==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER NUCLEOTIDYLTRANSFERASE 12-APR-94 1BPD . COMPND 2 MOLECULE: DNA POLYMERASE BETA; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR M.R.SAWAYA,H.PELLETIER,A.KUMAR,S.H.WILSON,J.KRAUT . 324 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18327.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 242 74.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 8.0 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 . 2 0.6 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 . 25 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 15.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 126 38.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 1 1 2 1 1 0 2 2 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 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 PARALLEL BRIDGES PER LADDER . 0 0 0 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 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 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 9 A E 0 0 243 0, 0.0 4,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-137.1 6.6 -20.7 16.8 2 10 A T - 0 0 112 3,-0.1 4,-0.3 1,-0.1 37,-0.0 0.707 360.0-160.4 13.4 104.4 3.9 -19.2 14.5 3 11 A L S > S+ 0 0 62 1,-0.2 3,-0.7 2,-0.2 4,-0.3 0.885 88.3 42.2 -66.7 -50.9 5.1 -19.0 10.8 4 12 A N T 3> S+ 0 0 2 1,-0.2 4,-2.7 37,-0.2 -1,-0.2 0.578 90.4 100.3 -75.8 -11.5 2.8 -16.4 9.3 5 13 A G H 3> S+ 0 0 10 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.797 75.2 52.8 -42.2 -48.3 3.3 -14.4 12.5 6 14 A G H <> S+ 0 0 41 -3,-0.7 4,-2.6 -4,-0.3 5,-0.3 0.979 111.7 43.6 -55.1 -61.3 5.8 -12.0 11.1 7 15 A I H > S+ 0 0 9 -4,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.892 111.8 55.3 -50.5 -47.0 3.9 -11.0 8.2 8 16 A T H X S+ 0 0 15 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.960 108.2 47.2 -53.9 -56.5 0.8 -10.7 10.3 9 17 A D H >X S+ 0 0 96 -4,-2.6 4,-1.6 1,-0.3 3,-0.6 0.911 111.4 51.3 -49.7 -49.5 2.4 -8.3 12.7 10 18 A M H 3X S+ 0 0 6 -4,-2.6 4,-1.7 1,-0.3 -1,-0.3 0.913 105.9 56.9 -52.6 -47.6 3.8 -6.2 9.9 11 19 A L H 3X S+ 0 0 2 -4,-2.6 4,-1.4 -5,-0.3 -1,-0.3 0.868 103.9 54.3 -56.2 -37.7 0.4 -6.2 8.6 12 20 A V H XX S+ 0 0 63 -4,-1.6 4,-3.1 -3,-0.6 3,-0.6 0.975 108.1 42.7 -64.2 -58.3 -1.0 -4.6 11.8 13 21 A E H 3X S+ 0 0 110 -4,-1.6 4,-2.6 1,-0.3 -1,-0.2 0.922 112.8 55.6 -52.3 -48.2 1.1 -1.6 12.3 14 22 A L H 3X S+ 0 0 9 -4,-1.7 4,-1.2 1,-0.2 -1,-0.3 0.822 113.1 43.2 -48.9 -42.0 0.8 -0.8 8.5 15 23 A A H + 0 0 31 1,-0.2 4,-2.0 2,-0.1 5,-0.1 0.118 24.0 174.0 -32.5 87.9 -9.2 5.7 5.1 25 33 A I H > S+ 0 0 70 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.780 81.0 60.1 -65.8 -25.7 -11.3 3.2 7.1 26 34 A H H > S+ 0 0 142 2,-0.2 4,-1.6 3,-0.2 -1,-0.2 0.853 105.2 41.9 -70.2 -51.7 -11.1 1.1 3.8 27 35 A K H > S+ 0 0 101 2,-0.2 4,-3.3 3,-0.2 5,-0.4 0.973 120.6 44.1 -66.6 -54.3 -7.2 0.8 3.6 28 36 A Y H X S+ 0 0 37 -4,-2.0 4,-4.2 1,-0.2 -2,-0.2 0.953 112.7 50.7 -51.0 -59.1 -7.0 0.1 7.4 29 37 A N H X S+ 0 0 76 -4,-2.7 4,-4.1 1,-0.2 -1,-0.2 0.850 114.8 47.6 -45.1 -44.3 -9.9 -2.4 7.3 30 38 A A H X S+ 0 0 42 -4,-1.6 4,-2.9 2,-0.3 -1,-0.2 0.957 113.2 41.6 -60.7 -62.3 -8.2 -4.0 4.4 31 39 A Y H X S+ 0 0 29 -4,-3.3 4,-1.6 1,-0.2 -2,-0.2 0.890 118.4 54.3 -53.7 -39.4 -4.8 -4.3 5.9 32 40 A R H X S+ 0 0 151 -4,-4.2 4,-1.5 -5,-0.4 3,-0.3 0.958 109.0 44.2 -57.5 -59.5 -6.8 -5.2 9.0 33 41 A K H X S+ 0 0 74 -4,-4.1 4,-3.3 1,-0.2 -2,-0.2 0.827 106.1 60.4 -60.6 -35.2 -8.7 -8.0 7.3 34 42 A A H X S+ 0 0 0 -4,-2.9 4,-4.2 2,-0.2 5,-0.3 0.943 103.8 52.6 -57.7 -44.8 -5.6 -9.5 5.5 35 43 A A H X S+ 0 0 21 -4,-1.6 4,-2.6 -3,-0.3 5,-0.2 0.927 109.2 49.2 -48.1 -54.6 -4.1 -10.1 9.0 36 44 A S H X S+ 0 0 55 -4,-1.5 4,-2.1 1,-0.2 3,-0.4 0.960 113.0 48.9 -50.2 -60.5 -7.1 -11.9 9.9 37 45 A V H X S+ 0 0 14 -4,-3.3 4,-1.3 1,-0.2 -2,-0.3 0.899 110.8 45.7 -55.3 -47.9 -6.9 -13.8 6.9 38 46 A I H < S+ 0 0 3 -4,-4.2 -1,-0.2 1,-0.2 -2,-0.2 0.851 111.4 52.4 -69.1 -27.6 -3.3 -14.8 7.0 39 47 A A H < S+ 0 0 64 -4,-2.6 -1,-0.2 -3,-0.4 -2,-0.2 0.848 104.5 54.8 -70.5 -37.9 -3.5 -15.8 10.7 40 48 A K H < S+ 0 0 158 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.847 97.2 90.7 -60.4 -35.5 -6.4 -18.1 10.1 41 49 A Y < - 0 0 60 -4,-1.3 -37,-0.2 -5,-0.3 4,-0.1 -0.407 67.0-161.4 -66.5 137.6 -4.1 -19.4 7.6 42 50 A P + 0 0 83 0, 0.0 2,-0.4 0, 0.0 -39,-0.1 0.305 55.4 78.3-105.2 -0.6 -1.9 -22.3 8.9 43 51 A H S S- 0 0 120 -40,-0.1 2,-0.4 -39,-0.0 -2,-0.0 -0.901 90.0 -92.2-116.1 153.4 1.1 -22.7 6.6 44 52 A K - 0 0 119 -2,-0.4 2,-0.6 1,-0.1 3,-0.1 -0.367 43.8-123.9 -60.1 113.9 4.2 -20.7 6.5 45 53 A I - 0 0 12 -2,-0.4 3,-0.1 1,-0.2 -1,-0.1 -0.479 29.2-172.2 -61.9 111.8 3.4 -18.2 4.0 46 54 A K - 0 0 173 -2,-0.6 2,-0.3 1,-0.3 -1,-0.2 0.804 66.3 -9.0 -76.4 -35.2 6.3 -18.8 1.6 47 55 A S >> - 0 0 29 -3,-0.1 4,-2.2 1,-0.0 3,-1.0 -0.923 58.5-121.3-168.1 140.2 5.6 -15.8 -0.6 48 56 A G H 3> S+ 0 0 0 14,-0.3 4,-2.5 -2,-0.3 14,-0.2 0.686 109.1 75.5 -54.8 -18.7 2.9 -13.2 -1.1 49 57 A A H >> S+ 0 0 68 2,-0.2 4,-0.7 1,-0.2 3,-0.6 0.983 103.1 34.3 -56.3 -58.6 2.7 -14.6 -4.5 50 58 A E H X> S+ 0 0 81 -3,-1.0 3,-2.3 1,-0.3 4,-0.7 0.945 113.2 65.4 -56.4 -49.1 0.9 -17.6 -3.2 51 59 A A H >< S+ 0 0 6 -4,-2.2 3,-1.3 1,-0.3 -1,-0.3 0.774 87.8 65.3 -42.4 -43.0 -0.6 -15.3 -0.8 52 60 A K H << S+ 0 0 42 -4,-2.5 -1,-0.3 -3,-0.6 -2,-0.2 0.862 91.0 64.8 -52.4 -40.0 -2.4 -13.5 -3.5 53 61 A K H << S+ 0 0 202 -3,-2.3 -1,-0.3 -4,-0.7 -2,-0.2 0.819 89.3 95.1 -51.4 -34.3 -4.4 -16.7 -4.2 54 62 A L S << S- 0 0 36 -3,-1.3 -16,-0.1 -4,-0.7 -17,-0.0 -0.226 88.1 -99.3 -64.8 149.9 -5.7 -16.1 -0.9 55 63 A P S S+ 0 0 82 0, 0.0 2,-2.8 0, 0.0 -1,-0.1 -0.202 101.7 9.9 -63.8 152.3 -9.0 -14.3 -0.2 56 64 A G S S+ 0 0 51 1,-0.2 2,-1.0 -19,-0.0 -22,-0.2 0.113 101.0 113.0 63.5 -34.6 -9.1 -10.6 0.8 57 65 A V - 0 0 8 -2,-2.8 -1,-0.2 -6,-0.2 2,-0.1 -0.677 56.1-169.5 -78.2 107.1 -5.5 -10.7 -0.0 58 66 A G > - 0 0 30 -2,-1.0 4,-1.6 -3,-0.1 -4,-0.1 -0.301 38.5 -89.7 -91.7 172.4 -5.4 -8.5 -3.0 59 67 A T H > S+ 0 0 132 1,-0.2 4,-1.2 2,-0.2 -7,-0.1 0.880 124.0 51.9 -49.5 -50.7 -2.8 -7.7 -5.5 60 68 A K H >> S+ 0 0 65 2,-0.2 4,-2.0 1,-0.2 3,-1.1 0.952 104.6 53.1 -49.3 -68.0 -1.4 -4.9 -3.4 61 69 A I H 3> S+ 0 0 14 1,-0.3 4,-4.1 2,-0.2 -1,-0.2 0.856 103.7 56.9 -32.6 -63.3 -1.0 -6.7 -0.1 62 70 A A H 3X S+ 0 0 8 -4,-1.6 4,-4.7 1,-0.3 -14,-0.3 0.829 106.6 49.4 -41.1 -49.9 1.0 -9.4 -1.6 63 71 A E H X S+ 0 0 83 -4,-4.5 4,-2.1 -5,-0.2 3,-0.6 0.963 115.8 39.6 -60.9 -46.3 8.4 -6.7 -0.1 68 76 A F H 3< S+ 0 0 49 -4,-2.1 -2,-0.2 -5,-0.3 -1,-0.2 0.792 111.5 56.5 -66.1 -36.1 8.4 -7.4 3.6 69 77 A L H 3< S+ 0 0 61 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.626 118.8 37.9 -69.3 -18.2 9.0 -11.1 3.0 70 78 A A H << S+ 0 0 76 -4,-0.9 2,-0.5 -3,-0.6 -2,-0.2 0.822 121.6 30.1 -93.5 -89.6 12.0 -9.9 1.2 71 79 A T S < S- 0 0 83 -4,-2.1 2,-5.2 2,-0.2 -1,-0.4 -0.703 92.4-116.3 -79.2 122.7 13.6 -6.9 2.8 72 80 A G S S+ 0 0 77 -2,-0.5 2,-0.3 -3,-0.1 -4,-0.1 -0.026 96.8 39.0 -57.8 44.3 12.9 -7.4 6.6 73 81 A K S S- 0 0 34 -2,-5.2 2,-0.4 -6,-0.3 -2,-0.2 -0.955 82.7-113.9-174.8 175.8 11.0 -4.2 6.3 74 82 A L > - 0 0 3 -2,-0.3 4,-4.3 1,-0.2 5,-0.2 -0.995 12.1-145.7-133.3 126.2 8.7 -2.3 4.1 75 83 A R H > S+ 0 0 205 -2,-0.4 4,-0.5 2,-0.3 -1,-0.2 0.949 104.6 46.4 -54.3 -55.0 9.6 1.0 2.4 76 84 A K H >4 S+ 0 0 115 1,-0.2 3,-0.5 2,-0.2 -1,-0.2 0.848 119.2 47.0 -54.4 -32.8 6.1 2.5 2.6 77 85 A L H >4 S+ 0 0 40 1,-0.2 3,-2.0 2,-0.1 -2,-0.3 0.923 90.3 78.0 -72.2 -50.5 6.3 1.3 6.1 78 86 A E H >X + 0 0 85 -4,-4.3 3,-1.0 1,-0.3 4,-0.9 0.547 67.4 90.9 -37.4 -19.6 9.8 2.6 6.9 79 87 A K H < - 0 0 105 -4,-3.8 3,-1.9 3,-0.1 4,-0.3 0.677 42.6-133.4 61.0 11.8 8.0 10.3 11.4 84 92 A D T >> S+ 0 0 54 -5,-0.3 3,-1.1 1,-0.3 4,-0.9 -0.133 79.6 5.5 43.7-120.0 9.3 13.1 9.1 85 93 A T H 3> S+ 0 0 42 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.824 124.5 67.8 -58.6 -37.2 8.8 16.5 10.9 86 94 A S H <> S+ 0 0 60 -3,-1.9 4,-1.0 1,-0.2 -1,-0.2 0.731 96.2 54.2 -58.0 -25.5 7.5 14.8 14.2 87 95 A S H <> S+ 0 0 53 -3,-1.1 4,-1.6 -5,-0.4 3,-0.3 0.943 107.0 53.0 -68.6 -49.1 11.0 13.3 14.8 88 96 A S H X S+ 0 0 10 -4,-0.9 4,-4.3 2,-0.2 5,-0.3 0.761 96.4 66.8 -53.6 -37.5 12.4 16.8 14.5 89 97 A I H X S+ 0 0 43 -4,-1.4 4,-2.6 1,-0.2 -1,-0.2 0.966 109.4 36.8 -49.6 -61.4 9.9 18.2 17.1 90 98 A N H X S+ 0 0 99 -4,-1.0 4,-1.0 -3,-0.3 -1,-0.2 0.787 116.0 56.6 -62.4 -32.0 11.6 16.2 19.8 91 99 A F H >X S+ 0 0 48 -4,-1.6 3,-1.3 1,-0.2 4,-0.5 0.990 110.2 42.8 -64.2 -54.9 14.9 16.9 18.2 92 100 A L H >< S+ 0 0 0 -4,-4.3 3,-2.4 1,-0.3 6,-0.3 0.877 104.0 66.7 -55.6 -41.5 14.4 20.5 18.3 93 101 A T H 3< S+ 0 0 77 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.803 86.5 70.4 -51.6 -32.6 13.1 20.3 21.8 94 102 A R H << S+ 0 0 129 -3,-1.3 -1,-0.3 -4,-1.0 -2,-0.2 0.858 83.6 94.4 -55.6 -35.3 16.5 19.2 22.9 95 103 A V S X< S- 0 0 6 -3,-2.4 2,-1.0 -4,-0.5 3,-0.9 -0.362 82.6-120.5 -71.3 138.8 17.5 22.8 22.2 96 104 A T T 3 S+ 0 0 30 1,-0.2 35,-1.0 32,-0.1 36,-0.3 -0.716 102.1 32.7 -85.0 103.3 17.6 25.3 24.9 97 105 A G T 3 S+ 0 0 22 -2,-1.0 2,-0.3 1,-0.4 31,-0.2 -0.323 98.1 103.2 145.5 -34.3 15.3 28.1 24.0 98 106 A I < + 0 0 18 -3,-0.9 -1,-0.4 -6,-0.3 3,-0.0 -0.574 39.5 166.0 -83.0 137.3 12.8 25.9 22.2 99 107 A G > - 0 0 22 -2,-0.3 4,-4.3 -3,-0.1 5,-0.2 -0.823 53.7 -66.1-137.9 166.8 9.5 24.7 23.5 100 108 A P H > S+ 0 0 110 0, 0.0 4,-3.1 0, 0.0 5,-0.1 0.748 129.8 24.6 -22.2 -77.0 6.4 23.2 21.9 101 109 A S H > S+ 0 0 55 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.972 122.5 56.4 -61.4 -52.3 5.0 25.9 19.6 102 110 A A H > S+ 0 0 17 1,-0.3 4,-1.2 2,-0.2 -1,-0.2 0.884 113.7 40.8 -41.6 -53.7 8.4 27.5 19.3 103 111 A A H >X S+ 0 0 3 -4,-4.3 4,-1.5 1,-0.2 3,-1.1 0.967 107.1 62.0 -61.2 -55.3 9.8 24.3 18.1 104 112 A R H 3X S+ 0 0 170 -4,-3.1 4,-1.5 1,-0.3 -2,-0.2 0.783 104.6 52.3 -37.0 -44.7 6.7 23.5 15.9 105 113 A K H 3< S+ 0 0 114 -4,-2.2 4,-0.5 2,-0.2 6,-0.3 0.825 101.1 55.0 -66.2 -42.4 7.5 26.7 13.9 106 114 A L H XX>S+ 0 0 12 -4,-1.2 5,-3.9 -3,-1.1 4,-1.2 0.939 108.2 48.5 -63.2 -44.9 11.1 26.2 13.0 107 115 A V H ><5S+ 0 0 5 -4,-1.5 3,-1.8 1,-0.3 5,-0.3 0.962 108.4 52.5 -58.4 -53.3 10.6 22.9 11.4 108 116 A D T 3<5S+ 0 0 138 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.557 105.2 58.4 -59.9 -7.7 7.7 24.1 9.4 109 117 A E T <45S- 0 0 144 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.755 135.2 -97.4 -85.2 -32.7 10.1 26.8 8.3 110 118 A G T <<5S+ 0 0 46 -3,-1.8 2,-1.4 -4,-1.2 3,-0.4 0.209 91.1 130.4 126.1 4.6 12.1 24.0 7.1 111 119 A I < + 0 0 0 -5,-3.9 -4,-0.2 -6,-0.3 -3,-0.2 -0.432 14.7 130.6 -84.0 59.6 14.1 24.2 10.3 112 120 A K + 0 0 79 -2,-1.4 2,-0.2 -5,-0.3 -1,-0.2 0.864 63.1 56.7 -77.1 -40.6 14.0 20.5 11.4 113 121 A T S >> S- 0 0 68 -3,-0.4 3,-1.3 1,-0.1 4,-1.3 -0.644 83.6-119.7-101.5 156.4 17.8 20.2 12.0 114 122 A L H 3> S+ 0 0 51 1,-0.3 4,-2.1 -2,-0.2 -1,-0.1 0.870 113.6 67.8 -49.8 -39.9 20.4 22.0 14.1 115 123 A E H 34 S+ 0 0 50 2,-0.2 4,-0.4 1,-0.2 -1,-0.3 0.853 98.9 46.9 -49.5 -46.4 22.0 22.8 10.8 116 124 A D H X> S+ 0 0 45 -3,-1.3 3,-3.2 1,-0.2 4,-1.8 0.997 111.3 49.0 -58.1 -65.0 19.1 25.1 9.8 117 125 A L H 3< S+ 0 0 5 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.746 97.4 73.0 -44.3 -33.9 19.0 26.9 13.0 118 126 A R T 3< S+ 0 0 75 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.690 112.7 27.6 -57.0 -21.9 22.8 27.3 12.7 119 127 A K T <4 S+ 0 0 162 -3,-3.2 2,-2.3 -4,-0.4 3,-0.4 0.800 112.9 64.7 -96.9 -63.5 22.1 29.8 10.1 120 128 A N >X + 0 0 47 -4,-1.8 3,-1.8 1,-0.2 4,-0.5 0.046 59.9 141.3 -56.2 26.3 18.6 31.0 11.3 121 129 A E G >4 S+ 0 0 124 -2,-2.3 3,-0.5 1,-0.3 -1,-0.2 0.803 73.3 52.1 -36.0 -43.9 20.3 32.4 14.5 122 130 A D G 34 S+ 0 0 120 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.752 92.7 68.7 -62.2 -41.4 17.8 35.4 14.1 123 131 A K G <4 S+ 0 0 52 -3,-1.8 -1,-0.2 -6,-0.1 -2,-0.2 0.568 106.0 56.8 -62.8 -11.6 14.8 33.1 13.9 124 132 A L S << S- 0 0 18 -4,-0.5 2,-0.3 -3,-0.5 -27,-0.0 -0.412 82.8-129.3-108.0-174.4 15.7 32.5 17.4 125 133 A N > - 0 0 78 -2,-0.2 4,-3.4 0, 0.0 5,-0.2 -0.752 45.9 -79.2-132.5 169.5 16.2 34.8 20.4 126 134 A H H > S+ 0 0 108 -2,-0.3 4,-2.0 2,-0.2 5,-0.2 0.801 130.9 48.2 -44.8 -40.8 19.0 35.1 22.8 127 135 A H H > S+ 0 0 45 2,-0.2 4,-2.2 1,-0.2 3,-0.2 1.000 112.9 46.1 -62.4 -64.6 17.8 32.1 24.7 128 136 A Q H > S+ 0 0 20 1,-0.2 4,-2.0 -31,-0.2 -2,-0.2 0.835 112.1 55.0 -44.6 -42.1 17.4 29.9 21.7 129 137 A R H X S+ 0 0 98 -4,-3.4 4,-2.7 1,-0.2 -1,-0.2 0.970 106.4 46.4 -58.5 -58.0 20.7 31.1 20.5 130 138 A I H X S+ 0 0 5 -4,-2.0 4,-1.0 -3,-0.2 -2,-0.2 0.899 108.4 57.6 -49.7 -51.9 22.7 30.2 23.4 131 139 A G H >X S+ 0 0 0 -4,-2.2 3,-1.0 -35,-1.0 4,-0.8 0.910 112.4 40.9 -44.7 -57.6 21.2 26.8 23.6 132 140 A L H >< S+ 0 0 15 -4,-2.0 3,-2.8 -36,-0.3 4,-0.4 0.980 106.3 61.4 -53.9 -67.0 22.2 26.0 20.2 133 141 A K H 3< S+ 0 0 109 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.584 123.3 21.5 -40.2 -17.9 25.6 27.5 20.4 134 142 A Y H XX S+ 0 0 39 -3,-1.0 4,-1.5 -4,-1.0 3,-1.1 0.358 80.8 130.9-138.6 9.8 26.6 25.1 23.1 135 143 A F H 4 S+ 0 0 68 -4,-0.4 3,-1.9 1,-0.3 4,-0.5 0.897 104.9 44.0 -48.2 -56.4 26.7 19.7 22.8 137 145 A D H X4 S+ 0 0 31 -3,-1.1 3,-1.2 1,-0.3 -1,-0.3 0.816 103.6 71.9 -62.2 -28.3 28.1 20.3 26.2 138 146 A F H 3< S+ 0 0 45 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.3 0.827 102.7 37.9 -57.3 -29.3 24.5 20.6 27.0 139 147 A E T << S+ 0 0 96 -3,-1.9 2,-1.3 -4,-0.8 -1,-0.3 0.434 89.6 104.4-102.3 3.1 24.3 16.9 26.5 140 148 A K S < S- 0 0 113 -3,-1.2 -1,-0.1 -4,-0.5 -3,-0.0 -0.741 74.6-130.5 -89.5 92.2 27.6 16.0 28.1 141 149 A R - 0 0 154 -2,-1.3 40,-0.2 1,-0.1 -2,-0.1 0.088 23.4-118.3 -40.1 145.0 26.6 14.7 31.5 142 150 A I - 0 0 6 38,-1.9 2,-0.4 40,-0.0 38,-0.1 -0.452 19.2-131.5 -90.2 165.5 28.5 16.2 34.5 143 151 A P >> - 0 0 46 0, 0.0 4,-3.4 0, 0.0 3,-1.1 -0.947 17.6-122.7-126.2 138.9 30.7 14.5 36.9 144 152 A R H 3> S+ 0 0 64 34,-1.3 4,-2.6 -2,-0.4 5,-0.3 0.743 110.7 58.6 -46.1 -36.1 30.8 14.7 40.6 145 153 A E H 3> S+ 0 0 165 2,-0.2 4,-1.4 33,-0.2 -1,-0.3 0.934 115.3 37.6 -64.0 -40.1 34.4 15.8 40.6 146 154 A E H <> S+ 0 0 39 -3,-1.1 4,-2.6 2,-0.2 5,-0.4 0.982 115.0 55.6 -64.5 -59.4 33.3 18.7 38.6 147 155 A M H X S+ 0 0 2 -4,-3.4 4,-3.8 1,-0.3 -2,-0.2 0.823 106.9 46.0 -37.9 -59.8 30.2 19.1 40.3 148 156 A L H X S+ 0 0 65 -4,-2.6 4,-3.3 2,-0.2 -1,-0.3 0.920 112.1 57.9 -56.0 -43.7 31.6 19.4 43.8 149 157 A Q H X S+ 0 0 106 -4,-1.4 4,-1.5 -5,-0.3 -2,-0.3 0.956 112.6 34.4 -53.2 -60.8 34.0 21.7 42.2 150 158 A M H X S+ 0 0 4 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.878 115.4 64.2 -62.8 -32.9 31.4 24.1 40.9 151 159 A Q H X S+ 0 0 48 -4,-3.8 4,-1.6 -5,-0.4 5,-0.3 0.948 100.0 47.0 -50.8 -60.1 29.5 23.3 44.0 152 160 A D H X S+ 0 0 110 -4,-3.3 4,-2.6 1,-0.2 5,-0.2 0.916 107.3 59.4 -46.8 -56.0 31.9 24.7 46.4 153 161 A I H X S+ 0 0 33 -4,-1.5 4,-3.6 -5,-0.2 -1,-0.2 0.888 106.7 43.6 -40.9 -63.2 32.3 27.9 44.5 154 162 A V H X S+ 0 0 8 -4,-1.8 4,-2.4 1,-0.2 5,-0.2 0.936 115.0 45.6 -49.3 -64.1 28.8 29.0 44.6 155 163 A L H X S+ 0 0 52 -4,-1.6 4,-0.9 1,-0.2 -1,-0.2 0.778 118.1 46.8 -54.2 -33.0 28.0 28.2 48.2 156 164 A N H >X S+ 0 0 59 -4,-2.6 4,-1.1 -5,-0.3 3,-0.9 0.985 108.2 53.2 -73.1 -57.9 31.2 29.8 49.1 157 165 A E H 3X S+ 0 0 31 -4,-3.6 4,-1.1 1,-0.3 3,-0.3 0.777 102.5 57.1 -40.9 -48.3 30.8 32.9 47.0 158 166 A V H >X S+ 0 0 7 -4,-2.4 3,-1.4 1,-0.3 4,-1.4 0.937 102.8 57.0 -54.4 -48.0 27.5 33.7 48.3 159 167 A K H << S+ 0 0 138 -4,-0.9 -1,-0.3 -3,-0.9 -2,-0.2 0.845 96.1 62.3 -51.2 -43.3 29.1 33.7 51.8 160 168 A K H 3< S+ 0 0 142 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.841 108.9 47.0 -53.6 -32.2 31.6 36.4 50.6 161 169 A L H << S- 0 0 44 -3,-1.4 -2,-0.2 -4,-1.1 -1,-0.2 0.997 139.1 -30.3 -70.0 -68.3 28.6 38.4 50.2 162 170 A D >< - 0 0 66 -4,-1.4 3,-0.8 3,-0.0 -1,-0.2 -0.829 50.5-143.9-160.0 111.8 26.5 37.9 53.4 163 171 A P T 3 S+ 0 0 96 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.489 91.1 80.7 -60.0 -7.7 26.8 34.6 55.4 164 172 A E T 3 S+ 0 0 118 -5,-0.1 2,-0.3 2,-0.1 -5,-0.0 0.084 73.6 103.7 -87.5 19.7 23.1 34.8 56.3 165 173 A Y < - 0 0 18 -3,-0.8 2,-0.7 24,-0.1 24,-0.2 -0.798 66.7-141.9-100.6 138.0 22.4 33.4 52.9 166 174 A I E -A 188 0A 49 22,-3.0 22,-0.7 -2,-0.3 2,-0.2 -0.852 18.4-175.7-112.2 109.6 21.4 29.7 52.5 167 175 A A E +A 187 0A 19 -2,-0.7 2,-0.2 20,-0.2 20,-0.2 -0.618 7.7 167.1 -95.6 162.1 22.8 27.9 49.6 168 176 A T E -A 186 0A 28 18,-0.7 18,-1.7 -2,-0.2 2,-0.6 -0.645 24.9-145.5-168.0 104.0 21.9 24.3 48.8 169 177 A V E +A 185 0A 7 16,-0.2 16,-0.2 -2,-0.2 2,-0.1 -0.648 28.5 175.9 -86.3 132.5 22.5 22.5 45.8 170 178 A C + 0 0 0 14,-2.5 3,-0.4 -2,-0.6 14,-0.4 -0.071 26.8 80.7-105.1-154.6 19.8 20.1 45.0 171 179 A G S > S- 0 0 16 91,-1.4 3,-5.8 1,-0.2 5,-0.3 0.306 102.3 -34.7 67.5 156.4 18.9 17.7 42.2 172 180 A S T 3>>S+ 0 0 22 1,-0.4 5,-1.7 2,-0.2 4,-0.6 0.503 132.5 68.3 -7.8 -43.6 20.3 14.2 41.6 173 181 A F T >45S+ 0 0 12 -3,-0.4 3,-1.0 9,-0.2 -1,-0.4 0.865 96.4 51.2 -54.2 -44.7 23.5 15.4 42.9 174 182 A R T <45S+ 0 0 62 -3,-5.8 -1,-0.2 1,-0.3 -2,-0.2 0.961 103.5 55.4 -62.8 -47.0 22.0 15.7 46.2 175 183 A R T 345S- 0 0 64 88,-0.4 -1,-0.3 -4,-0.2 -2,-0.2 0.606 129.5-100.5 -57.7 -11.3 20.7 12.2 46.3 176 184 A G T <<5 + 0 0 33 -3,-1.0 -3,-0.2 -4,-0.6 -2,-0.2 0.809 60.8 171.6 92.5 44.2 24.3 11.3 45.6 177 185 A A < - 0 0 23 -5,-1.7 3,-0.2 -6,-0.2 -1,-0.1 -0.316 34.1-143.5 -76.3 166.3 24.2 10.7 41.8 178 186 A E S S+ 0 0 139 1,-0.3 -34,-1.3 -35,-0.1 2,-0.3 0.621 94.3 39.0-102.6 -11.9 27.5 10.2 40.0 179 187 A S S S- 0 0 53 -36,-0.2 -1,-0.3 -35,-0.1 2,-0.2 -0.865 71.0-178.0-138.4 96.1 26.2 12.1 37.0 180 188 A S - 0 0 1 -2,-0.3 -38,-1.9 -3,-0.2 3,-0.1 -0.544 17.4-151.2 -89.9 165.2 24.0 15.1 37.6 181 189 A G S S+ 0 0 30 1,-0.3 63,-0.5 -40,-0.2 2,-0.3 0.678 71.7 0.6-105.9 -28.4 22.4 17.1 34.5 182 190 A D S S- 0 0 80 61,-0.1 2,-0.7 -40,-0.0 -1,-0.3 -0.899 72.6-104.2-151.1 174.5 22.1 20.6 35.9 183 191 A M E - b 0 245A 2 61,-0.9 2,-1.9 -2,-0.3 63,-1.8 -0.717 30.9-170.0-110.4 81.0 22.9 22.6 39.0 184 192 A D E - b 0 246A 16 -2,-0.7 -14,-2.5 -14,-0.4 2,-0.5 -0.446 10.7-174.8 -76.3 89.6 19.7 23.3 40.7 185 193 A V E -Ab 169 247A 5 61,-2.0 63,-3.6 -2,-1.9 2,-0.4 -0.705 10.2-160.8 -91.0 130.4 20.6 25.7 43.3 186 194 A L E -Ab 168 248A 0 -18,-1.7 -18,-0.7 -2,-0.5 2,-0.3 -0.843 15.2-172.2-105.0 139.3 18.1 26.8 45.9 187 195 A L E +Ab 167 249A 3 61,-1.7 63,-3.7 -2,-0.4 2,-0.3 -0.959 12.1 151.5-136.3 151.3 18.7 30.0 47.7 188 196 A T E -A 166 0A 0 -22,-0.7 -22,-3.0 -2,-0.3 5,-0.1 -0.982 17.2-166.9-164.9 174.5 17.3 32.0 50.5 189 197 A H > - 0 0 5 61,-0.5 3,-2.5 3,-0.4 63,-0.2 -0.671 38.7-108.6-178.8 119.8 17.8 34.4 53.3 190 198 A P T 3 S+ 0 0 30 0, 0.0 -25,-0.1 0, 0.0 63,-0.0 0.524 109.3 70.7 -22.8 -29.2 15.7 35.5 56.3 191 199 A N T 3 S+ 0 0 112 1,-0.2 2,-0.7 8,-0.0 -3,-0.0 0.951 93.7 60.9 -63.0 -42.4 15.0 38.9 54.9 192 200 A F < + 0 0 16 -3,-2.5 60,-2.1 58,-0.1 -3,-0.4 -0.754 66.5 153.9 -88.8 110.8 12.7 37.3 52.3 193 201 A T > - 0 0 39 -2,-0.7 3,-2.5 58,-0.2 -2,-0.0 -0.822 63.4 -90.3-128.5 166.9 9.7 35.5 53.8 194 202 A S T 3 S+ 0 0 54 -2,-0.3 -2,-0.0 1,-0.3 0, 0.0 0.640 130.8 53.6 -55.0 -12.9 6.3 34.9 52.3 195 203 A E T 3 S+ 0 0 191 2,-0.0 -1,-0.3 0, 0.0 -3,-0.1 0.640 93.9 105.4 -93.2 -18.0 5.2 38.1 53.8 196 204 A S S < S- 0 0 28 -3,-2.5 -4,-0.1 1,-0.1 3,-0.1 -0.030 74.5-107.4 -62.4 161.7 8.1 39.9 52.1 197 205 A S - 0 0 73 1,-0.2 2,-0.3 2,-0.0 -1,-0.1 -0.308 58.9 -67.8 -81.5 169.2 8.1 42.2 49.1 198 206 A K - 0 0 124 1,-0.1 -1,-0.2 -2,-0.1 27,-0.0 -0.498 57.0-165.8 -61.9 118.8 9.4 41.1 45.8 199 207 A Q > + 0 0 60 -2,-0.3 3,-3.0 1,-0.2 4,-0.3 0.021 27.3 151.5-104.0 29.1 13.1 40.8 46.7 200 208 A P T 3> + 0 0 41 0, 0.0 4,-3.4 0, 0.0 5,-0.2 0.683 65.0 63.5 -19.5 -64.5 15.0 40.6 43.4 201 209 A K H 3> S+ 0 0 139 2,-0.2 4,-3.6 1,-0.2 5,-0.2 0.709 96.2 62.8 -44.6 -27.3 18.3 42.2 44.5 202 210 A L H X> S+ 0 0 25 -3,-3.0 4,-1.3 2,-0.2 3,-0.6 0.987 113.3 29.5 -59.5 -76.8 18.8 39.4 46.9 203 211 A L H 3> S+ 0 0 1 -4,-0.3 4,-1.8 1,-0.3 -2,-0.2 0.852 121.9 58.6 -48.5 -41.9 19.0 36.7 44.4 204 212 A H H 3X S+ 0 0 20 -4,-3.4 4,-1.9 2,-0.2 5,-0.3 0.904 95.0 59.8 -57.4 -50.7 20.4 39.2 42.0 205 213 A R H S+ 0 0 2 -4,-2.7 5,-2.9 1,-0.3 6,-1.2 0.859 114.8 50.1 -52.2 -36.3 28.9 34.7 40.1 211 219 A Q H ><5S+ 0 0 54 -4,-3.0 3,-0.9 -5,-0.3 -1,-0.3 0.900 107.3 54.7 -66.8 -41.2 29.0 36.5 36.8 212 220 A K H 3<5S+ 0 0 66 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.928 106.7 47.6 -55.3 -54.0 31.7 38.8 38.3 213 221 A V T 3<5S- 0 0 60 -4,-2.6 -1,-0.3 1,-0.1 -2,-0.2 0.527 117.8-115.1 -67.4 -8.6 34.0 36.1 39.3 214 222 A R T < 5S+ 0 0 206 -3,-0.9 -3,-0.2 -5,-0.3 -2,-0.1 0.907 83.7 120.5 73.0 42.4 33.5 34.6 35.9 215 223 A F < + 0 0 6 -5,-2.9 17,-1.2 -6,-0.2 2,-0.4 0.583 69.8 65.8-104.1 -18.6 31.8 31.4 36.9 216 224 A I E +C 231 0A 5 -6,-1.2 15,-0.3 15,-0.2 -1,-0.1 -0.896 56.6 176.7-106.9 130.9 28.9 32.5 34.8 217 225 A T E + 0 0 56 13,-2.9 2,-0.3 -2,-0.4 14,-0.2 0.685 66.9 1.3-105.7 -28.6 29.1 32.8 31.1 218 226 A D E -C 230 0A 26 12,-0.9 12,-2.4 -88,-0.0 2,-0.6 -0.987 61.7-128.3-156.7 155.2 25.7 33.8 29.9 219 227 A T E -C 229 0A 38 -2,-0.3 10,-0.3 10,-0.2 3,-0.2 -0.939 15.7-173.5-109.9 118.9 22.4 34.5 31.5 220 228 A L E S- 0 0 18 8,-1.8 9,-0.2 -2,-0.6 2,-0.2 0.955 79.3 -4.4 -76.0 -45.8 19.5 32.6 30.0 221 229 A S E -C 228 0A 52 7,-2.1 7,-0.8 -94,-0.1 2,-0.8 -0.637 61.4-163.0-146.3 87.9 16.7 34.4 31.9 222 230 A K E +C 227 0A 82 -3,-0.2 5,-0.2 -2,-0.2 2,-0.2 -0.613 32.6 156.0 -75.4 120.0 17.5 36.9 34.5 223 231 A G - 0 0 27 3,-1.3 -2,-0.0 -2,-0.8 4,-0.0 -0.435 51.2-103.7-121.8-165.7 14.3 37.1 36.3 224 232 A E S S+ 0 0 111 -2,-0.2 -21,-0.2 -21,-0.0 -20,-0.2 0.845 112.0 17.8 -98.4 -41.1 13.4 38.2 39.8 225 233 A T S S+ 0 0 71 1,-0.2 24,-1.3 -22,-0.1 2,-0.3 0.868 130.2 40.6 -93.2 -38.0 12.8 35.0 41.7 226 234 A K E - D 0 248A 82 22,-0.2 -3,-1.3 -5,-0.0 2,-0.4 -0.814 59.3-170.3-113.7 150.8 14.5 32.7 39.3 227 235 A F E -CD 222 247A 1 20,-1.6 20,-2.0 -2,-0.3 2,-0.5 -0.983 2.8-168.2-140.5 123.3 17.6 32.9 37.2 228 236 A M E +CD 221 246A 27 -7,-0.8 -7,-2.1 -2,-0.4 -8,-1.8 -0.937 31.4 123.4-112.7 134.3 18.6 30.5 34.5 229 237 A G E -CD 219 245A 0 16,-2.9 16,-1.8 -2,-0.5 2,-0.4 -0.888 46.3 -86.4-163.9-164.6 22.1 30.7 33.2 230 238 A V E +CD 218 244A 0 -12,-2.4 -13,-2.9 -2,-0.3 -12,-0.9 -0.961 26.2 174.0-133.0 147.4 25.4 29.1 32.4 231 239 A C E -CD 216 243A 0 12,-2.0 12,-2.1 -2,-0.4 2,-0.3 -0.712 4.2-174.4-132.6-180.0 28.6 28.5 34.1 232 240 A Q E - D 0 242A 48 -17,-1.2 10,-0.2 -2,-0.2 -2,-0.0 -0.891 33.9 -84.3-176.4 148.0 31.8 26.7 33.4 233 241 A L - 0 0 11 8,-0.7 7,-0.1 -2,-0.3 -87,-0.0 -0.211 43.1-100.2 -68.9 154.0 34.9 25.9 35.2 234 242 A P - 0 0 75 0, 0.0 6,-0.2 0, 0.0 -1,-0.1 -0.346 47.7-137.4 -63.0 146.4 37.9 28.0 35.7 235 243 A S + 0 0 70 1,-0.1 0, 0.0 4,-0.1 0, 0.0 -0.341 40.9 158.1-106.1-172.8 40.8 27.2 33.3 236 244 A E 0 0 110 -2,-0.1 -1,-0.1 0, 0.0 0, 0.0 0.053 360.0 360.0-166.9 -56.7 44.6 26.6 33.0 237 245 A N 0 0 134 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.707 360.0 360.0-115.8 360.0 45.3 24.5 29.9 238 ! 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 0.0 239 249 A E 0 0 114 0, 0.0 -4,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 158.7 38.9 23.3 28.9 240 250 A Y - 0 0 110 -6,-0.2 -7,-0.1 1,-0.1 -5,-0.0 -0.480 360.0-114.5 -69.0 135.1 35.9 22.0 30.8 241 251 A P - 0 0 28 0, 0.0 -8,-0.7 0, 0.0 2,-0.3 0.248 32.6 -85.2 -58.9-170.4 32.5 22.6 29.0 242 252 A H E - D 0 232A 16 -108,-0.2 2,-0.3 -10,-0.2 -10,-0.2 -0.736 41.1-164.6-100.1 144.3 29.6 24.7 30.0 243 253 A R E - D 0 231A 16 -12,-2.1 -12,-2.0 -2,-0.3 -61,-0.1 -0.928 20.3-106.1-131.9 155.5 26.9 23.5 32.4 244 254 A R E + D 0 230A 43 -63,-0.5 -61,-0.9 -2,-0.3 2,-0.4 -0.360 34.9 177.5 -79.9 159.0 23.5 24.7 33.3 245 255 A I E -bD 183 229A 0 -16,-1.8 -16,-2.9 -63,-0.2 2,-0.5 -0.978 14.7-166.6-159.2 143.7 22.6 26.3 36.3 246 256 A D E -bD 184 228A 16 -63,-1.8 -61,-2.0 -2,-0.4 2,-0.7 -0.973 9.4-155.1-139.2 124.8 19.7 27.7 37.8 247 257 A I E -bD 185 227A 6 -20,-2.0 -20,-1.6 -2,-0.5 2,-0.4 -0.886 17.5-167.0 -99.7 113.9 19.7 29.9 40.8 248 258 A R E -bD 186 226A 69 -63,-3.6 -61,-1.7 -2,-0.7 2,-0.5 -0.834 7.0-151.9-103.8 141.2 16.4 29.7 42.5 249 259 A L E +b 187 0A 10 -24,-1.3 -61,-0.2 -2,-0.4 -63,-0.1 -0.949 19.8 173.8-115.5 125.8 15.3 32.1 45.2 250 260 A I - 0 0 30 -63,-3.7 -61,-0.5 -2,-0.5 -58,-0.1 -0.956 36.1-101.0-134.0 153.8 12.9 31.1 47.9 251 261 A P >> - 0 0 12 0, 0.0 4,-2.3 0, 0.0 3,-1.9 -0.381 33.6-122.6 -66.3 143.6 11.5 32.5 51.0 252 262 A K T 34 S+ 0 0 85 -60,-2.1 4,-0.3 1,-0.3 -59,-0.1 0.665 110.2 58.3 -63.3 -16.7 13.0 31.1 54.2 253 263 A D T 34 S+ 0 0 70 -61,-0.3 -1,-0.3 1,-0.1 50,-0.2 0.338 118.8 28.1 -98.9 14.5 9.7 29.9 55.4 254 264 A Q T <> S+ 0 0 51 -3,-1.9 4,-2.0 2,-0.1 -2,-0.2 0.412 90.0 100.0-137.3 -21.9 9.1 27.8 52.4 255 265 A Y H X S+ 0 0 2 -4,-2.3 4,-3.5 1,-0.2 -3,-0.1 0.757 77.9 62.1 -42.0 -35.2 12.6 26.9 51.4 256 266 A Y H > S+ 0 0 71 -4,-0.3 4,-2.8 2,-0.3 5,-0.3 0.990 107.5 34.4 -61.4 -68.0 12.4 23.6 53.1 257 267 A C H > S+ 0 0 7 1,-0.3 4,-3.0 29,-0.3 6,-0.2 0.804 116.4 61.9 -52.7 -31.1 9.6 21.7 51.2 258 268 A G H X S+ 0 0 4 -4,-2.0 4,-2.1 28,-0.2 -1,-0.3 0.987 108.8 38.2 -58.0 -59.2 11.0 23.6 48.5 259 269 A V H X S+ 0 0 4 -4,-3.5 4,-1.6 1,-0.2 -2,-0.3 0.932 114.3 53.5 -56.1 -54.0 14.2 21.7 49.1 260 270 A L H X S+ 0 0 3 -4,-2.8 4,-1.1 2,-0.2 -1,-0.2 0.857 112.0 47.5 -47.9 -42.0 12.5 18.4 49.9 261 271 A Y H >< S+ 0 0 66 -4,-3.0 3,-0.6 -5,-0.3 -2,-0.2 0.989 114.7 41.2 -62.9 -74.7 10.8 18.7 46.7 262 272 A F H 3< S+ 0 0 54 -4,-2.1 -91,-1.4 1,-0.2 -1,-0.2 0.580 101.1 84.2 -48.5 -13.3 13.7 19.6 44.5 263 273 A T H 3< S- 0 0 1 -4,-1.6 2,-0.4 -5,-0.3 -88,-0.4 0.999 94.1 -13.7 -60.6 -72.2 15.6 17.1 46.4 264 274 A G S << S- 0 0 4 -4,-1.1 5,-0.3 -3,-0.6 -1,-0.2 -0.921 82.5 -18.0-172.2 156.1 14.6 14.1 44.6 265 275 A S > - 0 0 18 -2,-0.4 4,-2.1 -3,-0.2 -1,-0.2 0.850 47.0-125.9 52.2 124.5 13.0 11.7 42.4 266 276 A D H > S+ 0 0 133 2,-0.2 4,-3.1 1,-0.2 5,-0.1 0.884 110.7 55.1 -59.1 -37.0 9.6 12.4 41.1 267 277 A I H > S+ 0 0 97 2,-0.2 4,-3.9 1,-0.2 -1,-0.2 0.988 105.9 45.9 -57.4 -66.1 8.6 9.1 42.5 268 278 A F H > S+ 0 0 0 55,-0.4 4,-3.6 2,-0.3 -1,-0.2 0.799 114.2 51.1 -46.0 -38.5 9.6 9.6 46.1 269 279 A N H X S+ 0 0 8 -4,-2.1 4,-3.9 -5,-0.3 -1,-0.3 0.996 113.1 45.2 -63.3 -56.9 8.0 12.9 46.0 270 280 A K H X S+ 0 0 53 -4,-3.1 4,-1.6 2,-0.2 -2,-0.3 0.851 115.1 47.5 -49.6 -45.7 4.9 11.3 44.6 271 281 A N H X S+ 0 0 70 -4,-3.9 4,-2.0 1,-0.2 3,-0.4 0.991 117.1 43.6 -57.9 -58.7 5.2 8.6 47.2 272 282 A M H X S+ 0 0 3 -4,-3.6 4,-1.4 1,-0.2 -2,-0.2 0.805 105.5 59.4 -52.8 -46.3 5.7 11.1 49.9 273 283 A R H X S+ 0 0 65 -4,-3.9 4,-1.4 1,-0.2 10,-0.3 0.918 111.5 44.4 -51.5 -47.3 3.1 13.6 48.7 274 284 A A H X S+ 0 0 48 -4,-1.6 4,-4.4 -3,-0.4 -2,-0.2 0.875 103.4 60.2 -65.0 -47.9 0.5 10.8 49.2 275 285 A H H X S+ 0 0 37 -4,-2.0 4,-2.6 2,-0.3 -1,-0.2 0.836 107.2 47.4 -55.5 -33.4 1.6 9.4 52.5 276 286 A A H <>S+ 0 0 0 -4,-1.4 5,-0.7 2,-0.3 -1,-0.2 0.946 114.1 46.2 -69.3 -48.0 1.0 12.6 54.2 277 287 A L H ><5S+ 0 0 85 -4,-1.4 3,-1.8 3,-0.3 -2,-0.3 0.890 108.5 59.7 -54.7 -40.4 -2.3 12.7 52.4 278 288 A E H 3<5S+ 0 0 154 -4,-4.4 -2,-0.3 1,-0.3 -1,-0.3 0.955 110.8 37.3 -53.2 -58.3 -2.4 9.2 53.6 279 289 A K T 3<5S- 0 0 101 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.2 0.131 134.8 -84.1 -84.0 20.4 -2.1 10.4 57.2 280 290 A G T < 5S+ 0 0 34 -3,-1.8 11,-0.9 1,-0.3 2,-0.3 0.956 89.8 121.0 78.5 56.5 -4.3 13.4 56.6 281 291 A F E < -E 290 0B 39 -5,-0.7 2,-0.5 9,-0.2 -1,-0.3 -0.993 49.8-143.9-150.1 140.7 -1.8 16.0 55.3 282 292 A T E -E 289 0B 26 7,-3.6 7,-2.8 -2,-0.3 2,-0.3 -0.939 23.7-175.3-111.9 132.0 -1.6 17.8 52.1 283 293 A I E +E 288 0B 17 -2,-0.5 2,-0.3 -10,-0.3 5,-0.2 -0.980 15.5 149.2-135.4 145.4 1.8 18.5 50.6 284 294 A N E > -E 287 0B 31 3,-1.1 3,-1.3 -2,-0.3 -27,-0.1 -0.915 64.6 -73.2-161.7 153.8 3.3 20.4 47.6 285 295 A E T 3 S+ 0 0 48 1,-0.3 -24,-0.2 -2,-0.3 -23,-0.1 0.471 128.4 41.3 -26.7 -21.6 6.7 22.3 46.9 286 296 A Y T 3 S- 0 0 130 1,-0.3 2,-0.3 -29,-0.1 -29,-0.3 0.762 117.3 -5.8-106.3 -40.0 5.6 25.1 49.2 287 297 A T E < -E 284 0B 23 -3,-1.3 -3,-1.1 -30,-0.1 2,-0.6 -0.992 43.3-127.7-161.1 165.9 4.0 23.7 52.3 288 298 A I E +E 283 0B 0 13,-0.4 13,-1.7 -2,-0.3 -5,-0.2 -0.964 39.7 171.5-112.8 127.2 2.6 21.0 54.4 289 299 A R E -E 282 0B 51 -7,-2.8 -7,-3.6 -2,-0.6 2,-0.2 -0.951 38.7 -94.4-138.4 156.1 -0.8 21.8 55.6 290 300 A P E -E 281 0B 48 0, 0.0 2,-0.9 0, 0.0 -9,-0.2 -0.455 33.9-133.2 -68.4 132.7 -3.5 19.9 57.4 291 301 A L - 0 0 55 -11,-0.9 7,-0.1 -2,-0.2 5,-0.1 -0.775 31.7-159.7 -91.7 105.6 -6.0 18.2 55.0 292 302 A G > - 0 0 30 -2,-0.9 3,-1.2 1,-0.2 2,-0.3 0.203 32.1 -50.2 -71.1-165.2 -9.5 19.0 56.5 293 303 A V T 3 S+ 0 0 95 1,-0.2 3,-0.5 2,-0.1 -1,-0.2 -0.523 122.3 16.5 -72.8 130.3 -12.9 17.6 56.1 294 304 A T T 3 S- 0 0 112 -2,-0.3 -1,-0.2 1,-0.2 3,-0.1 0.351 125.1 -75.9 87.8 -0.0 -14.1 17.0 52.6 295 305 A G S < S+ 0 0 44 -3,-1.2 2,-0.5 1,-0.2 -1,-0.2 0.078 111.1 98.2 100.0 -24.3 -10.7 17.2 51.1 296 306 A V + 0 0 80 -3,-0.5 2,-0.2 -5,-0.1 -1,-0.2 -0.898 46.1 101.3-107.4 130.0 -10.5 21.0 51.3 297 307 A A + 0 0 50 -2,-0.5 2,-0.3 -5,-0.2 -8,-0.1 -0.793 31.8 167.9 169.4 152.6 -8.7 22.6 54.2 298 308 A G + 0 0 41 -2,-0.2 -7,-0.1 -7,-0.1 -9,-0.1 -0.981 24.5 149.2-168.8 173.0 -5.4 24.3 55.0 299 309 A E - 0 0 144 -2,-0.3 -1,-0.1 2,-0.0 -8,-0.0 0.327 47.6-128.6 144.8 65.6 -3.2 26.4 57.2 300 310 A P - 0 0 61 0, 0.0 -11,-0.2 0, 0.0 3,-0.1 0.207 16.6-124.7 -35.3 136.4 0.5 25.4 56.8 301 311 A L - 0 0 51 -13,-1.7 -13,-0.4 1,-0.1 2,-0.1 -0.442 32.6 -88.3 -87.2 160.0 2.8 24.5 59.7 302 312 A P - 0 0 94 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.407 43.4-163.6 -66.3 132.6 6.1 26.0 60.6 303 313 A V + 0 0 10 -50,-0.2 -47,-0.2 -2,-0.1 3,-0.1 -0.944 29.7 155.5-133.5 124.6 9.2 24.5 59.0 304 314 A D S S+ 0 0 110 -2,-0.5 2,-0.3 1,-0.4 -1,-0.1 0.562 72.1 6.7-116.5 -9.8 12.8 24.7 59.9 305 315 A S S >> S- 0 0 34 1,-0.1 3,-1.2 0, 0.0 4,-0.6 -0.979 76.4 -96.7-169.5 157.0 14.1 21.6 58.5 306 316 A E H >> S+ 0 0 11 -2,-0.3 3,-1.5 1,-0.3 4,-1.4 0.805 117.8 60.2 -43.4 -42.9 13.4 18.6 56.4 307 317 A Q H 3> S+ 0 0 72 1,-0.3 4,-2.8 2,-0.2 5,-0.3 0.912 91.9 68.1 -54.8 -45.4 12.7 16.5 59.5 308 318 A D H <> S+ 0 0 39 -3,-1.2 4,-0.9 1,-0.2 -1,-0.3 0.756 103.1 46.1 -45.4 -33.7 9.9 18.8 60.5 309 319 A I H XX S+ 0 0 2 -3,-1.5 4,-2.3 -4,-0.6 3,-0.9 0.986 112.4 46.8 -68.9 -61.0 8.0 17.5 57.4 310 320 A F H 3< S+ 0 0 0 -4,-1.4 5,-0.2 1,-0.3 -2,-0.2 0.909 108.1 57.6 -42.1 -62.4 8.6 13.9 57.9 311 321 A D H >< S+ 0 0 86 -4,-2.8 3,-1.3 3,-0.3 -1,-0.3 0.781 107.0 47.8 -42.0 -44.0 7.7 14.2 61.6 312 322 A Y H << S+ 0 0 64 -4,-0.9 -1,-0.3 -3,-0.9 -2,-0.2 0.977 118.8 38.8 -64.0 -52.3 4.3 15.5 60.7 313 323 A I T 3< S- 0 0 0 -4,-2.3 -1,-0.3 -3,-0.1 -2,-0.2 -0.040 118.0-122.5 -85.4 24.7 3.7 12.9 58.3 314 324 A Q < + 0 0 133 -3,-1.3 2,-0.4 -5,-0.2 -3,-0.3 0.775 53.3 151.1 35.0 68.3 5.5 10.5 60.7 315 325 A W - 0 0 83 -8,-0.2 2,-0.2 -5,-0.2 -1,-0.1 -0.957 51.4-115.9-131.4 142.8 8.4 9.1 58.7 316 326 A R - 0 0 88 -2,-0.4 2,-0.2 1,-0.1 0, 0.0 -0.498 60.9 -90.3 -66.6 130.7 11.9 7.7 59.6 317 327 A Y - 0 0 81 -2,-0.2 2,-1.2 1,-0.1 -1,-0.1 -0.186 37.9-153.8 -46.8 108.0 14.1 10.1 57.8 318 328 A R - 0 0 56 -2,-0.2 -1,-0.1 -3,-0.1 -8,-0.0 -0.739 23.5-135.7 -87.8 103.0 14.8 8.9 54.3 319 329 A E - 0 0 95 -2,-1.2 -144,-0.0 1,-0.1 -1,-0.0 -0.155 21.5-101.2 -58.4 153.6 18.1 10.4 53.6 320 330 A P S > S+ 0 0 27 0, 0.0 3,-0.7 0, 0.0 -145,-0.2 0.821 125.8 47.2 -33.7 -62.6 18.8 12.1 50.4 321 331 A K T 3 S+ 0 0 129 1,-0.3 2,-2.7 -147,-0.2 3,-0.4 0.959 107.6 60.5 -47.5 -63.4 20.7 9.2 49.0 322 332 A D T 3 S+ 0 0 66 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 -0.099 83.5 90.4 -59.9 39.9 17.8 6.9 50.2 323 333 A R < + 0 0 0 -2,-2.7 -55,-0.4 -3,-0.7 -1,-0.2 0.317 31.5 114.5-127.7 19.1 15.1 8.5 48.1 324 334 A S 0 0 69 -3,-0.4 -57,-0.1 1,-0.2 -1,-0.1 0.334 360.0 360.0 -70.8 12.5 14.7 6.9 44.6 325 335 A E 0 0 115 -3,-0.1 -1,-0.2 -58,-0.1 -2,-0.1 0.075 360.0 360.0 170.7 360.0 11.2 5.7 45.7