14 15 A E H X S+ 0 0 99 -4,-2.9 4,-1.4 2,-0.2 -1,-0.3 0.905 109.2 48.3 -65.4 -44.7 20.3 50.6 60.0 15 16 A I H >X S+ 0 0 5 -4,-1.7 4,-0.7 -3,-0.4 3,-0.5 0.932 109.8 55.5 -60.2 -41.6 21.8 54.1 59.5 16 17 A R H >X S+ 0 0 10 -4,-3.7 4,-1.9 1,-0.2 3,-1.4 0.923 102.6 55.0 -55.0 -46.6 18.3 55.4 59.8 17 18 A S H 3X S+ 0 0 65 -4,-2.3 4,-0.7 1,-0.3 -1,-0.2 0.800 102.2 55.6 -57.7 -35.8 17.8 53.7 63.1 18 19 A I H + 0 0 50 -2,-0.4 4,-2.2 1,-0.2 5,-0.2 -0.749 26.7 174.1-103.1 79.8 12.9 68.0 72.7 26 27 A W H >> S+ 0 0 4 -2,-1.0 4,-1.8 1,-0.2 3,-1.1 0.941 72.6 56.2 -45.5 -85.8 11.1 70.4 70.4 27 28 A D H 3> S+ 0 0 70 1,-0.3 4,-4.0 2,-0.2 5,-0.3 0.671 109.7 47.0 -4.2 -71.7 8.9 72.0 72.9 28 29 A A H 3> S+ 0 0 27 1,-0.3 4,-6.2 2,-0.2 6,-0.3 0.964 112.3 49.7 -46.5 -60.5 11.9 73.0 75.0 29 30 A L H <<>S+ 0 0 22 -4,-2.2 5,-3.4 -3,-1.1 6,-1.3 0.850 116.8 43.1 -45.2 -42.5 13.8 74.2 72.0 30 31 A A H ><5S+ 0 0 12 -4,-1.8 3,-3.1 4,-0.2 5,-0.3 0.994 117.6 43.6 -63.9 -66.8 10.7 76.2 71.2 31 32 A R H 3<5S+ 0 0 182 -4,-4.0 -2,-0.2 1,-0.3 -3,-0.2 0.876 110.1 56.8 -42.7 -49.2 10.1 77.3 74.7 32 33 A S T 3<5S- 0 0 41 -4,-6.2 -1,-0.3 -5,-0.3 -2,-0.2 0.374 116.9-118.3 -69.4 6.6 13.9 78.0 75.0 33 34 A E T < 5S+ 0 0 185 -3,-3.1 -3,-0.2 -5,-0.3 -2,-0.2 0.694 84.5 122.2 61.0 20.4 13.3 80.3 72.0 34 35 A E S > - 0 0 47 -2,-0.3 4,-1.7 1,-0.2 3,-1.3 -0.873 27.2-133.9-105.9 116.1 9.6 78.7 66.5 37 38 A E H 3>>S+ 0 0 136 -2,-0.6 4,-3.7 1,-0.3 5,-1.0 0.876 102.9 68.9 -31.6 -66.0 6.8 76.6 67.8 38 39 A I H 3>5S+ 0 0 116 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.761 116.2 26.8 -16.8 -64.5 5.1 76.8 64.4 39 40 A D H <>5S+ 0 0 2 -3,-1.3 4,-2.6 2,-0.2 -1,-0.2 0.991 126.7 46.6 -58.0 -73.4 7.9 74.7 63.2 40 41 A A H X5S+ 0 0 0 -4,-1.7 4,-2.9 1,-0.3 5,-0.3 0.885 117.2 43.9 -40.3 -55.9 8.8 73.0 66.5 41 42 A S H X5S+ 0 0 57 -4,-3.7 4,-2.4 -5,-0.3 -1,-0.3 0.966 111.8 54.4 -60.4 -46.5 5.2 72.2 67.2 42 43 A T H XX S+ 0 0 40 -4,-2.4 4,-2.3 -5,-0.3 3,-1.2 0.949 111.8 47.2 -70.0 -52.3 3.5 66.5 65.8 46 47 A L H 3X S+ 0 0 2 -4,-1.9 4,-3.0 1,-0.3 6,-0.2 0.917 103.4 64.4 -53.9 -48.8 4.9 64.9 62.7 47 48 A E H 3X S+ 0 0 41 -4,-4.0 4,-1.7 1,-0.2 -1,-0.3 0.708 108.4 40.2 -49.5 -28.9 7.3 62.9 64.8 48 49 A S H <> S+ 0 0 47 -3,-1.2 4,-4.0 -4,-0.5 -1,-0.2 0.887 107.8 58.7 -88.3 -46.9 4.5 61.2 66.4 49 50 A I H < S+ 0 0 42 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.894 119.5 33.9 -46.2 -39.5 2.4 60.8 63.4 50 51 A L H < S+ 0 0 32 -4,-3.0 -1,-0.2 -5,-0.1 -2,-0.2 0.970 137.4 19.8 -80.0 -57.9 5.4 58.9 62.0 51 52 A V H < 0 0 100 -4,-1.7 -3,-0.2 -5,-0.2 -2,-0.2 0.625 360.0 360.0 -87.6 -20.9 6.8 57.1 65.1 52 53 A K < 0 0 170 -4,-4.0 -1,-0.2 -6,-0.2 -3,-0.1 -0.023 360.0 360.0 43.7 360.0 3.6 57.4 67.2 53 ! 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 54 71 A K 0 0 84 0, 0.0 5,-0.0 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 79.7 -1.8 64.5 57.9 55 72 A V - 0 0 105 1,-0.1 40,-0.2 37,-0.1 41,-0.2 0.768 360.0-105.4 -47.7 -76.5 -2.0 64.6 54.2 56 73 A N S S+ 0 0 17 39,-0.1 -1,-0.1 36,-0.1 43,-0.1 0.414 81.3 97.1 152.1 105.9 1.1 66.5 53.4 57 74 A G S > S+ 0 0 32 -3,-0.0 4,-0.6 41,-0.0 3,-0.5 -0.078 87.3 31.4-158.5 -69.7 0.8 69.9 52.3 58 75 A K T 4 S+ 0 0 178 1,-0.2 -3,-0.0 2,-0.1 0, 0.0 -0.303 105.3 77.9 -93.8 40.2 1.4 72.5 55.1 59 76 A T T > S+ 0 0 9 -2,-0.4 4,-1.2 3,-0.1 -1,-0.2 0.673 90.0 46.0-117.1 -41.5 3.8 70.3 56.9 60 77 A L H >> S+ 0 0 4 -3,-0.5 3,-1.2 1,-0.2 4,-0.9 1.000 96.1 69.6 -66.3 -71.8 6.9 70.6 55.0 61 78 A I H 3X S+ 0 0 67 -4,-0.6 4,-2.6 1,-0.3 -1,-0.2 0.597 106.4 42.0 -12.2 -55.6 7.1 74.3 54.5 62 79 A P H 3> S+ 0 0 16 0, 0.0 4,-2.8 0, 0.0 5,-0.3 0.945 112.8 53.7 -67.5 -50.5 7.8 74.8 58.3 63 80 A L H X S+ 0 0 77 -4,-2.6 4,-3.2 -5,-0.3 3,-2.3 0.936 112.9 37.4 -41.4 -81.1 11.9 76.6 57.3 66 83 A L H 3< S+ 0 0 0 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.907 113.6 58.8 -30.2 -62.8 13.4 75.3 60.4 67 84 A L H 3< S+ 0 0 6 -4,-4.1 -1,-0.3 -5,-0.3 -2,-0.2 0.889 119.0 31.5 -36.0 -46.4 15.7 73.3 58.2 68 85 A S H << S+ 0 0 76 -4,-3.7 2,-1.4 -3,-2.3 -2,-0.2 0.968 119.9 52.7 -77.7 -59.0 16.8 76.6 56.7 69 86 A T S < S+ 0 0 61 -4,-3.2 -1,-0.3 -5,-0.3 2,-0.3 -0.668 94.7 92.4 -80.9 90.8 16.4 78.7 59.7 70 87 A S - 0 0 22 -2,-1.4 -35,-0.1 -3,-0.2 3,-0.0 -0.875 45.8-170.7 176.6 151.2 18.3 76.7 62.3 71 88 A D + 0 0 136 -37,-0.3 2,-1.1 -2,-0.3 3,-0.1 0.136 65.4 104.3-130.4 9.6 21.6 76.2 64.1 72 89 A N >> - 0 0 25 1,-0.2 3,-3.7 -38,-0.1 4,-1.6 -0.716 48.5-174.1 -99.6 79.0 20.6 73.1 65.9 73 90 A E H 3> S+ 0 0 108 -2,-1.1 4,-0.9 1,-0.3 -1,-0.2 0.776 86.6 55.3 -46.6 -29.2 22.5 70.5 63.8 74 91 A D H 3> S+ 0 0 81 2,-0.2 4,-1.4 1,-0.1 -1,-0.3 0.771 107.6 51.2 -79.2 -16.7 20.8 67.9 65.8 75 92 A C H <> S+ 0 0 0 -3,-3.7 4,-2.6 2,-0.2 -2,-0.2 0.946 105.3 49.3 -78.5 -57.5 17.5 69.3 64.9 76 93 A K H X S+ 0 0 47 -4,-1.6 4,-3.9 1,-0.2 5,-0.3 0.794 108.7 60.3 -55.0 -27.8 17.7 69.6 61.2 77 94 A K H X S+ 0 0 22 -4,-0.9 4,-3.5 -5,-0.4 -1,-0.2 0.996 104.4 43.3 -61.1 -66.6 18.8 66.0 61.4 78 95 A S H X S+ 0 0 4 -4,-1.4 4,-3.5 2,-0.2 -2,-0.2 0.826 121.2 47.1 -48.8 -33.2 15.7 64.7 63.0 79 96 A V H X S+ 0 0 0 -4,-2.6 4,-3.6 2,-0.2 5,-0.3 0.989 107.2 50.0 -69.3 -76.4 14.0 66.9 60.5 80 97 A Q H X S+ 0 0 2 -4,-3.9 4,-1.9 1,-0.2 -2,-0.2 0.816 118.0 47.7 -22.5 -50.6 16.0 65.9 57.4 81 98 A N H >X S+ 0 0 4 -4,-3.5 4,-2.6 -5,-0.3 3,-0.7 0.995 106.7 50.8 -59.7 -70.7 15.1 62.5 58.6 82 99 A L H 3X S+ 0 0 5 -4,-3.5 4,-2.1 1,-0.3 -2,-0.2 0.924 108.9 56.4 -38.1 -46.0 11.4 63.0 59.3 83 100 A I H >X S+ 0 0 8 -4,-3.6 4,-1.8 1,-0.2 3,-0.7 0.955 111.2 40.6 -49.8 -55.4 11.5 64.3 55.8 84 101 A A H S+ 0 0 4 1,-0.2 4,-0.5 -10,-0.1 -1,-0.2 0.361 88.9 74.1 60.0 -18.6 5.6 59.8 50.9 94 111 A D H > S+ 0 0 46 -2,-0.6 4,-1.3 -3,-0.3 -1,-0.2 0.903 107.6 27.4 -86.4 -54.4 3.0 59.6 48.1 95 112 A D H > S+ 0 0 59 -4,-0.3 4,-2.6 1,-0.2 5,-0.2 0.912 110.0 73.8 -72.4 -40.3 1.7 63.1 48.7 96 113 A T H > S+ 0 0 0 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.872 100.0 47.1 -36.9 -49.6 5.1 64.1 50.0 97 114 A V H >X S+ 0 0 2 -4,-0.5 4,-2.7 -3,-0.2 3,-1.6 0.993 107.0 54.8 -57.3 -62.7 6.2 64.0 46.4 98 115 A K H 3X>S+ 0 0 63 -4,-1.3 4,-2.8 1,-0.3 5,-0.6 0.895 94.5 68.6 -35.1 -62.3 3.3 65.9 45.1 99 116 A F H 3X5S+ 0 0 20 -4,-2.6 4,-1.9 1,-0.3 -1,-0.3 0.810 114.8 28.5 -24.7 -62.1 4.1 68.6 47.4 100 117 A F H <<5S+ 0 0 1 -3,-1.6 -1,-0.3 -4,-1.1 -2,-0.3 0.783 109.4 68.4 -74.0 -31.0 7.2 69.1 45.3 101 118 A Q H <5S+ 0 0 51 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.966 112.6 34.9 -50.6 -44.9 5.7 67.9 42.2 102 119 A E H <5S+ 0 0 128 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.857 129.3 35.0 -75.5 -36.7 3.6 71.1 42.4 103 120 A D >X< + 0 0 43 -4,-1.9 3,-3.0 -5,-0.6 4,-1.0 -0.517 68.6 171.8-119.5 63.5 6.3 73.3 43.9 104 121 A P T 34 S+ 0 0 56 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.450 79.1 61.2 -50.5 -4.3 9.4 72.0 42.1 105 122 A K T 3> S+ 0 0 97 2,-0.2 4,-4.2 3,-0.1 3,-0.4 0.758 89.3 65.7 -90.7 -36.6 11.2 74.9 43.6 106 123 A Q H <> S+ 0 0 16 -3,-3.0 4,-4.3 1,-0.3 5,-0.4 0.960 103.2 49.9 -48.0 -43.5 10.4 73.7 47.1 107 124 A L H X S+ 0 0 0 -4,-1.0 4,-1.6 1,-0.2 -1,-0.3 0.808 107.8 52.2 -61.4 -34.0 12.6 71.0 45.9 108 125 A E H > S+ 0 0 83 -3,-0.4 4,-1.4 -5,-0.2 -2,-0.3 0.918 113.7 44.4 -67.7 -41.5 15.1 73.6 44.9 109 126 A Q H >X S+ 0 0 98 -4,-4.2 4,-1.9 2,-0.2 3,-1.0 0.972 111.2 49.8 -67.6 -55.9 14.8 75.1 48.3 110 127 A L H 3X S+ 0 0 2 -4,-4.3 4,-0.6 1,-0.3 -1,-0.2 0.913 104.7 63.2 -46.6 -44.9 15.0 71.9 50.2 111 128 A F H >< S+ 0 0 14 -4,-1.6 3,-1.5 -5,-0.4 -1,-0.3 0.919 100.3 50.5 -50.2 -45.5 18.0 71.2 48.2 112 129 A D H << S+ 0 0 97 -4,-1.4 -1,-0.2 -3,-1.0 -2,-0.2 0.951 110.3 48.3 -64.0 -40.5 19.8 74.1 49.6 113 130 A V H 3< S+ 0 0 28 -4,-1.9 -1,-0.3 12,-0.0 3,-0.3 0.503 106.5 87.5 -73.3 1.9 19.0 73.1 53.1 114 131 A S << + 0 0 2 -3,-1.5 8,-0.1 -4,-0.6 7,-0.0 -0.687 68.3 34.8-107.8 161.7 20.2 69.7 52.1 115 132 A L S S+ 0 0 3 6,-0.4 2,-0.4 -2,-0.3 7,-0.2 0.861 86.4 125.1 77.3 42.8 23.6 67.9 52.0 116 133 A K - 0 0 112 -3,-0.3 2,-0.2 5,-0.2 -1,-0.2 -0.984 48.2 -8.9-146.0 147.6 25.2 69.5 55.0 117 134 A G S S+ 0 0 57 -2,-0.4 5,-0.2 4,-0.1 -44,-0.0 -0.550 98.0 39.1 85.9-148.2 26.9 68.8 58.4 118 135 A D S > S- 0 0 51 -2,-0.2 4,-2.5 1,-0.1 5,-0.3 0.081 87.4-109.7 -34.0 141.4 27.2 65.5 60.1 119 136 A F H > S+ 0 0 86 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.900 119.3 45.2 -47.0 -44.9 27.9 62.7 57.7 120 137 A Q H >>>S+ 0 0 23 2,-0.2 3,-1.8 1,-0.2 4,-1.7 0.990 106.1 56.7 -65.0 -57.7 24.3 61.3 58.4 121 138 A T H 3>5S+ 0 0 10 1,-0.3 4,-2.1 2,-0.2 -6,-0.4 0.884 109.6 50.7 -34.9 -48.8 22.6 64.6 58.1 122 139 A V H 3X5S+ 0 0 2 -4,-2.5 4,-2.7 -5,-0.2 -1,-0.3 0.823 110.5 48.8 -59.8 -36.9 24.2 64.7 54.7 123 140 A L H < S+ 0 0 0 -4,-2.2 3,-3.1 -3,-0.2 6,-0.3 0.989 106.5 63.6 -76.2 -67.9 12.8 63.4 44.7 133 150 A L H 3< S+ 0 0 1 -4,-2.8 5,-0.3 1,-0.3 7,-0.2 0.771 107.5 47.4 -26.5 -47.2 15.3 64.4 41.9 134 151 A V T 3< S+ 0 0 15 -4,-2.2 -1,-0.3 5,-0.1 2,-0.3 0.087 94.9 139.5 -85.6 29.0 14.5 61.1 40.1 135 152 A Q S X> S- 0 0 4 -3,-3.1 3,-2.9 -5,-0.1 4,-0.8 -0.552 74.0 -89.8 -87.7 143.9 10.8 61.8 40.6 136 153 A N T 34 S- 0 0 87 1,-0.3 -1,-0.1 -134,-0.3 -133,-0.0 0.484 119.0 -12.2 -1.0 -54.9 7.9 61.1 38.3 137 154 A G T 34 S+ 0 0 54 3,-0.0 -1,-0.3 0, 0.0 -3,-0.1 -0.202 110.3 98.5-160.7 51.8 8.4 64.6 36.9 138 155 A L T <4 + 0 0 7 -3,-2.9 -2,-0.1 -5,-0.3 -4,-0.1 0.318 46.4 152.0-118.9 -4.3 10.8 66.5 39.2 139 156 A H < + 0 0 76 -4,-0.8 -5,-0.1 1,-0.1 -6,-0.1 0.089 10.9 164.3 -31.0 128.7 13.9 65.9 37.0 140 157 A N >> + 0 0 30 -7,-0.2 4,-1.8 1,-0.1 3,-1.1 -0.398 17.4 179.1-161.3 73.4 16.3 68.6 37.6 141 158 A V H 3>>S+ 0 0 67 1,-0.3 4,-4.6 2,-0.2 5,-0.6 0.885 78.4 68.5 -45.1 -53.6 19.7 68.1 36.4 142 159 A K H 3>5S+ 0 0 96 1,-0.3 4,-2.3 2,-0.2 -1,-0.3 0.895 107.6 43.5 -36.4 -49.4 21.0 71.5 37.5 143 160 A L H <>5S+ 0 0 2 -3,-1.1 4,-2.2 2,-0.2 3,-0.6 0.987 117.1 45.0 -54.8 -62.0 20.4 70.1 41.0 144 161 A V H X5S+ 0 0 0 -4,-1.8 4,-3.3 1,-0.3 5,-0.3 0.966 110.6 54.1 -45.1 -56.7 22.0 66.8 40.0 145 162 A E H X5S+ 0 0 63 -4,-4.6 4,-1.0 2,-0.2 -1,-0.3 0.907 112.4 47.1 -43.7 -41.8 24.6 68.7 38.3 146 163 A K H >X> S+ 0 0 100 2,-0.2 4,-2.2 3,-0.2 3,-1.0 0.946 79.3 61.2 -81.0 -83.3 31.7 67.6 48.3 152 169 A N H 3> S+ 0 0 76 1,-0.3 4,-1.9 2,-0.2 -1,-0.1 0.631 116.0 37.3 -9.9 -57.9 30.4 66.3 51.5 153 170 A L H 3> S+ 0 0 12 2,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.952 116.5 49.9 -74.0 -45.1 28.5 63.6 49.7 154 171 A I H < + 0 0 70 -4,-2.5 3,-0.6 -5,-0.2 7,-0.4 -0.544 56.2 179.8 -67.9 104.4 35.9 57.1 51.4 160 177 A I T 3 + 0 0 5 -2,-1.0 -1,-0.2 1,-0.2 3,-0.1 0.616 67.6 80.4 -76.6 -21.4 35.6 53.3 50.8 161 178 A E T 3 S+ 0 0 129 1,-0.2 2,-1.1 -3,-0.1 -1,-0.2 0.812 86.8 58.7 -56.9 -34.4 36.6 52.5 54.4 162 179 A Q <> + 0 0 73 -3,-0.6 4,-1.6 1,-0.2 5,-0.4 -0.683 69.4 176.9 -98.7 78.0 33.0 53.2 55.6 163 180 A M H > S+ 0 0 64 -2,-1.1 4,-4.4 1,-0.2 5,-0.3 0.932 71.1 59.7 -46.4 -62.2 31.1 50.8 53.5 164 181 A D H > S+ 0 0 53 2,-0.2 4,-2.8 3,-0.2 -1,-0.2 0.832 118.9 30.7 -33.4 -59.5 27.7 51.4 54.9 165 182 A T H > S+ 0 0 1 2,-0.2 4,-0.9 -3,-0.2 5,-0.3 0.997 119.9 48.3 -66.1 -77.6 27.9 55.0 53.8 166 183 A C H X S+ 0 0 0 -4,-1.6 4,-2.3 -7,-0.4 5,-0.2 0.857 114.0 54.3 -24.6 -58.6 30.1 54.8 50.7 167 184 A Y H X S+ 0 0 7 -4,-4.4 4,-2.2 -5,-0.4 -2,-0.2 0.945 109.1 44.9 -41.2 -73.5 27.7 52.0 49.9 168 185 A V H X S+ 0 0 0 -4,-2.8 4,-2.3 -5,-0.3 3,-0.5 0.863 109.2 54.7 -34.1 -78.4 24.6 54.2 50.2 169 186 A C H X S+ 0 0 3 -4,-0.9 4,-2.0 1,-0.3 -1,-0.2 0.810 109.7 48.6 -21.1 -68.8 26.0 57.2 48.3 170 187 A I H X S+ 0 0 0 -4,-2.3 4,-2.8 -5,-0.3 5,-0.3 0.933 108.9 50.8 -43.9 -59.8 26.7 54.9 45.4 171 188 A R H X S+ 0 0 44 -4,-2.2 4,-2.3 -3,-0.5 -1,-0.2 0.954 112.3 49.8 -46.5 -51.6 23.3 53.4 45.5 172 189 A L H >X S+ 0 0 2 -4,-2.3 3,-2.4 2,-0.2 4,-1.3 0.940 112.6 44.7 -44.3 -78.1 22.0 57.0 45.5 173 190 A L H >X S+ 0 0 14 -4,-2.0 4,-1.8 1,-0.3 3,-1.5 0.832 113.2 51.9 -27.8 -67.2 24.1 58.1 42.5 174 191 A Q H 3X S+ 0 0 12 -4,-2.8 4,-1.0 1,-0.3 -1,-0.3 0.774 103.1 58.6 -44.5 -38.9 23.2 54.9 40.6 175 192 A E H << S+ 0 0 34 -3,-2.4 4,-0.3 -4,-2.3 -1,-0.3 0.863 107.8 47.4 -62.5 -34.5 19.4 55.6 41.3 176 193 A L H X< S+ 0 0 4 -3,-1.5 3,-2.9 -4,-1.3 6,-0.3 0.882 101.5 62.7 -67.4 -46.2 19.9 58.8 39.4 177 194 A A H 3< S+ 0 0 0 -4,-1.8 6,-0.2 1,-0.3 -1,-0.2 0.793 88.6 72.4 -53.7 -25.8 21.7 57.1 36.6 178 195 A V T 3< S+ 0 0 58 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.846 82.1 82.8 -55.1 -30.8 18.4 55.3 36.2 179 196 A I S X> S- 0 0 18 -3,-2.9 4,-2.2 -4,-0.3 3,-1.3 -0.607 76.1-153.2 -82.3 89.6 17.3 58.6 34.8 180 197 A P H 3> S+ 0 0 67 0, 0.0 4,-0.6 0, 0.0 3,-0.3 0.830 93.5 52.8 -26.5 -56.6 18.4 58.6 31.3 181 198 A E H >> S+ 0 0 96 1,-0.3 3,-1.2 2,-0.2 4,-0.7 0.901 107.3 51.1 -50.3 -51.4 18.7 62.4 31.2 182 199 A Y H <> S+ 0 0 1 -3,-1.3 4,-2.2 -6,-0.3 3,-0.4 0.863 90.5 84.2 -53.4 -40.3 20.8 62.4 34.3 183 200 A R H 3X S+ 0 0 59 -4,-2.2 4,-2.3 -3,-0.3 -1,-0.3 0.816 89.9 46.7 -37.1 -44.6 23.0 59.9 32.6 184 201 A D H < S+ 0 0 0 -4,-2.2 3,-3.6 1,-0.2 -1,-0.2 0.955 110.1 47.9 -48.8 -66.7 26.7 62.1 35.7 187 204 A W H >< S+ 0 0 16 -4,-2.3 3,-2.4 1,-0.3 4,-0.3 0.852 98.0 72.9 -48.9 -35.9 29.1 60.7 33.2 188 205 A L T 3< S+ 0 0 97 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.790 107.3 33.5 -51.7 -24.5 30.3 64.1 32.8 189 206 A H T X> S+ 0 0 22 -3,-3.6 3,-2.4 -4,-0.5 4,-0.6 0.029 71.5 133.7-121.6 28.7 32.0 63.8 36.2 190 207 A E H <> + 0 0 22 -3,-2.4 4,-2.6 1,-0.3 3,-0.4 0.810 58.1 83.7 -44.9 -32.9 32.9 60.2 36.1 191 208 A K H 34 S+ 0 0 101 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.477 93.0 44.1 -50.5 -7.1 36.2 61.4 37.4 192 209 A K H <4 S+ 0 0 42 -3,-2.4 4,-0.5 3,-0.1 -1,-0.2 0.775 124.8 23.9-110.4 -41.2 34.8 61.3 40.9 193 210 A F H X S+ 0 0 2 -4,-0.6 4,-2.8 -3,-0.4 -2,-0.2 0.858 111.0 70.5 -92.4 -41.6 33.0 58.2 41.3 194 211 A M H X S+ 0 0 1 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.902 98.5 46.8 -41.3 -65.8 34.7 56.1 38.6 195 212 A P H > S+ 0 0 55 0, 0.0 4,-2.6 0, 0.0 3,-0.5 0.949 113.7 49.2 -42.9 -61.7 38.0 55.7 40.4 196 213 A T H > S+ 0 0 7 -4,-0.5 4,-3.1 1,-0.3 5,-0.3 0.897 105.3 59.2 -43.3 -52.3 36.3 54.8 43.6 197 214 A L H < S+ 0 0 0 -4,-2.8 4,-0.5 1,-0.2 -1,-0.3 0.913 109.8 42.8 -45.4 -50.7 34.2 52.3 41.8 198 215 A F H >X S+ 0 0 8 -4,-2.4 3,-3.7 -3,-0.5 4,-1.5 0.955 107.2 56.1 -66.2 -51.3 37.2 50.5 40.7 199 216 A K H >X S+ 0 0 108 -4,-2.6 4,-1.2 1,-0.3 3,-0.5 0.931 106.7 55.7 -45.0 -40.1 39.1 50.6 44.0 200 217 A I H 3X S+ 0 0 8 -4,-3.1 4,-0.6 -5,-0.3 -1,-0.3 0.757 106.7 52.5 -62.4 -20.2 36.0 48.9 45.1 201 218 A L H <> S+ 0 0 4 -3,-3.7 4,-3.2 -4,-0.5 -1,-0.2 0.747 104.2 48.8 -90.9 -27.9 36.7 46.3 42.5 202 219 A Q H > + 0 0 61 1,-0.2 4,-2.0 2,-0.2 3,-1.0 0.898 360.0 43.7 -67.8 -46.5 27.5 44.3 52.1 210 239 A G H 3> S+ 0 0 26 1,-0.3 4,-0.7 2,-0.2 -1,-0.2 0.568 113.2 56.0 -74.3 -13.5 30.8 44.0 50.2 211 240 A I H 34 S+ 0 0 70 2,-0.2 -1,-0.3 3,-0.1 -2,-0.2 -0.088 108.9 45.9-106.7 23.5 28.9 41.9 47.7 212 241 A Q H <> S+ 0 0 69 -3,-1.0 4,-3.7 3,-0.1 5,-0.3 0.472 106.6 55.6-131.4 -40.6 26.3 44.6 47.2 213 242 A L H X S+ 0 0 3 -4,-2.0 4,-3.1 2,-0.2 5,-0.3 0.919 107.2 53.0 -58.7 -48.0 28.7 47.4 46.9 214 243 A Q H X S+ 0 0 31 -4,-0.7 4,-2.2 2,-0.2 -1,-0.2 0.964 115.1 40.0 -53.1 -56.8 30.4 45.5 44.1 215 244 A Y H >> S+ 0 0 68 2,-0.2 4,-2.7 1,-0.2 3,-0.5 0.985 113.1 51.5 -54.2 -70.5 27.1 45.1 42.3 216 245 A H H 3X S+ 0 0 12 -4,-3.7 4,-3.5 1,-0.3 5,-0.2 0.907 112.1 49.0 -39.4 -49.8 25.7 48.5 43.0 217 246 A S H 3X S+ 0 0 0 -4,-3.1 4,-2.6 -5,-0.3 -1,-0.3 0.923 112.5 48.5 -59.0 -40.9 28.9 50.0 41.6 218 247 A L H < S+ 0 0 14 -4,-3.1 3,-2.1 -5,-0.3 -1,-0.2 0.992 112.9 32.0 -53.3 -78.2 23.9 51.9 33.3 224 253 A L H >< S+ 0 0 5 -4,-1.4 3,-1.7 1,-0.3 7,-0.2 0.827 107.2 72.3 -46.9 -46.3 25.8 54.8 31.9 225 254 A T T 3< S+ 0 0 5 -4,-2.4 6,-0.5 1,-0.3 -1,-0.3 0.632 72.6 92.5 -44.2 -24.0 28.0 52.4 29.8 226 255 A F T < + 0 0 110 -3,-2.1 -1,-0.3 -4,-0.5 -2,-0.2 0.519 68.3 82.0 -51.5 -13.2 24.8 51.9 27.8 227 256 A N S X> S- 0 0 47 -3,-1.7 4,-1.8 1,-0.2 3,-1.1 -0.813 80.4-138.2-110.0 101.6 26.0 54.7 25.5 228 257 A P H 3> S+ 0 0 14 0, 0.0 4,-3.8 0, 0.0 -1,-0.2 0.656 106.1 46.7 -14.6 -50.3 28.4 53.6 22.9 229 258 A V H 3> S+ 0 0 58 2,-0.2 4,-3.3 1,-0.2 5,-0.2 0.979 111.2 47.2 -67.2 -57.3 30.4 56.7 23.6 230 259 A F H <> S+ 0 0 25 -3,-1.1 4,-2.9 1,-0.2 -1,-0.2 0.960 117.8 45.8 -44.9 -49.7 30.3 56.5 27.3 231 260 A A H X S+ 0 0 0 -4,-1.8 4,-1.9 -6,-0.5 5,-0.3 0.930 110.2 54.5 -57.2 -47.3 31.3 52.9 26.7 232 261 A N H X S+ 0 0 42 -4,-3.8 4,-1.9 -5,-0.4 -2,-0.2 0.967 112.0 43.5 -45.2 -68.7 33.8 54.1 24.2 233 262 A E H < S+ 0 0 80 -4,-3.3 5,-0.4 1,-0.2 -2,-0.2 0.900 109.8 52.8 -44.3 -64.8 35.3 56.4 26.8 234 263 A L H >X S+ 0 0 5 -4,-2.9 4,-3.7 -5,-0.2 3,-1.7 0.920 109.2 49.8 -37.8 -68.3 35.4 54.1 29.8 235 264 A V H 3< S+ 0 0 2 -4,-1.9 2,-0.7 1,-0.3 -1,-0.2 0.915 114.8 42.4 -41.2 -57.6 37.2 51.4 28.0 236 265 A Q T 3< S+ 0 0 125 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 -0.170 125.9 33.3 -91.1 47.7 39.9 53.6 26.7 237 266 A K T <4 S+ 0 0 117 -3,-1.7 -2,-0.2 -2,-0.7 -1,-0.2 0.255 127.4 34.6-159.2 -33.6 40.4 55.6 29.9 238 267 A Y S X S+ 0 0 27 -4,-3.7 4,-2.8 -5,-0.4 -2,-0.1 -0.258 83.2 136.5-122.4 35.3 39.7 53.1 32.6 239 268 A L H > + 0 0 40 2,-0.2 4,-1.6 1,-0.2 5,-0.4 0.958 60.4 52.7 -50.0 -74.2 41.3 50.3 30.6 240 269 A S H > S+ 0 0 80 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.877 116.7 41.4 -29.1 -69.8 43.4 48.4 33.0 241 270 A D H >> S+ 0 0 38 2,-0.2 3,-1.6 1,-0.2 4,-1.4 0.902 108.8 62.0 -48.1 -50.0 40.4 48.1 35.4 242 271 A F H >< S+ 0 0 4 -4,-2.8 3,-3.5 1,-0.3 4,-0.4 0.921 102.8 48.1 -35.4 -76.5 38.1 47.3 32.5 243 272 A L H 3X S+ 0 0 15 -4,-1.6 4,-0.5 1,-0.3 3,-0.5 0.699 105.7 64.7 -38.0 -29.1 40.1 44.2 31.6 244 273 A D H XX S+ 0 0 32 -3,-1.6 4,-1.5 -4,-1.1 3,-0.5 0.812 73.1 83.6 -69.7 -35.8 39.8 43.4 35.3 245 274 A L H XX S+ 0 0 10 -3,-3.5 4,-4.1 -4,-1.4 3,-0.7 0.893 89.9 57.9 -30.9 -54.7 36.2 43.0 35.4 246 275 A L H 3> S+ 0 0 4 -3,-0.5 4,-3.4 -4,-0.4 -1,-0.3 0.888 96.4 59.6 -39.2 -60.3 37.1 39.5 34.1 247 276 A K H S- 0 0 139 -2,-0.2 4,-0.6 -43,-0.0 3,-0.5 0.411 79.9-126.5 -64.1 173.3 26.8 35.3 43.5 255 284 A E H > S+ 0 0 43 -2,-0.2 4,-0.7 1,-0.2 5,-0.1 0.092 94.1 84.8 -90.5 22.1 25.8 35.5 39.8 256 285 A K H > S+ 0 0 135 3,-0.1 4,-0.9 2,-0.1 -1,-0.2 0.721 94.1 42.2 -93.9 -18.9 24.4 39.0 40.1 257 286 A V H > S+ 0 0 4 -3,-0.5 4,-2.1 2,-0.2 -2,-0.1 0.946 109.6 52.3 -87.2 -68.1 27.7 40.5 39.7 258 287 A S H >X S+ 0 0 9 -4,-0.6 4,-1.5 1,-0.3 3,-0.7 0.880 106.7 56.3 -30.9 -74.0 29.3 38.5 37.0 259 288 A R H 3X S+ 0 0 79 -4,-0.7 4,-3.8 1,-0.3 -1,-0.3 0.805 108.1 48.0 -23.7 -69.1 26.2 39.1 34.9 260 289 A L H 3X S+ 0 0 18 -4,-0.9 4,-3.4 2,-0.2 -1,-0.3 0.901 116.5 44.5 -41.4 -55.0 26.8 42.8 35.3 261 290 A C H X S+ 0 0 19 -4,-3.8 4,-2.6 -5,-0.4 3,-0.7 0.979 108.9 50.0 -53.2 -71.5 27.3 42.6 30.3 264 293 A I H 3X S+ 0 0 1 -4,-3.4 4,-2.3 1,-0.3 -1,-0.2 0.859 110.9 54.7 -30.5 -53.6 29.3 45.7 30.8 265 294 A I H 3< S+ 0 0 3 -4,-3.2 -1,-0.3 1,-0.2 -2,-0.2 0.916 111.2 41.6 -46.5 -58.5 32.0 43.9 28.9 266 295 A L H XX S+ 0 0 29 -4,-2.4 3,-3.2 -3,-0.7 4,-1.3 0.887 108.9 58.6 -56.0 -50.6 29.7 43.2 26.0 267 296 A Q H 3< S+ 0 0 26 -4,-2.6 3,-0.4 1,-0.3 6,-0.4 0.867 104.4 54.4 -47.3 -38.5 28.1 46.6 26.0 268 297 A C T 3< S+ 0 0 0 -4,-2.3 -1,-0.3 -5,-0.4 -2,-0.2 0.551 114.8 37.0 -74.8 -10.6 31.6 47.7 25.5 269 298 A C T <4 S+ 0 0 12 -3,-3.2 -1,-0.2 -4,-0.2 -2,-0.2 0.274 88.4 140.1-115.8 -1.6 31.9 45.5 22.4 270 299 A S S < S- 0 0 41 -4,-1.3 3,-0.4 -3,-0.4 6,-0.2 -0.005 74.0-106.8 -42.6 152.4 28.4 46.1 21.3 271 300 A T S S+ 0 0 127 1,-0.2 5,-0.2 5,-0.1 4,-0.2 0.794 121.3 56.7 -48.8 -31.5 27.9 46.6 17.6 272 301 A R S S+ 0 0 137 -5,-0.1 -1,-0.2 2,-0.1 -4,-0.1 0.831 76.5 92.1 -74.8 -45.5 27.4 50.2 18.7 273 302 A V S > S- 0 0 2 -3,-0.4 3,-1.1 -6,-0.4 2,-0.2 -0.447 92.4-107.8 -56.6 129.0 30.6 51.1 20.5 274 303 A K T 3 S- 0 0 122 1,-0.3 -1,-0.1 -46,-0.1 -2,-0.1 -0.418 93.9 -4.2 -64.0 129.1 32.8 52.5 17.8 275 304 A Q T >> S+ 0 0 134 -2,-0.2 3,-0.9 -4,-0.2 4,-0.9 0.923 73.5 168.6 49.5 49.0 35.6 50.3 16.7 276 305 A H H <> + 0 0 50 -3,-1.1 4,-1.8 1,-0.3 5,-0.2 0.884 63.9 86.2 -52.3 -36.2 34.7 47.8 19.4 277 306 A K H 3> S+ 0 0 111 1,-0.3 4,-3.2 2,-0.2 -1,-0.3 0.846 84.4 50.4 -29.5 -64.6 37.1 45.8 17.4 278 307 A K H <> S+ 0 0 60 -3,-0.9 4,-2.7 1,-0.2 -1,-0.3 0.938 109.6 52.9 -41.4 -59.4 40.0 47.3 19.4 279 308 A V H X S+ 0 0 8 -4,-0.9 4,-3.4 1,-0.2 5,-0.3 0.910 109.8 45.6 -41.6 -63.7 38.1 46.4 22.5 280 309 A I H X S+ 0 0 7 -4,-1.8 4,-2.8 2,-0.2 5,-0.4 0.934 115.2 49.3 -45.0 -57.8 37.7 42.8 21.4 281 310 A K H X S+ 0 0 35 -4,-3.2 4,-3.7 1,-0.2 5,-0.4 0.932 112.3 47.1 -39.0 -78.6 41.4 42.9 20.4 282 311 A Q H X>S+ 0 0 5 -4,-2.7 4,-3.3 3,-0.2 5,-1.6 0.820 112.9 48.6 -28.5 -61.8 42.3 44.3 23.8 283 312 A L H X5S+ 0 0 2 -4,-3.4 6,-2.7 -5,-0.3 4,-1.1 0.959 123.2 33.6 -47.6 -58.7 40.2 41.8 25.7 284 313 A L H X5S+ 0 0 16 -4,-2.8 4,-0.8 -3,-0.3 -2,-0.2 0.974 132.4 32.6 -54.5 -63.0 41.6 38.9 23.8 285 314 A L H <5S+ 0 0 47 -4,-3.7 -3,-0.2 -5,-0.4 -2,-0.2 0.920 132.3 23.8 -64.4 -59.6 45.0 40.5 23.4 286 315 A L H <5S+ 0 0 60 -4,-3.3 -3,-0.2 -5,-0.4 -1,-0.2 0.596 132.5 31.0 -94.5 -11.0 45.5 42.5 26.5 287 316 A G H < + 0 0 1 -6,-2.7 4,-2.2 -7,-0.2 5,-0.3 0.992 62.2 59.9 -52.9 -64.8 39.5 37.5 27.7 290 319 A L H >> S+ 0 0 17 2,-0.2 4,-3.4 1,-0.2 3,-1.0 0.795 105.6 39.2 -26.5 -85.8 39.2 34.2 25.8 291 320 A P H 3> S+ 0 0 63 0, 0.0 4,-2.9 0, 0.0 5,-0.3 0.916 117.7 53.4 -31.6 -63.7 40.6 31.6 28.2 292 321 A T H 3X S+ 0 0 9 -4,-1.1 4,-1.6 1,-0.2 -2,-0.2 0.833 114.2 40.0 -38.9 -52.5 38.9 33.3 31.0 293 322 A V H < S+ 0 0 48 -4,-2.9 3,-0.6 -5,-0.2 -1,-0.2 0.869 116.8 39.1 -57.3 -47.8 36.2 28.7 31.4 296 325 A L H 3< S+ 0 0 2 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.992 99.9 74.5 -66.2 -54.4 33.1 30.5 32.5 297 326 A S H 3< S+ 0 0 18 -4,-3.9 2,-0.6 1,-0.2 -1,-0.2 0.653 99.6 51.1 -26.6 -36.9 31.2 29.6 29.3 298 327 A E S << S+ 0 0 138 -4,-0.9 2,-0.3 -3,-0.6 -1,-0.2 -0.923 96.7 69.9-112.0 104.0 30.9 26.2 30.7 299 328 A R S S- 0 0 98 -2,-0.6 2,-0.9 2,-0.0 -3,-0.1 -0.954 82.4 -34.1-176.8-163.4 29.6 26.2 34.2 300 329 A K + 0 0 157 -2,-0.3 2,-0.1 1,-0.1 3,-0.1 -0.774 53.9 149.6 -89.9 96.9 27.0 26.7 36.9 301 330 A Y + 0 0 8 -2,-0.9 6,-0.4 1,-0.1 5,-0.1 -0.524 16.4 175.2-131.4 69.2 24.7 29.5 35.9 302 331 A S S S+ 0 0 107 1,-0.2 2,-1.5 -2,-0.1 -1,-0.1 0.821 75.5 77.0 -39.7 -33.7 21.3 28.7 37.3 303 332 A D S >> S- 0 0 63 1,-0.2 3,-2.4 -3,-0.1 4,-0.7 -0.618 77.1-161.4 -81.4 80.9 20.6 32.2 35.8 304 333 A E H >> S+ 0 0 96 -2,-1.5 3,-3.1 1,-0.3 4,-1.3 0.806 85.1 56.8 -24.3 -87.2 20.3 31.2 32.2 305 334 A E H 3> S+ 0 0 100 1,-0.3 4,-3.7 2,-0.2 -1,-0.3 0.700 101.1 64.3 -18.6 -44.2 20.8 34.6 30.6 306 335 A L H <> S+ 0 0 0 -3,-2.4 4,-2.9 2,-0.2 -1,-0.3 0.939 106.2 40.0 -50.1 -56.7 24.1 34.6 32.5 307 336 A R H X S+ 0 0 88 -4,-2.1 4,-1.0 1,-0.3 3,-0.6 0.916 112.7 48.1 -42.7 -81.7 35.7 35.1 15.9 320 349 A E H 3< S+ 0 0 14 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.801 108.2 62.3 -25.3 -46.3 37.7 38.3 16.2 321 350 A Y H >< S+ 0 0 136 -4,-3.0 3,-2.7 -3,-0.4 -1,-0.3 0.975 98.3 50.7 -48.5 -67.6 40.4 35.9 17.4 322 351 A Q H << S+ 0 0 160 -4,-1.8 2,-0.5 -3,-0.6 -1,-0.2 0.905 102.6 61.3 -35.5 -56.5 40.6 34.1 14.1 323 352 A E T 3< S+ 0 0 107 -4,-1.0 2,-0.6 2,-0.0 -1,-0.3 0.302 84.2 123.4 -59.1 17.1 40.9 37.4 12.3 324 353 A L < - 0 0 40 -3,-2.7 2,-0.2 -2,-0.5 -3,-0.1 -0.780 42.5-171.6 -92.7 120.1 44.1 37.8 14.4 325 354 A T >> - 0 0 71 -2,-0.6 4,-1.1 1,-0.1 3,-0.6 -0.647 37.3-113.6 -99.7 154.2 47.4 38.4 12.6 326 355 A S H 3> S+ 0 0 71 1,-0.2 4,-2.0 -2,-0.2 -1,-0.1 0.839 113.7 67.2 -61.9 -28.2 50.7 38.2 14.5 327 356 A F H 3> S+ 0 0 22 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.896 91.1 59.2 -57.3 -45.1 51.1 41.9 13.7 328 357 A D H <> S+ 0 0 35 -3,-0.6 4,-2.3 1,-0.3 -1,-0.2 0.980 102.5 52.4 -48.4 -57.3 48.2 42.8 15.9 329 358 A E H X S+ 0 0 79 -4,-1.1 4,-2.5 1,-0.3 -1,-0.3 0.909 107.7 56.3 -40.8 -48.4 50.1 41.2 18.7 330 359 A Y H X S+ 0 0 1 -4,-2.0 4,-3.1 2,-0.2 -1,-0.3 0.960 108.9 42.6 -49.5 -62.3 52.9 43.5 17.6 331 360 A V H X S+ 0 0 28 -4,-2.8 4,-2.1 2,-0.2 5,-0.2 0.973 107.1 61.3 -48.5 -66.3 50.8 46.5 18.0 332 361 A A H X S+ 0 0 4 -4,-2.3 4,-2.4 1,-0.3 6,-0.3 0.783 111.9 39.6 -25.3 -64.9 49.3 45.4 21.3 333 362 A E H X>S+ 0 0 7 -4,-2.5 5,-2.2 2,-0.2 4,-0.8 0.961 119.9 45.9 -54.5 -54.4 52.9 45.4 22.7 334 363 A L H ><5S+ 0 0 3 -4,-3.1 3,-1.8 -5,-0.3 -2,-0.2 0.980 117.4 43.0 -51.0 -63.1 53.8 48.5 20.9 335 364 A D H 3<5S+ 0 0 68 -4,-2.1 -2,-0.2 1,-0.3 -3,-0.2 0.935 117.1 45.3 -40.2 -72.0 50.6 50.3 21.8 336 365 A S H 3<5S- 0 0 53 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.421 111.7-122.4 -55.0 -7.5 50.6 49.1 25.5 337 366 A K T <<5S+ 0 0 102 -3,-1.8 2,-0.3 -4,-0.8 -3,-0.2 0.781 75.1 122.1 67.3 29.2 54.3 50.0 25.7 338 367 A L < - 0 0 99 -5,-2.2 2,-0.1 -6,-0.3 -4,-0.1 -0.624 40.3-173.7-125.6 71.5 55.3 46.4 26.6 339 368 A L + 0 0 3 -2,-0.3 54,-0.1 -6,-0.2 2,-0.1 -0.412 15.2 171.7 -67.8 134.9 57.8 44.9 24.1 340 369 A C - 0 0 59 -2,-0.1 2,-0.4 53,-0.1 -1,-0.1 -0.212 39.4 -91.0-118.1-151.3 58.5 41.3 24.7 341 370 A W + 0 0 107 -2,-0.1 -2,-0.0 4,-0.0 52,-0.0 -0.911 58.1 147.5-134.3 102.3 60.3 38.4 23.2 342 371 A S >> - 0 0 24 -2,-0.4 3,-2.7 1,-0.1 4,-0.6 -0.999 60.9 -99.7-146.2 136.8 58.0 36.6 21.1 343 372 A P G >4 S+ 0 0 97 0, 0.0 3,-1.3 0, 0.0 4,-0.1 0.706 117.8 57.6 -13.6 -71.7 58.3 34.5 18.0 344 373 A P G >4 S+ 0 0 11 0, 0.0 3,-1.9 0, 0.0 7,-0.3 0.813 100.5 60.7 -37.3 -43.2 57.1 37.3 15.6 345 374 A H G <4 S+ 0 0 0 -3,-2.7 6,-0.1 1,-0.3 -4,-0.0 0.940 113.9 33.0 -50.3 -54.5 59.9 39.5 16.9 346 375 A V G << S+ 0 0 89 -3,-1.3 2,-0.8 -4,-0.6 -1,-0.3 0.011 97.0 107.0 -92.7 24.8 62.5 37.2 15.7 347 376 A D <> - 0 0 74 -3,-1.9 4,-3.0 -5,-0.2 3,-0.3 -0.747 48.4-171.2-110.9 90.9 60.5 36.1 12.7 348 377 A N H > S+ 0 0 108 -2,-0.8 4,-5.0 1,-0.3 -1,-0.2 0.819 94.9 57.9 -44.1 -32.8 61.9 37.6 9.5 349 378 A G H > S+ 0 0 24 2,-0.3 4,-1.1 1,-0.2 5,-0.4 0.957 103.6 46.6 -62.6 -53.2 58.7 36.2 8.2 350 379 A F H >> S+ 0 0 5 -3,-0.3 4,-2.1 1,-0.2 3,-1.1 0.972 121.0 41.1 -52.0 -48.8 56.7 38.2 10.6 351 380 A W H 3X S+ 0 0 0 -4,-3.0 4,-1.2 -7,-0.3 -2,-0.3 0.903 107.5 62.0 -60.5 -45.4 59.0 41.1 9.5 352 381 A S H 3< S+ 0 0 76 -4,-5.0 -1,-0.3 -5,-0.3 -2,-0.2 0.570 117.3 28.5 -59.2 -13.7 58.9 40.0 5.9 353 382 A D H << S+ 0 0 107 -4,-1.1 4,-0.3 -3,-1.1 -1,-0.2 0.632 120.8 47.0-119.9 -28.8 55.1 40.6 5.7 354 383 A N H < S+ 0 0 17 -4,-2.1 4,-0.5 -5,-0.4 -2,-0.2 0.371 84.0 96.8-100.6 6.5 54.3 43.3 8.2 355 384 A I S >X S+ 0 0 15 -4,-1.2 3,-3.9 1,-0.2 4,-1.4 0.962 76.9 56.2 -59.0 -59.2 57.1 45.7 7.2 356 385 A D G >4 S+ 0 0 92 1,-0.3 3,-1.3 2,-0.2 -1,-0.2 0.909 98.5 65.5 -39.2 -47.7 55.1 47.9 5.0 357 386 A E G 34 S+ 0 0 79 1,-0.3 8,-0.3 -4,-0.3 -1,-0.3 0.728 99.8 50.9 -48.0 -28.9 52.8 48.4 8.0 358 387 A F G <4 S+ 0 0 1 -3,-3.9 2,-1.5 -4,-0.5 8,-1.2 0.852 103.8 60.4 -78.2 -34.7 55.7 50.1 9.6 359 388 A K S << S+ 0 0 89 -4,-1.4 -1,-0.2 -3,-1.3 3,-0.1 -0.759 85.2 117.8 -89.6 78.4 56.2 52.3 6.6 360 389 A K S > S+ 0 0 75 -2,-1.5 2,-2.8 1,-0.1 3,-0.7 0.110 72.6 0.3-113.3-125.3 52.8 53.7 6.9 361 390 A D G > S- 0 0 120 1,-0.4 3,-0.6 -4,-0.2 -1,-0.1 -0.478 143.4 -37.4 -69.8 79.6 51.6 57.2 7.4 362 391 A N G 3 S- 0 0 85 -2,-2.8 -1,-0.4 1,-0.3 5,-0.3 0.969 108.9 -65.4 58.2 50.8 55.1 58.4 7.6 363 392 A Y G X> S+ 0 0 32 -3,-0.7 4,-2.6 -7,-0.1 3,-0.8 0.805 77.9 171.1 45.1 33.2 56.0 55.2 9.4 364 393 A K H <> S+ 0 0 129 -3,-0.6 4,-3.3 1,-0.3 -1,-0.1 0.891 77.3 50.6 -34.3 -55.9 53.8 56.4 12.2 365 394 A I H 3> S+ 0 0 19 -8,-0.3 4,-3.6 2,-0.2 -1,-0.3 0.847 111.0 47.4 -49.0 -48.1 54.3 52.9 13.7 366 395 A F H <> S+ 0 0 1 -8,-1.2 4,-4.2 -3,-0.8 5,-0.2 0.987 112.5 47.7 -61.0 -57.2 58.0 53.2 13.3 367 396 A R H X S+ 0 0 84 -4,-2.6 4,-4.9 -5,-0.3 -2,-0.2 0.883 113.7 50.8 -47.3 -41.4 58.1 56.6 14.8 368 397 A Q H X S+ 0 0 42 -4,-3.3 4,-2.6 -5,-0.5 -1,-0.3 0.963 109.9 47.9 -56.6 -56.8 55.9 55.1 17.5 369 398 A L H X S+ 0 0 0 -4,-3.6 4,-1.9 1,-0.2 -2,-0.2 0.972 115.4 46.5 -46.4 -62.0 58.4 52.4 17.9 370 399 A I H X S+ 0 0 2 -4,-4.2 4,-2.7 2,-0.2 -2,-0.3 0.896 107.7 55.4 -49.8 -55.2 61.1 54.9 18.0 371 400 A E H X S+ 0 0 95 -4,-4.9 4,-2.7 1,-0.2 3,-0.5 0.961 106.3 51.8 -44.5 -66.1 59.3 57.2 20.5 372 401 A L H X S+ 0 0 2 -4,-2.6 4,-1.6 1,-0.3 5,-0.2 0.858 109.3 48.1 -32.5 -64.5 58.9 54.4 22.9 373 402 A L H X S+ 0 0 5 -4,-1.9 4,-1.5 1,-0.2 -1,-0.3 0.907 111.2 52.7 -45.4 -50.8 62.6 53.6 22.8 374 403 A Q H >X S+ 0 0 24 -4,-2.7 4,-1.1 -3,-0.5 3,-0.6 0.949 107.1 53.0 -50.5 -56.8 63.4 57.2 23.3 375 404 A A H >X S+ 0 0 21 -4,-2.7 4,-1.0 1,-0.2 3,-0.9 0.936 102.4 54.5 -40.7 -79.7 61.1 57.3 26.3 376 405 A K H 3<>S+ 0 0 33 -4,-1.6 5,-0.7 1,-0.2 6,-0.5 0.746 103.0 62.6 -26.2 -42.4 62.7 54.4 28.2 377 406 A V H <<5S+ 0 0 40 -4,-1.5 -1,-0.2 -3,-0.6 -2,-0.2 0.965 126.7 6.4 -52.1 -65.5 66.0 56.2 27.9 378 407 A R H <<5S+ 0 0 171 -4,-1.1 -2,-0.2 -3,-0.9 -3,-0.1 0.953 108.8 92.9 -82.9 -64.7 65.2 59.3 29.8 379 408 A N T <5S- 0 0 69 -4,-1.0 2,-5.5 1,-0.3 3,-0.5 -0.008 121.8 -25.5 -33.7 125.2 61.8 58.4 31.1 380 409 A G T 5S- 0 0 59 1,-0.2 -1,-0.3 7,-0.0 -3,-0.1 -0.108 86.7-136.9 58.7 -50.1 62.4 56.9 34.5 381 410 A D < + 0 0 118 -2,-5.5 2,-0.4 -5,-0.7 -1,-0.2 0.991 45.8 156.8 59.9 64.5 65.8 56.0 33.2 382 411 A V - 0 0 59 -6,-0.5 -1,-0.2 -3,-0.5 -3,-0.0 -0.928 45.2-162.2-122.2 146.7 65.8 52.5 34.7 383 412 A N + 0 0 89 -2,-0.4 2,-0.3 4,-0.1 -1,-0.1 0.269 45.3 140.4-105.4 7.8 67.7 49.4 33.9 384 413 A A S > S- 0 0 54 1,-0.1 4,-1.3 4,-0.1 5,-0.4 -0.330 76.0-100.6 -54.9 111.3 65.2 47.3 35.8 385 414 A K H > S+ 0 0 162 -2,-0.3 4,-1.6 1,-0.2 5,-0.1 0.510 122.0 51.1 2.1 -75.3 64.9 44.3 33.6 386 415 A Q H >> S+ 0 0 157 2,-0.3 3,-5.1 1,-0.2 4,-1.1 0.877 113.9 37.9 -36.1 -89.7 61.6 45.7 32.3 387 416 A E H 3> S+ 0 0 21 1,-0.3 4,-1.1 2,-0.2 -1,-0.2 0.873 118.9 54.6 -31.6 -49.6 62.6 49.2 31.3 388 417 A K H 3X S+ 0 0 20 -4,-1.3 4,-0.9 1,-0.2 -1,-0.3 0.690 107.9 49.6 -62.6 -19.4 65.8 47.5 30.2 389 418 A I H < + 0 0 34 -4,-2.8 3,-4.9 -5,-0.3 4,-0.3 -0.601 68.8 179.2-108.8 64.6 63.5 49.9 4.7 406 435 A P T > S+ 0 0 46 0, 0.0 3,-1.3 0, 0.0 4,-0.2 0.701 79.5 67.5 -39.9 -25.8 67.0 51.4 4.5 407 436 A E T 3> S+ 0 0 115 1,-0.3 4,-0.5 2,-0.2 3,-0.4 0.495 80.8 77.7 -77.0 -0.8 65.1 54.7 3.8 408 437 A S H <> S+ 0 0 0 -3,-4.9 4,-2.1 -6,-0.3 -1,-0.3 0.700 70.7 85.1 -77.0 -21.0 63.9 54.5 7.4 409 438 A I H <> S+ 0 0 6 -3,-1.3 4,-3.1 -4,-0.3 -1,-0.2 0.890 84.0 57.5 -47.3 -46.6 67.4 55.7 8.5 410 439 A D H >> S+ 0 0 55 -3,-0.4 4,-3.0 2,-0.3 3,-0.7 0.968 103.5 48.2 -50.4 -69.0 66.3 59.3 8.0 411 440 A V H 3X S+ 0 0 2 -4,-0.5 4,-3.4 1,-0.3 5,-0.4 0.891 112.8 52.4 -38.8 -44.1 63.3 59.2 10.3 412 441 A L H 3X S+ 0 0 1 -4,-2.1 4,-2.3 1,-0.2 6,-1.4 0.929 110.8 46.5 -56.9 -47.1 65.8 57.7 12.6 413 442 A D H << S+ 0 0 73 -4,-3.1 -2,-0.2 -3,-0.7 -1,-0.2 0.958 117.2 43.2 -56.8 -55.2 68.1 60.5 12.0 414 443 A K H < S+ 0 0 127 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.973 113.7 48.8 -54.3 -65.4 65.3 63.1 12.4 415 444 A T H < S- 0 0 50 -4,-3.4 -1,-0.2 -5,-0.2 -2,-0.2 0.874 108.2-124.6 -43.8 -49.1 63.7 61.5 15.5 416 445 A G S >X S+ 0 0 18 -4,-2.3 3,-2.7 -5,-0.4 4,-2.0 -0.033 84.0 107.6 127.0 -31.9 67.2 61.2 17.2 417 446 A G H 3> + 0 0 3 1,-0.3 4,-3.9 2,-0.3 5,-0.4 0.864 65.6 76.1 -41.4 -47.2 67.3 57.5 18.0 418 447 A K H 3> S+ 0 0 49 -6,-1.4 4,-0.9 1,-0.2 -1,-0.3 0.808 113.0 25.7 -31.4 -44.5 69.8 57.1 15.2 419 448 A A H <> S+ 0 0 42 -3,-2.7 4,-1.2 -7,-0.3 5,-0.4 0.923 111.5 67.3 -84.9 -62.1 72.1 58.7 17.8 420 449 A D H >X S+ 0 0 32 -4,-2.0 4,-1.7 1,-0.3 3,-0.6 0.825 104.0 50.5 -27.1 -51.5 70.3 57.6 21.0 421 450 A I H >X S+ 0 0 0 -4,-3.9 3,-1.7 1,-0.2 4,-0.8 0.981 97.9 65.0 -53.3 -63.3 71.3 54.2 20.0 422 451 A M H >< S+ 0 0 62 -4,-0.9 3,-0.6 -5,-0.4 -1,-0.2 0.742 110.1 38.1 -29.6 -43.2 75.0 55.0 19.4 423 452 A E H X< S+ 0 0 96 -4,-1.2 3,-3.4 -3,-0.6 -1,-0.3 0.787 98.8 77.6 -85.8 -24.5 75.4 55.8 23.1 424 453 A L H << S+ 0 0 12 -3,-1.7 -1,-0.2 -4,-1.7 -2,-0.2 0.677 81.2 71.0 -56.3 -14.7 73.2 53.0 24.0 425 454 A L T << S+ 0 0 40 -4,-0.8 2,-1.7 -3,-0.6 -1,-0.3 0.740 81.4 75.6 -74.0 -21.3 76.3 51.0 23.2 426 455 A N S < S+ 0 0 138 -3,-3.4 -1,-0.2 -4,-0.1 2,-0.2 -0.533 82.1 139.4 -88.8 66.5 77.8 52.4 26.4 427 456 A H - 0 0 58 -2,-1.7 3,-0.1 1,-0.1 -2,-0.1 -0.585 65.5-137.9-115.6 178.5 75.8 50.2 28.6 428 457 A S S S+ 0 0 99 -2,-0.2 2,-0.6 1,-0.1 -1,-0.1 0.811 90.7 63.7 -94.0 -47.8 75.7 48.1 31.6 429 458 A D S >> S- 0 0 33 1,-0.2 4,-1.8 -41,-0.0 3,-0.8 -0.746 73.0-144.4 -92.9 118.1 73.6 45.3 30.1 430 459 A S H 3> S+ 0 0 73 -2,-0.6 4,-3.8 1,-0.3 -1,-0.2 0.917 98.4 51.6 -34.6 -77.3 75.1 43.3 27.2 431 460 A R H 3> S+ 0 0 97 1,-0.2 4,-4.5 3,-0.2 5,-0.3 0.732 110.8 51.7 -35.6 -40.3 71.9 42.7 25.3 432 461 A V H <> S+ 0 0 2 -3,-0.8 4,-3.6 2,-0.2 5,-0.3 0.997 117.4 32.0 -67.9 -66.5 71.2 46.4 25.4 433 462 A K H X S+ 0 0 57 -4,-1.8 4,-3.1 2,-0.2 6,-0.2 0.974 125.9 52.5 -52.6 -46.0 74.4 48.0 24.2 434 463 A Y H >X>S+ 0 0 109 -4,-3.8 4,-3.0 -5,-0.4 3,-1.8 0.966 110.0 41.0 -48.3 -79.7 74.5 44.8 22.2 435 464 A E H 3X5S+ 0 0 15 -4,-4.5 4,-2.9 1,-0.3 -1,-0.2 0.890 120.6 48.4 -33.9 -51.5 71.0 45.0 20.6 436 465 A A H 3X5S+ 0 0 0 -4,-3.6 4,-0.7 -5,-0.3 -1,-0.3 0.792 113.3 48.1 -56.8 -36.2 71.9 48.7 20.2 437 466 A L H XX5S+ 0 0 58 -4,-3.1 4,-2.7 -3,-1.8 3,-1.6 0.969 112.0 44.9 -69.1 -60.9 75.2 47.6 18.8 438 467 A K H 3X5S+ 0 0 45 -4,-3.0 4,-0.7 1,-0.3 -2,-0.2 0.887 113.6 55.8 -52.4 -33.0 73.7 45.1 16.4 439 468 A A H 3XX S+ 0 0 1 -4,-0.9 3,-3.2 1,-0.2 4,-0.7 0.914 102.9 71.5 -53.1 -54.3 72.8 51.6 10.0 444 473 A I H >< S+ 0 0 91 -4,-2.6 3,-1.4 1,-0.3 4,-0.5 0.848 95.7 52.9 -30.1 -52.6 76.5 52.0 9.5 445 474 A G H 3< S+ 0 0 56 -4,-0.9 3,-0.4 -3,-0.5 -1,-0.3 0.823 113.2 42.3 -58.0 -35.4 76.0 50.1 6.3 446 475 A Y H << S+ 0 0 109 -3,-3.2 -1,-0.3 -4,-0.5 -2,-0.2 0.249 91.2 85.4 -99.2 12.2 73.3 52.5 5.1 447 476 A T S << S+ 0 0 58 -3,-1.4 -1,-0.2 -4,-0.7 -2,-0.1 0.756 89.4 48.0 -84.2 -21.4 74.9 55.7 6.1 448 477 A F 0 0 188 -4,-0.5 -3,-0.0 -3,-0.4 -4,-0.0 0.066 360.0 360.0-103.9-156.3 77.0 56.1 3.0 449 478 A K 0 0 264 -2,-0.0 -1,-0.1 0, 0.0 0, 0.0 0.435 360.0 360.0 -15.4 360.0 77.1 56.1 -0.8