==== 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 1BPE . 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 . 284 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16114.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 178 62.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 6.0 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 16 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 89 31.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 3 1 2 0 2 2 0 1 2 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 12 A N >> 0 0 116 0, 0.0 4,-1.2 0, 0.0 3,-0.8 0.000 360.0 360.0 360.0 165.8 2.9 -22.9 9.1 2 13 A G H 3> + 0 0 67 1,-0.3 4,-1.0 2,-0.2 3,-0.2 0.866 360.0 62.4 -58.5 -32.4 4.4 -21.0 12.1 3 14 A G H 3> S+ 0 0 62 1,-0.2 4,-0.8 2,-0.2 -1,-0.3 0.736 104.8 40.7 -58.9 -40.1 6.3 -19.7 9.1 4 15 A I H <4 S+ 0 0 74 -3,-0.8 4,-0.4 2,-0.2 -1,-0.2 0.522 107.2 63.3 -91.5 -10.5 3.3 -18.2 7.4 5 16 A T H X S+ 0 0 64 -4,-1.2 4,-1.4 -3,-0.2 -2,-0.2 0.783 102.7 51.0 -81.6 -27.2 1.8 -16.9 10.6 6 17 A D H X S+ 0 0 55 -4,-1.0 4,-1.5 2,-0.3 -2,-0.2 0.833 102.8 52.5 -77.5 -44.5 4.9 -14.5 11.2 7 18 A M H X S+ 0 0 20 -4,-0.8 4,-1.1 1,-0.2 -1,-0.2 0.846 108.1 61.7 -62.9 -27.0 5.1 -12.7 7.8 8 19 A L H >> S+ 0 0 53 -4,-0.4 3,-1.8 1,-0.2 4,-1.4 0.991 99.8 46.6 -58.7 -66.0 1.5 -12.2 8.8 9 20 A V H 3X S+ 0 0 74 -4,-1.4 4,-0.9 1,-0.3 -1,-0.2 0.762 110.0 59.7 -49.9 -25.5 2.2 -10.3 12.0 10 21 A E H 3X S+ 0 0 30 -4,-1.5 4,-1.1 2,-0.2 -1,-0.3 0.769 102.9 48.4 -74.8 -29.7 4.7 -8.3 9.9 11 22 A L H << S+ 0 0 38 -3,-1.8 -2,-0.2 -4,-1.1 -1,-0.1 0.878 108.7 50.5 -75.9 -46.3 2.1 -6.9 7.3 12 23 A A H < S+ 0 0 92 -4,-1.4 -2,-0.2 2,-0.3 -1,-0.2 0.852 110.1 51.7 -61.4 -37.3 -0.5 -5.7 9.8 13 24 A N H < 0 0 91 -4,-0.9 -1,-0.2 -5,-0.3 -2,-0.2 0.933 360.0 360.0 -62.0 -45.3 2.3 -3.9 11.5 14 25 A F < 0 0 100 -4,-1.1 -2,-0.3 -5,-0.1 -1,-0.2 0.721 360.0 360.0 -75.3 360.0 3.1 -2.5 8.1 15 ! 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 16 56 A G > 0 0 82 0, 0.0 4,-3.6 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -33.6 -8.3 -17.8 -0.6 17 57 A A T 4 + 0 0 97 2,-0.2 4,-0.4 1,-0.2 0, 0.0 0.939 360.0 26.7 -75.7 -55.2 -4.8 -18.1 0.6 18 58 A E T > S+ 0 0 89 1,-0.2 4,-1.0 3,-0.1 -1,-0.2 0.500 127.0 58.9 -84.3 0.4 -3.3 -16.2 -2.3 19 59 A A T 4 S+ 0 0 51 2,-0.2 -2,-0.2 3,-0.1 -1,-0.2 0.780 102.1 43.7 -93.1 -44.1 -6.9 -14.6 -2.3 20 60 A K T < S+ 0 0 72 -4,-3.6 -3,-0.2 2,-0.2 -2,-0.1 0.659 112.5 63.5 -75.5 -13.2 -7.2 -13.1 1.2 21 61 A K T 4 S+ 0 0 69 -4,-0.4 -2,-0.2 -5,-0.2 -1,-0.2 0.987 104.5 37.6 -65.0 -64.9 -3.8 -12.1 0.0 22 62 A L < 0 0 100 -4,-1.0 -2,-0.2 1,-0.3 -1,-0.2 0.606 360.0 360.0 -62.7 -12.9 -5.2 -10.1 -2.8 23 63 A P 0 0 100 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 -0.214 360.0 360.0 -96.1 360.0 -7.7 -9.3 -0.1 24 ! 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 25 71 A E 0 0 146 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -75.2 2.9 -7.2 -1.9 26 72 A K + 0 0 73 3,-0.0 2,-0.3 4,-0.0 -5,-0.0 -0.933 360.0 123.7-155.8 171.9 4.1 -10.0 0.4 27 73 A I S > S- 0 0 46 -2,-0.3 3,-0.7 -20,-0.0 4,-0.3 -0.959 87.5 -53.6 179.8 176.7 6.8 -12.7 0.8 28 74 A D T 3> S+ 0 0 87 -2,-0.3 4,-1.1 1,-0.1 5,-0.0 0.092 117.8 96.2 -50.5 14.8 9.3 -13.7 3.0 29 75 A E H 3> S+ 0 0 59 2,-0.2 4,-2.1 3,-0.1 -1,-0.1 0.790 82.0 47.5 -76.5 -31.3 9.9 -10.0 2.2 30 76 A F H <4 S+ 0 0 63 -3,-0.7 4,-0.2 2,-0.2 -1,-0.1 0.760 111.4 47.9 -75.2 -39.8 8.0 -8.9 5.5 31 77 A L H 4 S+ 0 0 72 -4,-0.3 -2,-0.2 1,-0.1 -1,-0.2 0.812 113.2 50.6 -69.8 -38.6 9.9 -11.4 7.7 32 78 A A H < S- 0 0 74 -4,-1.1 -2,-0.2 1,-0.0 -3,-0.1 0.963 113.8-126.2 -61.4 -60.6 13.2 -10.1 6.0 33 79 A T < - 0 0 101 -4,-2.1 -2,-0.1 2,-0.1 -3,-0.1 0.177 36.5-166.7 111.8 134.1 12.2 -6.3 6.7 34 80 A G + 0 0 44 -4,-0.2 3,-0.5 1,-0.1 2,-0.3 0.783 41.5 177.7 -95.6 -57.8 11.9 -3.2 4.7 35 81 A K > - 0 0 52 1,-0.2 4,-2.7 2,-0.2 5,-0.2 -0.752 56.0 -12.0 95.8-139.5 11.9 -1.1 7.8 36 82 A L H > S+ 0 0 59 -2,-0.3 4,-3.5 1,-0.2 6,-0.6 0.937 144.2 48.1 -57.4 -49.0 11.7 2.5 8.1 37 83 A R H 4 S+ 0 0 80 -3,-0.5 -1,-0.2 1,-0.2 -2,-0.2 0.868 107.9 58.0 -58.4 -40.6 12.4 2.6 4.4 38 84 A K H 4 S+ 0 0 64 1,-0.2 -2,-0.2 2,-0.1 -1,-0.2 0.883 117.3 31.3 -61.4 -37.1 9.7 -0.1 3.9 39 85 A L H < S+ 0 0 53 -4,-2.7 -2,-0.2 1,-0.1 -1,-0.2 0.949 75.7 178.9 -89.1 -37.7 7.1 2.0 5.3 40 86 A E S < S+ 0 0 62 -4,-3.5 -3,-0.1 -5,-0.2 -1,-0.1 0.444 81.7 75.1 42.9 8.8 8.6 5.4 4.2 41 87 A K S S+ 0 0 71 -5,-0.2 -1,-0.2 2,-0.2 -4,-0.1 -0.186 90.6 55.8 -85.2 -34.6 5.5 6.6 6.0 42 88 A I S > S+ 0 0 30 -6,-0.6 4,-2.0 3,-0.1 5,-0.2 0.566 98.4 59.6 -65.8 -29.4 7.8 5.7 8.7 43 89 A R T 4 S+ 0 0 60 -7,-0.5 -2,-0.2 1,-0.3 -6,-0.1 0.737 107.7 43.9 -67.8 -26.7 10.3 8.1 7.0 44 90 A R T 4 S+ 0 0 63 2,-0.2 -1,-0.3 1,-0.1 -3,-0.1 0.653 110.6 57.5 -88.9 -19.3 7.7 10.8 7.5 45 91 A D T >4 S+ 0 0 56 1,-0.2 3,-2.0 2,-0.2 -2,-0.2 0.806 97.1 59.3 -77.2 -33.8 7.3 9.3 11.0 46 92 A D T >< S+ 0 0 56 -4,-2.0 3,-2.8 1,-0.3 -1,-0.2 0.671 85.8 77.5 -69.5 -13.4 11.0 9.8 11.7 47 93 A T T 3> S+ 0 0 49 1,-0.3 4,-1.3 2,-0.2 3,-0.5 0.651 85.0 63.6 -68.2 -9.9 10.1 13.5 11.0 48 94 A S H <> S+ 0 0 66 -3,-2.0 4,-1.7 1,-0.2 -1,-0.3 0.510 90.2 64.3 -84.5 -10.6 8.9 13.0 14.5 49 95 A S H <4 S+ 0 0 72 -3,-2.8 4,-0.3 2,-0.2 -1,-0.2 0.485 98.4 54.8 -86.7 -9.2 12.5 12.5 15.1 50 96 A S H > S+ 0 0 11 -3,-0.5 4,-5.2 -4,-0.2 5,-0.2 0.924 106.5 50.1 -80.1 -60.1 12.8 16.1 14.1 51 97 A I H X S+ 0 0 49 -4,-1.3 4,-1.9 1,-0.2 -2,-0.2 0.912 118.7 34.5 -43.2 -66.9 10.3 17.2 16.7 52 98 A N H X S+ 0 0 100 -4,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.825 119.6 50.0 -67.5 -30.8 11.9 15.5 19.7 53 99 A F H >4 S+ 0 0 26 -4,-0.3 3,-0.7 1,-0.2 4,-0.4 0.976 110.6 52.3 -68.8 -48.1 15.4 15.9 18.4 54 100 A L H >< S+ 0 0 0 -4,-5.2 3,-1.1 1,-0.3 -2,-0.2 0.809 105.2 54.0 -54.5 -33.2 14.5 19.6 17.9 55 101 A T H 3< S+ 0 0 55 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.916 89.4 77.4 -69.1 -34.8 13.3 19.8 21.4 56 102 A R T << S+ 0 0 124 -4,-1.5 -1,-0.2 -3,-0.7 -2,-0.2 0.695 80.3 90.6 -41.3 -24.9 16.6 18.5 22.6 57 103 A V S < S- 0 0 8 -3,-1.1 37,-0.2 -4,-0.4 33,-0.1 -0.482 94.6 -91.4 -74.7 147.4 17.8 22.0 21.9 58 104 A T S S+ 0 0 28 35,-2.6 2,-3.3 32,-0.3 -1,-0.1 -0.158 96.7 1.8 -63.9 159.6 17.5 24.4 24.7 59 105 A G S S+ 0 0 25 30,-0.1 -1,-0.2 1,-0.1 5,-0.1 -0.293 91.3 118.1 65.3 -53.3 14.7 26.4 25.5 60 106 A I + 0 0 8 -2,-3.3 -1,-0.1 -6,-0.1 -3,-0.0 -0.276 40.3 171.4 -52.5 118.5 12.5 25.2 22.7 61 107 A G > - 0 0 31 -3,-0.1 4,-0.9 -5,-0.0 5,-0.3 -0.035 53.9 -49.4-105.1-155.3 9.4 23.5 24.3 62 108 A P H > S+ 0 0 118 0, 0.0 4,-1.0 0, 0.0 -2,-0.0 0.959 135.4 38.9 -48.5 -69.4 6.2 22.2 22.7 63 109 A S H > S+ 0 0 82 1,-0.1 4,-1.3 2,-0.1 5,-0.3 0.894 109.7 62.2 -44.2 -60.2 5.3 25.3 20.5 64 110 A A H >> S+ 0 0 11 1,-0.2 4,-1.9 2,-0.2 3,-0.5 0.867 105.7 34.3 -33.9 -82.0 8.9 26.2 19.4 65 111 A A H 3X>S+ 0 0 3 -4,-0.9 4,-4.5 1,-0.2 5,-0.7 0.911 106.7 68.3 -48.3 -56.2 10.2 23.3 17.4 66 112 A R H 3X5S+ 0 0 165 -4,-1.0 4,-1.5 -5,-0.3 -1,-0.2 0.790 112.5 31.4 -32.9 -53.8 6.9 22.3 15.8 67 113 A K H S+ 0 0 6 -4,-1.9 5,-1.0 2,-0.3 -2,-0.2 0.938 113.4 37.8 -60.3 -50.2 10.5 25.6 13.5 69 115 A V H <5S+ 0 0 10 -4,-4.5 -1,-0.2 1,-0.3 -2,-0.2 0.923 114.5 56.4 -63.3 -42.2 10.7 22.3 12.0 70 116 A D H <> S- 0 0 70 -6,-0.1 4,-2.2 -22,-0.1 3,-1.5 -0.524 79.7-105.1-101.9 164.1 18.3 19.3 11.8 76 122 A L H 3> S+ 0 0 61 1,-0.3 4,-1.4 2,-0.2 -1,-0.0 0.839 125.8 40.1 -38.3 -50.5 21.4 20.4 14.0 77 123 A E H 3> S+ 0 0 52 2,-0.2 4,-1.2 3,-0.2 -1,-0.3 0.550 103.6 65.9 -79.2 -21.2 22.4 22.6 11.2 78 124 A D H X> S+ 0 0 49 -3,-1.5 4,-3.1 2,-0.2 3,-1.0 0.986 111.8 37.9 -64.9 -54.3 19.0 23.8 10.2 79 125 A L H 3< S+ 0 0 13 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.908 108.3 64.7 -57.9 -45.4 18.8 25.5 13.4 80 126 A R H 3< S+ 0 0 91 -4,-1.4 3,-0.3 -5,-0.4 -1,-0.3 0.789 114.0 33.1 -52.6 -28.4 22.5 26.5 13.2 81 127 A K H << S+ 0 0 172 -4,-1.2 2,-3.5 -3,-1.0 3,-0.4 0.921 109.2 68.0 -85.8 -56.9 21.6 28.6 10.2 82 128 A N >< + 0 0 46 -4,-3.1 3,-1.1 1,-0.2 -1,-0.2 -0.063 59.1 134.8 -53.6 31.7 18.2 29.5 11.5 83 129 A E G > + 0 0 131 -2,-3.5 3,-2.0 -3,-0.3 -1,-0.2 0.961 66.1 58.7 -46.5 -68.7 19.6 31.6 14.3 84 130 A D G 3 S+ 0 0 127 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.622 91.9 72.6 -29.1 -38.8 17.2 34.5 13.6 85 131 A K G < S+ 0 0 36 -3,-1.1 -1,-0.3 -6,-0.1 2,-0.2 0.328 100.9 38.0 -67.8 0.3 14.2 32.1 14.2 86 132 A L S < S- 0 0 50 -3,-2.0 2,-0.1 -7,-0.1 0, 0.0 -0.845 78.6 -96.4-144.1 178.6 14.8 31.9 18.1 87 133 A N > - 0 0 77 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.363 44.4 -88.5 -98.1-178.7 15.7 33.7 21.3 88 134 A H H > S+ 0 0 77 2,-0.2 4,-0.9 3,-0.2 93,-0.1 0.784 124.1 56.3 -52.5 -34.2 18.7 34.3 23.5 89 135 A H H >> S+ 0 0 57 2,-0.2 3,-3.7 1,-0.2 4,-0.7 0.927 112.5 31.1 -56.7 -96.8 17.6 31.2 25.3 90 136 A Q H 34 S+ 0 0 28 1,-0.3 -32,-0.3 2,-0.2 5,-0.2 0.617 108.0 75.1 -37.0 -25.8 17.4 28.6 22.6 91 137 A R H 3X S+ 0 0 129 -4,-2.3 4,-1.1 1,-0.2 3,-0.4 0.909 104.5 37.4 -57.2 -42.5 20.3 30.4 20.9 92 138 A I H X S+ 0 0 17 -4,-3.4 3,-3.2 2,-0.1 2,-0.6 0.836 91.4 106.9-109.0 -53.9 26.0 24.4 23.8 97 143 A F H 3> S+ 0 0 8 -5,-0.3 4,-0.8 1,-0.3 -2,-0.1 0.356 78.6 60.4 8.5 -47.8 23.5 21.6 23.6 98 144 A E H >4 S+ 0 0 53 -2,-0.6 3,-2.2 -4,-0.5 -1,-0.3 0.987 109.2 40.9 -60.0 -54.8 26.1 19.2 22.6 99 145 A D H X4 S+ 0 0 39 -3,-3.2 3,-1.2 1,-0.3 -1,-0.3 0.759 106.4 71.8 -62.7 -20.8 27.9 19.7 25.7 100 146 A F H 3< S+ 0 0 51 -4,-0.5 -1,-0.3 1,-0.3 -2,-0.2 0.721 89.1 57.9 -67.1 -23.8 24.5 19.7 27.1 101 147 A E T << S+ 0 0 109 -3,-2.2 2,-0.5 -4,-0.8 -1,-0.3 0.023 88.2 89.3 -98.8 28.5 24.2 16.0 26.6 102 148 A K S < S- 0 0 111 -3,-1.2 -1,-0.1 41,-0.1 41,-0.0 -0.926 71.1-137.2-134.3 109.2 27.1 15.1 28.7 103 149 A R - 0 0 56 -2,-0.5 40,-0.2 1,-0.1 -2,-0.1 -0.186 25.5-115.3 -61.0 143.4 26.7 14.5 32.4 104 150 A I - 0 0 8 1,-0.1 2,-0.4 2,-0.0 -1,-0.1 -0.065 13.6-114.1 -78.4 178.6 29.1 15.8 34.8 105 151 A P >> - 0 0 49 0, 0.0 3,-1.8 0, 0.0 4,-1.2 -0.980 20.0-133.9-113.9 119.4 31.6 14.4 37.3 106 152 A R H 3> S+ 0 0 73 34,-0.7 4,-1.3 -2,-0.4 5,-0.1 0.463 102.5 75.2 -56.7 1.7 30.9 15.0 41.0 107 153 A E H 3> S+ 0 0 142 2,-0.2 4,-0.9 33,-0.1 -1,-0.3 0.944 102.8 36.1 -73.5 -48.5 34.6 16.0 41.2 108 154 A E H <> S+ 0 0 25 -3,-1.8 4,-3.7 2,-0.2 5,-0.3 0.724 110.4 66.0 -70.8 -33.1 33.7 19.3 39.5 109 155 A M H X S+ 0 0 3 -4,-1.2 4,-6.0 2,-0.3 5,-0.2 0.968 101.4 44.5 -54.8 -63.0 30.5 19.6 41.3 110 156 A L H X S+ 0 0 65 -4,-1.3 4,-3.5 2,-0.2 -1,-0.2 0.848 111.6 60.9 -50.8 -38.1 31.9 19.9 44.6 111 157 A Q H X S+ 0 0 71 -4,-0.9 4,-1.6 2,-0.3 3,-0.3 0.978 116.9 25.6 -54.4 -69.3 34.1 22.3 42.9 112 158 A M H X S+ 0 0 5 -4,-3.7 4,-3.9 1,-0.2 6,-0.3 0.905 114.7 69.8 -62.2 -35.2 31.4 24.6 41.8 113 159 A Q H X S+ 0 0 4 -4,-6.0 4,-1.4 -5,-0.3 -2,-0.3 0.897 105.9 43.5 -43.6 -46.1 29.6 23.3 44.8 114 160 A D H X S+ 0 0 86 -4,-3.5 4,-2.1 -3,-0.3 5,-0.4 0.980 111.9 46.3 -59.9 -80.9 32.2 25.2 46.4 115 161 A I H X S+ 0 0 31 -4,-1.6 4,-1.2 1,-0.2 -2,-0.2 0.650 110.9 55.4 -35.5 -33.6 32.3 28.4 44.5 116 162 A V H >X S+ 0 0 4 -4,-3.9 4,-2.0 2,-0.2 3,-0.9 1.000 119.6 28.3 -62.8 -68.3 28.7 28.7 44.5 117 163 A L H 3X S+ 0 0 63 -4,-1.4 4,-1.2 -3,-0.4 -2,-0.2 0.492 119.2 61.8 -67.1 -13.6 28.2 28.5 48.3 118 164 A N H 3X S+ 0 0 67 -4,-2.1 4,-0.9 -6,-0.3 -1,-0.3 0.748 105.2 46.3 -86.2 -29.4 31.5 29.9 48.5 119 165 A E H X S+ 0 0 8 -4,-2.0 3,-3.2 1,-0.2 4,-1.2 0.984 108.0 55.9 -59.4 -56.7 27.2 33.5 48.6 121 167 A K H 3< S+ 0 0 172 -4,-1.2 -1,-0.2 1,-0.3 -2,-0.2 0.796 103.6 55.5 -44.9 -33.8 29.2 33.2 51.9 122 168 A K H 3< S+ 0 0 126 -4,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.831 110.5 49.6 -68.5 -28.1 31.4 35.9 50.6 123 169 A L H << S- 0 0 31 -3,-3.2 -2,-0.2 -4,-1.0 -1,-0.2 0.907 125.2 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61 -4,-1.3 4,-3.9 2,-0.3 5,-0.2 0.849 114.1 53.0 -46.1 -43.9 1.7 8.2 52.7 238 286 A A H < S+ 0 0 8 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.911 115.2 41.4 -63.1 -36.2 1.3 11.6 54.1 239 287 A L H >< S+ 0 0 69 -4,-0.8 3,-1.6 -5,-0.4 -2,-0.3 0.869 109.2 59.1 -75.8 -29.8 -1.9 11.6 52.5 240 288 A E H 3< S+ 0 0 146 -4,-3.3 -2,-0.2 1,-0.3 -3,-0.2 0.986 111.6 39.6 -54.5 -61.5 -2.3 8.1 53.6 241 289 A K T 3< S- 0 0 72 -4,-3.9 -1,-0.3 34,-0.1 -2,-0.2 0.181 138.8 -95.8 -71.8 14.1 -2.0 9.4 57.2 242 290 A G S < S+ 0 0 30 -3,-1.6 11,-0.7 -6,-0.3 -3,-0.4 0.998 83.7 118.6 64.8 82.3 -4.1 12.2 55.8 243 291 A F E -E 252 0B 37 -7,-0.3 2,-0.4 -8,-0.2 -1,-0.2 -0.926 44.1-150.1-167.2 141.6 -1.8 14.9 54.7 244 292 A T E +E 251 0B 32 7,-3.0 7,-3.5 -2,-0.3 2,-0.3 -0.919 14.8 179.9-122.0 151.7 -1.1 16.6 51.6 245 293 A I + 0 0 33 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.883 0.6 177.9-138.4 167.9 2.1 18.2 50.5 246 294 A N - 0 0 38 3,-0.4 -23,-0.2 -2,-0.3 -2,-0.0 -0.934 53.6 -72.4-159.7 179.7 3.4 19.9 47.4 247 295 A E S S+ 0 0 58 -2,-0.3 -24,-0.2 1,-0.2 -23,-0.1 0.811 134.7 36.2 -49.3 -30.4 6.3 21.7 46.0 248 296 A Y S S- 0 0 132 1,-0.2 -28,-0.4 -29,-0.1 -29,-0.3 0.859 117.8 -20.6 -95.7 -42.1 5.5 24.4 48.3 249 297 A T - 0 0 28 -30,-0.2 2,-0.5 -31,-0.1 -3,-0.4 -0.988 47.1 -89.9-172.6 172.7 4.2 22.8 51.6 250 298 A I - 0 0 9 -2,-0.3 13,-1.3 13,-0.3 -5,-0.2 -0.680 41.5-177.7 -82.1 116.6 2.8 20.4 54.4 251 299 A R E -E 244 0B 56 -7,-3.5 -7,-3.0 -2,-0.5 2,-0.0 -0.932 29.5-132.0-135.4 131.4 -0.9 20.6 54.9 252 300 A P E -E 243 0B 43 0, 0.0 -9,-0.2 0, 0.0 9,-0.1 -0.427 44.0-126.8 -59.9 138.2 -3.2 18.9 57.2 253 301 A L - 0 0 49 -11,-0.7 2,-0.3 7,-0.1 -10,-0.0 0.658 20.6-104.5 -67.5-143.0 -6.0 17.6 55.1 254 302 A G > - 0 0 32 5,-0.2 2,-1.3 -11,-0.0 3,-1.0 -0.994 18.8-109.1-166.4 157.2 -9.8 17.7 54.9 255 303 A V T 3 S+ 0 0 101 -2,-0.3 3,-0.1 1,-0.3 0, 0.0 -0.768 119.4 10.7 -85.0 92.3 -13.2 16.4 55.3 256 304 A T T 3 S- 0 0 109 -2,-1.3 2,-0.8 1,-0.1 -1,-0.3 0.275 124.1 -84.5 111.5 4.7 -14.1 15.9 51.6 257 305 A G S < S+ 0 0 39 -3,-1.0 2,-0.5 1,-0.1 -1,-0.1 -0.652 108.7 92.3 100.2 -67.5 -10.6 16.5 50.4 258 306 A V + 0 0 100 -2,-0.8 2,-0.2 -4,-0.1 -3,-0.2 -0.430 61.3 95.6 -65.6 116.9 -10.5 20.2 50.1 259 307 A A + 0 0 56 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.907 37.9 117.0 177.2 166.6 -9.0 21.5 53.5 260 308 A G - 0 0 39 -2,-0.2 -7,-0.1 -17,-0.0 -9,-0.1 -1.000 29.9-151.2 163.8-162.9 -5.7 22.6 55.0 261 309 A E - 0 0 148 -2,-0.3 2,-0.5 -9,-0.1 -11,-0.0 -0.143 37.0-102.1 146.5 120.9 -3.1 25.0 56.6 262 310 A P - 0 0 79 0, 0.0 -11,-0.2 0, 0.0 3,-0.1 -0.407 28.3-149.0 -67.9 116.3 0.8 25.2 56.5 263 311 A L - 0 0 43 -13,-1.3 -13,-0.3 -2,-0.5 -2,-0.1 -0.402 34.2 -96.2 -73.5 157.3 2.4 23.9 59.6 264 312 A P - 0 0 99 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.237 38.4-149.8 -67.7 167.2 5.7 25.7 60.3 265 313 A V + 0 0 22 1,-0.1 -47,-0.4 -3,-0.1 -46,-0.1 -0.631 26.9 166.3-153.8 92.5 8.8 24.0 59.0 266 314 A D - 0 0 137 -2,-0.2 2,-0.2 1,-0.1 -48,-0.1 0.998 69.5 -7.3 -64.1 -72.4 12.3 24.2 60.6 267 315 A S S > S- 0 0 41 1,-0.1 3,-1.1 -49,-0.0 4,-0.3 -0.599 75.8 -91.3-122.2-177.1 14.3 21.4 58.9 268 316 A E T >> S+ 0 0 8 1,-0.2 3,-2.1 -2,-0.2 4,-0.7 0.983 118.4 56.3 -54.7 -63.4 13.8 18.4 56.5 269 317 A Q H 3> S+ 0 0 64 1,-0.3 4,-0.8 2,-0.2 -1,-0.2 0.550 87.8 82.4 -46.2 -15.1 13.1 15.8 59.1 270 318 A D H <> S+ 0 0 41 -3,-1.1 4,-0.7 1,-0.2 -1,-0.3 0.695 95.0 42.3 -68.5 -22.2 10.2 17.9 60.5 271 319 A I H <> S+ 0 0 22 -3,-2.1 4,-2.0 -4,-0.3 -1,-0.2 0.793 107.4 58.7 -88.6 -37.7 7.8 16.6 57.9 272 320 A F H <>S+ 0 0 1 -4,-0.7 5,-1.0 1,-0.3 -2,-0.2 0.739 106.4 52.2 -61.5 -23.7 9.1 13.1 58.2 273 321 A D H ><5S+ 0 0 101 -4,-0.8 3,-1.5 3,-0.2 -1,-0.3 0.898 102.8 59.9 -76.3 -44.0 8.0 13.7 61.7 274 322 A Y H 3<5S+ 0 0 55 -4,-0.7 -2,-0.2 1,-0.3 -1,-0.1 0.852 118.3 25.9 -51.8 -48.8 4.6 14.8 60.5 275 323 A I T 3<5S- 0 0 6 -4,-2.0 -1,-0.3 2,-0.1 -2,-0.2 0.070 111.8-118.1-107.0 23.5 3.7 11.6 58.7 276 324 A Q T < 5 + 0 0 163 -3,-1.5 2,-0.3 -5,-0.2 -3,-0.2 0.862 61.4 133.2 36.3 106.8 5.9 9.4 60.9 277 325 A W < - 0 0 85 -5,-1.0 2,-0.2 0, 0.0 -1,-0.1 -0.877 60.7 -85.9-164.5 160.8 8.6 7.8 58.6 278 326 A R - 0 0 82 -2,-0.3 2,-2.8 1,-0.1 -5,-0.0 -0.592 52.2 -89.8 -86.0 149.7 12.3 7.5 59.3 279 327 A Y - 0 0 69 -2,-0.2 2,-1.7 1,-0.1 -1,-0.1 -0.255 50.2-155.9 -57.4 81.7 14.6 10.3 58.3 280 328 A R - 0 0 83 -2,-2.8 -1,-0.1 1,-0.1 -8,-0.0 -0.464 14.9-137.3 -67.9 82.8 15.1 8.7 54.9 281 329 A E > - 0 0 106 -2,-1.7 3,-0.5 3,-0.1 4,-0.2 0.059 17.6-105.1 -46.0 148.2 18.4 10.1 53.9 282 330 A P G > S+ 0 0 23 0, 0.0 3,-3.9 0, 0.0 -145,-0.2 0.860 114.1 56.6 -39.3 -67.0 19.1 11.4 50.5 283 331 A K G 3 S+ 0 0 122 1,-0.3 -144,-0.1 -147,-0.2 -146,-0.1 0.826 112.9 43.2 -36.4 -52.3 21.2 8.5 49.1 284 332 A D G X S+ 0 0 92 -3,-0.5 2,-1.8 1,-0.2 3,-0.6 0.354 86.5 107.7 -76.7 -1.7 18.5 6.0 49.9 285 333 A R T < + 0 0 0 -3,-3.9 -1,-0.2 -4,-0.2 -55,-0.1 -0.330 40.2 108.2 -78.0 53.5 15.9 8.5 48.5 286 334 A S T 3 0 0 77 -2,-1.8 -56,-0.2 -56,-0.1 -1,-0.2 0.818 360.0 360.0 -95.8 -40.2 15.2 6.5 45.4 287 335 A E < 0 0 150 -3,-0.6 -54,-0.1 -57,-0.1 -55,-0.1 0.486 360.0 360.0-144.2 360.0 11.7 5.2 46.1