==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 24-FEB-09 3GDX . COMPND 2 MOLECULE: DNA POLYMERASE BETA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.H.WILSON,V.K.BATRA,L.C.PEDERSEN . 326 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17472.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 230 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 9.8 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 . 13 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 123 37.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.5 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 2 1 1 3 2 0 1 0 2 0 1 1 0 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 . 1 2 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 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 10 A T > 0 0 173 0, 0.0 3,-1.6 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 -3.1 9.9 -14.9 12.5 2 11 A L T 3 + 0 0 81 1,-0.3 3,-0.1 36,-0.3 36,-0.1 0.859 360.0 18.7 -58.8 -35.2 10.8 -17.3 9.7 3 12 A N T >> S+ 0 0 15 35,-0.1 4,-2.1 1,-0.1 3,-0.9 -0.344 88.1 143.4-127.5 45.2 14.2 -15.8 9.8 4 13 A G H <> + 0 0 16 -3,-1.6 4,-2.6 1,-0.2 5,-0.2 0.856 65.3 56.8 -57.0 -40.6 13.9 -14.3 13.3 5 14 A G H 3> S+ 0 0 34 -4,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.739 111.2 43.4 -65.9 -24.2 17.4 -14.9 14.4 6 15 A I H <> S+ 0 0 5 -3,-0.9 4,-2.4 2,-0.2 -1,-0.2 0.855 114.3 47.6 -88.5 -39.9 18.9 -13.0 11.4 7 16 A T H X S+ 0 0 22 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.898 111.4 52.0 -69.1 -36.1 16.5 -10.1 11.6 8 17 A D H X S+ 0 0 106 -4,-2.6 4,-2.7 -5,-0.2 5,-0.2 0.953 109.8 49.6 -61.3 -48.0 17.0 -9.7 15.3 9 18 A M H X S+ 0 0 7 -4,-1.0 4,-2.6 -5,-0.2 -2,-0.2 0.952 112.8 46.4 -53.0 -55.1 20.8 -9.7 14.8 10 19 A L H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 -1,-0.2 0.885 112.3 50.1 -56.0 -43.5 20.5 -7.0 12.1 11 20 A T H X S+ 0 0 60 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.880 110.2 51.2 -64.7 -36.0 18.2 -5.0 14.2 12 21 A E H X S+ 0 0 63 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.908 111.7 47.0 -67.9 -39.4 20.6 -5.3 17.1 13 22 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.922 110.5 52.3 -67.3 -42.1 23.4 -4.1 14.8 14 23 A A H X S+ 0 0 1 -4,-3.0 4,-2.2 1,-0.2 5,-0.2 0.913 108.6 51.0 -59.5 -43.2 21.2 -1.2 13.5 15 24 A N H X>S+ 0 0 65 -4,-2.5 4,-2.5 1,-0.2 5,-0.5 0.917 109.5 50.9 -61.7 -40.5 20.6 -0.2 17.1 16 25 A F H X>S+ 0 0 25 -4,-2.0 5,-2.0 1,-0.2 4,-1.3 0.920 109.8 49.2 -63.7 -43.2 24.3 -0.2 17.8 17 26 A E H <5S+ 0 0 9 -4,-2.5 6,-2.8 3,-0.2 5,-0.4 0.881 117.9 39.3 -65.8 -37.4 25.1 1.9 14.8 18 27 A K H <5S+ 0 0 78 -4,-2.2 4,-0.4 4,-0.2 -2,-0.2 0.970 125.8 31.8 -76.6 -54.5 22.5 4.5 15.6 19 28 A N H <5S+ 0 0 13 -4,-2.5 -3,-0.2 -5,-0.2 84,-0.2 0.948 134.3 23.3 -68.9 -53.4 22.8 4.8 19.4 20 29 A V T <> - 0 0 29 -6,-2.8 4,-1.8 1,-0.1 3,-1.0 -0.723 29.0-176.6-115.8 74.9 26.2 6.5 12.1 24 33 A I H 3> S+ 0 0 78 -2,-0.5 4,-2.2 1,-0.3 -1,-0.1 0.766 77.1 53.5 -45.4 -37.4 22.6 7.0 10.8 25 34 A H H 3> S+ 0 0 152 2,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.878 106.3 50.9 -71.6 -36.6 23.2 5.5 7.4 26 35 A K H <> S+ 0 0 120 -3,-1.0 4,-2.5 2,-0.2 5,-0.2 0.888 108.7 56.0 -64.9 -34.9 24.6 2.2 8.8 27 36 A Y H X S+ 0 0 33 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.972 111.1 40.6 -58.5 -55.6 21.5 2.2 10.9 28 37 A N H X S+ 0 0 34 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.820 110.0 59.5 -65.7 -30.1 19.2 2.4 7.9 29 38 A A H X S+ 0 0 49 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.989 111.6 40.4 -59.6 -57.8 21.4 -0.0 5.9 30 39 A Y H X S+ 0 0 21 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.892 114.0 53.3 -55.9 -45.9 20.8 -2.7 8.6 31 40 A R H X S+ 0 0 44 -4,-2.6 4,-2.8 -5,-0.2 -1,-0.2 0.903 111.0 46.5 -59.3 -41.8 17.1 -1.7 9.0 32 41 A K H X S+ 0 0 103 -4,-2.7 4,-3.2 2,-0.2 5,-0.2 0.937 113.4 48.0 -66.1 -46.0 16.5 -2.1 5.3 33 42 A A H X S+ 0 0 0 -4,-2.6 4,-1.5 22,-0.3 -2,-0.2 0.865 113.2 49.3 -61.5 -36.7 18.4 -5.4 5.2 34 43 A A H X S+ 0 0 8 -4,-2.7 4,-2.4 -5,-0.2 -2,-0.2 0.943 112.7 47.8 -66.1 -48.4 16.4 -6.6 8.2 35 44 A S H X S+ 0 0 9 -4,-2.8 4,-1.0 1,-0.2 -2,-0.2 0.940 111.8 48.3 -57.4 -51.0 13.1 -5.4 6.5 36 45 A V H < S+ 0 0 16 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.799 115.0 45.3 -64.3 -28.9 13.9 -7.1 3.2 37 46 A I H >< S+ 0 0 0 -4,-1.5 3,-1.5 -5,-0.2 -1,-0.2 0.837 102.6 65.2 -81.9 -33.7 14.8 -10.4 4.9 38 47 A A H 3< S+ 0 0 64 -4,-2.4 -36,-0.3 1,-0.3 -2,-0.2 0.782 107.2 42.4 -59.6 -27.3 11.8 -10.3 7.2 39 48 A K T 3< S+ 0 0 130 -4,-1.0 -1,-0.3 -5,-0.1 -2,-0.2 0.422 82.2 119.1-100.2 0.7 9.5 -10.7 4.1 40 49 A Y < - 0 0 42 -3,-1.5 4,-0.1 1,-0.1 -38,-0.1 -0.535 60.3-145.5 -66.0 125.6 11.6 -13.3 2.4 41 50 A P S S+ 0 0 93 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.109 72.1 69.2 -84.1 23.9 9.3 -16.3 2.1 42 51 A H S S- 0 0 101 -39,-0.0 2,-1.0 0, 0.0 -2,-0.1 -0.966 89.6-105.4-138.4 154.5 12.0 -19.0 2.6 43 52 A K - 0 0 157 -2,-0.3 -40,-0.1 1,-0.1 -41,-0.0 -0.707 47.4-121.4 -82.3 102.5 14.3 -20.0 5.5 44 53 A I - 0 0 6 -2,-1.0 3,-0.1 1,-0.1 -1,-0.1 -0.167 27.6-172.1 -48.5 126.7 17.6 -18.5 4.4 45 54 A K - 0 0 166 1,-0.2 2,-0.3 2,-0.0 -1,-0.1 0.426 63.7 -1.9-103.5 -2.2 20.4 -21.2 4.1 46 55 A S > - 0 0 37 1,-0.1 4,-1.4 22,-0.0 -1,-0.2 -0.965 69.0-102.2-176.8 163.8 23.4 -18.9 3.6 47 56 A G H > S+ 0 0 0 -2,-0.3 4,-1.7 1,-0.2 15,-0.1 0.758 119.0 58.5 -68.3 -24.1 24.7 -15.4 3.3 48 57 A A H > S+ 0 0 64 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.882 103.9 49.7 -72.1 -39.6 24.9 -15.9 -0.5 49 58 A E H 4 S+ 0 0 28 1,-0.2 3,-0.3 2,-0.2 4,-0.3 0.863 113.8 48.8 -65.4 -33.1 21.2 -16.7 -0.7 50 59 A A H >< S+ 0 0 0 -4,-1.4 3,-1.3 1,-0.2 -2,-0.2 0.806 100.4 62.9 -75.7 -31.5 20.7 -13.5 1.3 51 60 A K H 3< S+ 0 0 102 -4,-1.7 -1,-0.2 1,-0.3 5,-0.2 0.737 88.4 72.0 -67.7 -20.0 23.0 -11.4 -0.9 52 61 A K T 3< S+ 0 0 170 -4,-0.8 -1,-0.3 -3,-0.3 -2,-0.2 0.822 85.0 82.7 -63.6 -28.8 20.6 -12.0 -3.7 53 62 A L S X S- 0 0 27 -3,-1.3 3,-1.4 -4,-0.3 2,-0.3 -0.496 94.1-106.0 -77.7 144.6 18.1 -9.7 -2.0 54 63 A P T 3 S+ 0 0 100 0, 0.0 -18,-0.1 0, 0.0 3,-0.1 -0.532 105.2 32.2 -72.1 131.0 18.6 -5.9 -2.5 55 64 A G T 3 S+ 0 0 39 -2,-0.3 2,-0.7 1,-0.2 -22,-0.3 0.173 94.2 100.7 108.1 -17.7 20.0 -4.2 0.6 56 65 A V < + 0 0 8 -3,-1.4 -1,-0.2 -6,-0.2 2,-0.1 -0.909 51.7 174.0-104.3 113.0 22.1 -7.1 1.6 57 66 A G > - 0 0 34 -2,-0.7 4,-1.2 -3,-0.1 5,-0.1 -0.129 48.5 -74.4-100.5-160.0 25.7 -6.6 0.6 58 67 A T H > S+ 0 0 80 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.962 124.9 50.7 -63.0 -55.4 28.9 -8.5 1.2 59 68 A K H > S+ 0 0 129 1,-0.3 4,-2.1 2,-0.2 3,-0.3 0.895 112.8 43.7 -51.5 -52.6 29.4 -7.5 4.8 60 69 A I H > S+ 0 0 14 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.833 110.4 60.2 -65.2 -28.5 25.9 -8.5 6.0 61 70 A A H X S+ 0 0 10 -4,-1.2 4,-1.6 2,-0.2 -1,-0.2 0.861 106.2 45.3 -66.1 -36.9 26.3 -11.6 4.0 62 71 A E H X S+ 0 0 112 -4,-1.8 4,-2.6 -3,-0.3 -2,-0.2 0.934 110.4 53.0 -71.5 -45.9 29.4 -12.7 6.0 63 72 A K H X S+ 0 0 30 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.842 108.4 52.5 -57.7 -34.3 27.7 -11.8 9.3 64 73 A I H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.893 107.4 49.6 -70.2 -41.3 24.8 -14.0 8.2 65 74 A D H X S+ 0 0 75 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.918 111.9 50.3 -63.1 -40.9 27.1 -17.0 7.5 66 75 A E H X>S+ 0 0 35 -4,-2.6 4,-2.4 1,-0.2 5,-0.7 0.944 112.2 46.5 -61.2 -47.4 28.7 -16.5 10.9 67 76 A F H X5S+ 0 0 45 -4,-2.4 4,-0.6 1,-0.2 -1,-0.2 0.840 110.7 52.6 -64.2 -35.2 25.3 -16.4 12.5 68 77 A L H <5S+ 0 0 70 -4,-2.3 -1,-0.2 2,-0.1 -2,-0.2 0.838 115.9 40.1 -69.7 -33.8 24.1 -19.5 10.6 69 78 A A H <5S+ 0 0 86 -4,-1.9 -2,-0.2 -5,-0.2 -3,-0.2 0.966 132.3 19.0 -79.9 -59.2 27.1 -21.5 11.7 70 79 A T H <5S- 0 0 87 -4,-2.4 -3,-0.2 2,-0.3 -2,-0.1 0.853 96.2-123.2 -82.6 -35.9 27.6 -20.5 15.4 71 80 A G S < - 0 0 5 -2,-0.3 4,-2.2 1,-0.1 5,-0.1 -0.996 10.4-150.3-129.6 129.7 27.8 -12.9 16.1 74 83 A R H > S+ 0 0 171 -2,-0.4 4,-2.5 1,-0.2 5,-0.2 0.872 99.4 57.7 -64.8 -38.1 31.2 -12.1 17.7 75 84 A K H > S+ 0 0 87 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.899 111.8 40.8 -59.6 -43.3 30.8 -8.4 17.1 76 85 A L H > S+ 0 0 4 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.843 110.2 57.2 -75.3 -35.2 27.5 -8.4 19.0 77 86 A E H X S+ 0 0 86 -4,-2.2 4,-0.9 2,-0.2 -2,-0.2 0.951 113.6 41.8 -58.5 -46.8 28.8 -10.7 21.8 78 87 A K H >X S+ 0 0 151 -4,-2.5 3,-2.0 1,-0.2 4,-1.8 0.972 111.1 53.9 -63.2 -55.5 31.6 -8.1 22.3 79 88 A I H 3< S+ 0 0 21 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.840 106.2 55.6 -48.4 -36.0 29.3 -5.1 22.0 80 89 A R H 3< S+ 0 0 118 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.792 106.3 50.8 -68.6 -28.0 27.2 -6.7 24.7 81 90 A Q H << S+ 0 0 160 -3,-2.0 2,-0.4 -4,-0.9 -2,-0.2 0.852 86.3 94.6 -77.8 -36.7 30.3 -6.9 27.0 82 91 A D X - 0 0 73 -4,-1.8 4,-2.5 1,-0.2 5,-0.2 -0.415 64.6-154.1 -62.4 115.4 31.3 -3.2 26.6 83 92 A D H > S+ 0 0 120 -2,-0.4 4,-3.1 2,-0.2 5,-0.2 0.885 91.1 52.8 -58.5 -43.9 29.7 -1.3 29.5 84 93 A T H > S+ 0 0 53 1,-0.2 4,-3.6 2,-0.2 5,-0.3 0.969 112.9 44.0 -58.1 -53.2 29.6 2.1 27.7 85 94 A S H > S+ 0 0 10 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.895 114.2 50.8 -57.2 -43.2 27.7 0.5 24.7 86 95 A S H X S+ 0 0 48 -4,-2.5 4,-1.7 -7,-0.2 -1,-0.2 0.941 116.5 41.6 -59.8 -48.2 25.4 -1.4 27.1 87 96 A S H X S+ 0 0 16 -4,-3.1 4,-2.7 2,-0.2 3,-0.3 0.973 115.5 46.3 -64.7 -58.5 24.7 1.8 29.0 88 97 A I H X S+ 0 0 0 -4,-3.6 4,-1.5 1,-0.3 -1,-0.2 0.881 112.2 53.1 -54.7 -39.0 24.3 4.2 26.1 89 98 A N H < S+ 0 0 39 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.2 0.908 112.0 46.2 -64.1 -38.8 22.1 1.7 24.3 90 99 A F H >< S+ 0 0 47 -4,-1.7 3,-2.2 -3,-0.3 -2,-0.2 0.939 107.1 53.8 -70.1 -48.0 19.9 1.4 27.4 91 100 A L H >< S+ 0 0 0 -4,-2.7 3,-1.9 1,-0.3 6,-0.2 0.830 98.7 65.1 -57.3 -31.3 19.5 5.1 28.1 92 101 A T T 3< S+ 0 0 24 -4,-1.5 -1,-0.3 1,-0.3 4,-0.2 0.617 86.5 74.4 -66.6 -11.4 18.3 5.7 24.6 93 102 A R T < S+ 0 0 118 -3,-2.2 2,-0.5 -4,-0.2 -1,-0.3 0.543 76.0 89.0 -79.8 -7.4 15.3 3.6 25.5 94 103 A V S X S- 0 0 2 -3,-1.9 3,-2.3 -4,-0.2 2,-0.3 -0.815 93.4-111.7 -90.9 130.0 13.9 6.4 27.5 95 104 A S T 3 S+ 0 0 36 -2,-0.5 35,-0.4 1,-0.3 36,-0.2 -0.433 106.0 29.3 -61.3 121.5 11.7 8.6 25.3 96 105 A G T 3 S+ 0 0 34 1,-0.3 2,-0.6 -2,-0.3 -1,-0.3 0.090 97.8 99.5 114.5 -23.7 13.5 12.0 25.0 97 106 A I < + 0 0 7 -3,-2.3 -1,-0.3 -6,-0.2 -3,-0.1 -0.876 50.4 175.7 -99.8 124.0 17.0 10.5 25.4 98 107 A G > - 0 0 27 -2,-0.6 4,-2.6 -3,-0.1 5,-0.2 -0.445 50.3 -77.3-112.6-170.6 18.8 10.0 22.1 99 108 A P H > S+ 0 0 28 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.906 129.4 47.0 -55.8 -45.1 22.3 8.9 21.2 100 109 A S H > S+ 0 0 83 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.973 115.8 41.1 -63.1 -57.3 23.8 12.3 22.1 101 110 A A H > S+ 0 0 22 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.850 114.3 55.6 -61.3 -33.4 22.1 12.8 25.4 102 111 A A H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.965 109.1 44.6 -63.5 -51.8 22.7 9.1 26.2 103 112 A R H X S+ 0 0 88 -4,-2.4 4,-1.3 -5,-0.2 -1,-0.2 0.818 113.1 54.4 -62.0 -30.8 26.4 9.4 25.7 104 113 A K H >< S+ 0 0 125 -4,-1.9 3,-0.8 2,-0.2 -2,-0.2 0.982 107.0 47.1 -68.0 -56.9 26.4 12.6 27.7 105 114 A F H ><>S+ 0 0 14 -4,-2.5 3,-2.2 1,-0.3 5,-2.0 0.889 109.7 55.0 -50.6 -45.4 24.7 11.2 30.8 106 115 A V H ><5S+ 0 0 9 -4,-2.1 3,-2.3 1,-0.3 -1,-0.3 0.859 98.0 62.5 -58.2 -35.9 27.1 8.2 30.8 107 116 A D T <<5S+ 0 0 128 -4,-1.3 -1,-0.3 -3,-0.8 -2,-0.2 0.479 105.4 49.7 -68.0 -0.4 30.0 10.7 30.8 108 117 A E T < 5S- 0 0 84 -3,-2.2 -1,-0.3 -4,-0.2 -2,-0.2 0.049 122.5-106.1-123.0 20.3 28.5 11.7 34.1 109 118 A G T < 5S+ 0 0 45 -3,-2.3 2,-1.3 1,-0.2 -3,-0.2 0.479 81.5 132.3 68.7 0.2 28.3 8.2 35.5 110 119 A I < + 0 0 5 -5,-2.0 -1,-0.2 1,-0.2 -2,-0.2 -0.726 20.0 129.7 -85.3 94.8 24.5 8.3 35.0 111 120 A K + 0 0 72 -2,-1.3 2,-0.3 -3,-0.1 -1,-0.2 0.349 47.7 64.2-132.7 5.8 24.0 4.9 33.3 112 121 A T S > S- 0 0 60 -3,-0.2 4,-1.5 1,-0.1 5,-0.1 -0.828 84.9-106.8-127.4 169.4 21.2 3.0 35.0 113 122 A L H > S+ 0 0 45 -2,-0.3 4,-1.6 1,-0.2 3,-0.1 0.891 122.8 50.8 -57.8 -40.5 17.5 3.4 35.5 114 123 A E H > S+ 0 0 152 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.838 104.1 56.2 -66.8 -37.3 18.3 4.3 39.2 115 124 A D H > S+ 0 0 36 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.844 106.8 51.8 -64.9 -33.1 20.9 6.9 38.2 116 125 A L H < S+ 0 0 2 -4,-1.5 6,-0.2 2,-0.2 -2,-0.2 0.899 106.3 53.0 -69.5 -42.8 18.2 8.7 36.2 117 126 A R H >< S+ 0 0 140 -4,-1.6 3,-1.3 1,-0.2 -2,-0.2 0.921 110.8 44.2 -61.0 -46.9 15.7 8.8 39.0 118 127 A K H 3< S+ 0 0 156 -4,-1.8 -1,-0.2 1,-0.3 3,-0.2 0.703 119.1 46.7 -71.5 -17.6 18.1 10.4 41.5 119 128 A N T >< + 0 0 31 -4,-0.8 3,-2.7 -5,-0.2 -1,-0.3 0.005 69.2 125.2-111.5 25.6 19.2 12.8 38.7 120 129 A E G X + 0 0 64 -3,-1.3 3,-1.7 1,-0.3 -1,-0.2 0.744 63.8 73.4 -56.4 -23.4 15.7 13.7 37.4 121 130 A D G 3 S+ 0 0 120 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.710 91.4 57.7 -64.3 -19.5 16.8 17.3 38.0 122 131 A K G < S+ 0 0 91 -3,-2.7 2,-0.3 -6,-0.2 -1,-0.3 0.215 89.5 93.4 -97.3 15.1 19.0 16.9 34.9 123 132 A L S < S- 0 0 21 -3,-1.7 2,-0.1 -7,-0.1 -26,-0.0 -0.796 70.9-127.3-108.5 148.9 16.3 16.0 32.5 124 133 A N > - 0 0 84 -2,-0.3 4,-1.7 -28,-0.1 5,-0.1 -0.385 45.8 -90.7 -80.9 174.0 14.2 18.1 30.1 125 134 A H H > S+ 0 0 109 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.882 125.5 50.9 -52.4 -45.6 10.4 17.8 30.4 126 135 A H H > S+ 0 0 42 1,-0.2 4,-2.8 2,-0.2 3,-0.3 0.964 110.4 46.4 -57.9 -58.0 10.3 15.1 27.7 127 136 A Q H > S+ 0 0 12 -31,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.792 109.2 59.5 -57.5 -27.5 13.0 12.8 29.2 128 137 A R H X S+ 0 0 121 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.948 109.0 40.0 -67.4 -48.5 11.2 13.3 32.6 129 138 A I H X S+ 0 0 8 -4,-2.0 4,-2.6 -3,-0.3 -2,-0.2 0.893 112.8 57.6 -67.7 -38.5 7.9 11.8 31.4 130 139 A G H < S+ 0 0 1 -4,-2.8 -2,-0.2 -35,-0.4 -1,-0.2 0.944 110.9 41.7 -55.9 -49.9 9.8 9.2 29.5 131 140 A L H >< S+ 0 0 3 -4,-2.3 3,-2.1 -36,-0.2 4,-0.3 0.948 111.1 57.2 -62.2 -49.7 11.5 8.0 32.6 132 141 A K H 3< S+ 0 0 120 -4,-2.6 3,-0.3 1,-0.3 -2,-0.2 0.888 120.1 28.8 -47.4 -48.5 8.3 8.3 34.6 133 142 A Y T 3X S+ 0 0 24 -4,-2.6 4,-2.6 1,-0.2 -1,-0.3 0.057 83.2 127.7-104.8 25.7 6.5 5.9 32.3 134 143 A F H <> S+ 0 0 28 -3,-2.1 4,-0.5 1,-0.2 -1,-0.2 0.862 74.6 45.5 -48.6 -47.2 9.5 3.9 31.3 135 144 A G H >> S+ 0 0 39 -4,-0.3 3,-1.9 -3,-0.3 4,-0.6 0.992 114.1 45.9 -62.1 -61.5 8.0 0.6 32.1 136 145 A D H >4 S+ 0 0 38 1,-0.3 3,-1.9 2,-0.2 -2,-0.2 0.870 105.6 60.1 -48.6 -47.4 4.6 1.1 30.6 137 146 A F H 3< S+ 0 0 45 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.652 99.7 57.6 -61.1 -15.5 6.0 2.6 27.3 138 147 A E H << S+ 0 0 102 -3,-1.9 -1,-0.3 -4,-0.5 -2,-0.2 0.655 90.8 92.2 -88.1 -16.4 7.8 -0.7 26.7 139 148 A K S << S- 0 0 102 -3,-1.9 2,-0.2 -4,-0.6 -3,-0.0 -0.396 77.0-122.1 -77.0 153.8 4.6 -2.7 26.8 140 149 A R - 0 0 138 -2,-0.1 40,-0.2 38,-0.0 -1,-0.1 -0.553 18.7-123.9 -92.0 160.9 2.6 -3.4 23.6 141 150 A I E -A 179 0A 1 38,-2.6 38,-2.3 -2,-0.2 40,-0.1 -0.917 21.3-131.1-110.2 117.3 -1.1 -2.4 23.2 142 151 A P E >> -A 178 0A 55 0, 0.0 4,-2.4 0, 0.0 3,-1.2 -0.386 21.5-120.5 -63.4 141.2 -3.5 -5.2 22.3 143 152 A R H 3> S+ 0 0 63 34,-2.2 4,-2.7 1,-0.3 5,-0.2 0.824 113.5 63.0 -51.8 -32.3 -5.7 -4.3 19.4 144 153 A E H 3> S+ 0 0 152 33,-0.3 4,-1.3 2,-0.2 -1,-0.3 0.902 106.9 41.0 -61.3 -41.9 -8.7 -4.7 21.7 145 154 A E H <> S+ 0 0 29 -3,-1.2 4,-2.9 2,-0.2 5,-0.2 0.897 111.4 57.3 -70.9 -40.5 -7.5 -1.8 23.9 146 155 A M H X S+ 0 0 1 -4,-2.4 4,-2.7 1,-0.3 -2,-0.2 0.907 105.5 51.6 -54.2 -42.2 -6.6 0.1 20.7 147 156 A L H X S+ 0 0 75 -4,-2.7 4,-1.9 1,-0.2 -1,-0.3 0.866 109.5 49.4 -64.0 -36.6 -10.2 -0.4 19.7 148 157 A Q H X S+ 0 0 75 -4,-1.3 4,-2.1 2,-0.2 -2,-0.2 0.906 111.5 48.4 -67.3 -43.3 -11.3 1.0 23.1 149 158 A M H X S+ 0 0 1 -4,-2.9 4,-2.7 2,-0.2 -2,-0.2 0.918 107.5 55.8 -64.3 -42.2 -9.0 4.0 22.8 150 159 A Q H X S+ 0 0 53 -4,-2.7 4,-2.9 -5,-0.2 5,-0.3 0.952 107.5 50.4 -53.8 -51.2 -10.3 4.7 19.2 151 160 A D H X S+ 0 0 98 -4,-1.9 4,-2.4 1,-0.2 5,-0.3 0.930 110.7 47.1 -52.3 -55.1 -13.8 4.8 20.6 152 161 A I H X S+ 0 0 39 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.947 116.2 45.0 -53.9 -52.9 -13.0 7.3 23.3 153 162 A V H X S+ 0 0 1 -4,-2.7 4,-3.0 2,-0.2 5,-0.3 0.968 113.3 46.7 -58.3 -59.6 -11.0 9.6 21.0 154 163 A L H X S+ 0 0 58 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.877 116.7 46.0 -52.5 -40.8 -13.5 9.6 18.1 155 164 A N H X S+ 0 0 61 -4,-2.4 4,-1.6 -5,-0.3 -1,-0.2 0.895 113.5 47.3 -70.4 -41.0 -16.4 10.3 20.4 156 165 A E H X S+ 0 0 20 -4,-2.6 4,-1.0 -5,-0.3 -2,-0.2 0.875 112.7 49.7 -69.0 -37.1 -14.6 13.0 22.4 157 166 A V H >X S+ 0 0 3 -4,-3.0 4,-1.8 -5,-0.2 3,-1.1 0.950 107.8 54.8 -65.2 -45.4 -13.5 14.7 19.2 158 167 A K H 3< S+ 0 0 127 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.859 104.6 55.0 -54.5 -37.6 -17.0 14.5 17.9 159 168 A K H 3< S+ 0 0 133 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.755 105.7 50.7 -69.7 -26.6 -18.2 16.4 21.1 160 169 A V H << S- 0 0 38 -3,-1.1 -1,-0.2 -4,-1.0 2,-0.2 0.863 137.8 -16.3 -77.2 -37.1 -15.8 19.3 20.5 161 170 A D >< - 0 0 46 -4,-1.8 3,-2.2 -5,-0.1 -1,-0.3 -0.726 53.9-140.8-172.7 118.0 -17.0 19.7 16.9 162 171 A S T 3 S+ 0 0 99 1,-0.3 -4,-0.1 -2,-0.2 -3,-0.1 0.607 100.1 64.6 -58.0 -14.0 -19.0 17.3 14.7 163 172 A E T 3 S+ 0 0 111 -5,-0.1 -1,-0.3 2,-0.0 2,-0.2 0.525 77.3 103.7 -91.2 -3.8 -16.9 18.3 11.7 164 173 A Y < - 0 0 15 -3,-2.2 2,-0.5 -7,-0.2 24,-0.2 -0.495 56.7-157.4 -73.6 145.9 -13.7 16.9 13.0 165 174 A I E -B 187 0B 78 22,-2.1 22,-1.7 -2,-0.2 2,-0.5 -0.987 6.0-167.4-128.9 121.3 -12.5 13.6 11.5 166 175 A A E -B 186 0B 13 -2,-0.5 2,-0.5 20,-0.2 20,-0.2 -0.944 3.7-174.2-114.2 121.4 -10.2 11.4 13.6 167 176 A T E -B 185 0B 28 18,-2.2 18,-3.3 -2,-0.5 2,-0.6 -0.960 18.9-141.6-118.2 120.7 -8.4 8.5 11.9 168 177 A V E +B 184 0B 5 -2,-0.5 16,-0.2 16,-0.2 -2,-0.0 -0.701 36.4 162.3 -80.8 119.9 -6.3 6.0 13.9 169 178 A C >> + 0 0 1 14,-2.8 4,-1.6 -2,-0.6 3,-0.7 0.246 25.4 82.2-110.4-129.2 -3.3 5.2 11.7 170 179 A G H >> S- 0 0 3 93,-1.5 4,-1.2 1,-0.2 3,-0.8 -0.056 113.8 -29.3 55.2-162.4 0.0 3.7 12.5 171 180 A S H 34>S+ 0 0 16 1,-0.3 5,-2.4 2,-0.2 -1,-0.2 0.768 136.8 68.7 -57.4 -25.2 0.3 -0.1 12.7 172 181 A F H X45S+ 0 0 12 -3,-0.7 3,-1.8 1,-0.2 -1,-0.3 0.953 101.1 43.9 -59.0 -49.2 -3.3 -0.1 13.9 173 182 A R H <<5S+ 0 0 62 -4,-1.6 -1,-0.2 -3,-0.8 149,-0.2 0.772 106.3 63.4 -66.8 -24.5 -4.5 1.0 10.4 174 183 A R T 3<5S- 0 0 43 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.404 122.4-107.7 -79.0 3.0 -2.2 -1.6 9.0 175 184 A G T < 5 + 0 0 42 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.552 57.6 171.0 83.3 9.8 -4.3 -4.2 10.8 176 185 A A < - 0 0 25 -5,-2.4 -1,-0.2 1,-0.1 3,-0.1 -0.161 38.0-138.3 -56.6 143.4 -1.7 -5.1 13.5 177 186 A E S S+ 0 0 153 1,-0.2 -34,-2.2 -35,-0.1 2,-0.3 0.624 91.3 13.8 -76.0 -15.7 -2.7 -7.4 16.4 178 187 A S E S-A 142 0A 37 -36,-0.3 2,-0.3 -35,-0.1 -1,-0.2 -0.972 73.9-150.5-155.3 151.6 -0.9 -5.1 18.8 179 188 A S E -A 141 0A 1 -38,-2.3 -38,-2.6 -2,-0.3 3,-0.1 -0.939 22.1-137.0-130.5 152.6 0.6 -1.6 18.5 180 189 A G S S- 0 0 39 -2,-0.3 65,-0.4 -40,-0.2 2,-0.2 0.833 87.8 -29.5 -71.7 -31.7 3.5 0.3 20.1 181 190 A D S S- 0 0 30 63,-0.1 2,-0.5 -40,-0.1 -9,-0.2 -0.886 72.0 -81.7-162.6-169.4 1.2 3.3 20.5 182 191 A M E - c 0 246B 0 63,-1.5 65,-2.5 -2,-0.2 2,-0.5 -0.964 32.7-167.7-117.2 124.3 -1.8 5.2 19.1 183 192 A D E - c 0 247B 23 -2,-0.5 -14,-2.8 -14,-0.3 2,-0.5 -0.956 7.3-167.4-114.1 124.8 -1.4 7.5 16.1 184 193 A V E -Bc 168 248B 2 63,-2.8 65,-3.0 -2,-0.5 2,-0.4 -0.947 9.9-157.1-120.6 121.0 -4.2 9.8 15.3 185 194 A L E -Bc 167 249B 1 -18,-3.3 -18,-2.2 -2,-0.5 2,-0.4 -0.746 17.1-162.9 -90.9 139.7 -4.7 11.9 12.2 186 195 A L E +Bc 166 250B 0 63,-3.5 65,-2.6 -2,-0.4 2,-0.3 -0.984 12.8 173.0-129.1 136.0 -6.9 14.9 12.6 187 196 A T E +B 165 0B 3 -22,-1.7 -22,-2.1 -2,-0.4 5,-0.1 -0.960 4.8 179.3-135.9 156.9 -8.7 17.0 10.0 188 197 A H > - 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