==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 27-MAR-13 4JWN . COMPND 2 MOLECULE: DNA POLYMERASE BETA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR V.K.BATRA,L.PERERA,L.PING,D.D.SHOCK,W.A.BEARD,L.C.PEDERSEN, . 326 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17269.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 229 70.2 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 . 15 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 124 38.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.1 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 2 2 0 1 2 2 1 1 0 1 1 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 0 174 0, 0.0 3,-0.7 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 51.8 9.5 -15.4 11.9 2 11 A L T 3 + 0 0 94 36,-0.3 3,-0.1 1,-0.2 36,-0.1 0.853 360.0 22.4 -67.4 -33.4 11.3 -17.7 9.4 3 12 A N T 3> S+ 0 0 14 1,-0.1 4,-2.5 35,-0.1 5,-0.3 -0.285 76.5 143.6-131.0 43.6 14.4 -15.8 10.2 4 13 A G H <> S+ 0 0 19 -3,-0.7 4,-2.2 1,-0.2 5,-0.2 0.873 75.3 53.9 -51.4 -40.0 13.7 -14.3 13.6 5 14 A G H > S+ 0 0 33 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.955 110.4 43.7 -61.8 -54.2 17.4 -14.8 14.5 6 15 A I H > S+ 0 0 6 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.951 115.6 46.6 -55.9 -52.8 18.8 -13.0 11.6 7 16 A T H X S+ 0 0 22 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.900 111.3 53.3 -65.2 -36.9 16.5 -10.0 11.7 8 17 A D H X S+ 0 0 104 -4,-2.2 4,-2.7 -5,-0.3 -1,-0.2 0.942 108.0 51.0 -55.0 -49.9 17.0 -9.7 15.4 9 18 A M H X S+ 0 0 6 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.898 111.5 46.3 -57.8 -42.8 20.8 -9.6 14.8 10 19 A L H X S+ 0 0 0 -4,-2.2 4,-3.4 2,-0.2 -1,-0.2 0.889 110.3 53.6 -70.0 -37.3 20.5 -6.9 12.3 11 20 A T H X S+ 0 0 58 -4,-2.4 4,-3.5 2,-0.2 5,-0.2 0.977 110.9 46.4 -60.6 -53.8 18.1 -4.9 14.5 12 21 A E H X S+ 0 0 67 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.903 113.6 49.1 -51.0 -46.5 20.6 -5.1 17.3 13 22 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.926 112.3 48.9 -59.7 -42.9 23.3 -4.1 14.9 14 23 A A H X S+ 0 0 0 -4,-3.4 4,-2.6 1,-0.2 -2,-0.2 0.947 110.6 49.4 -62.7 -50.5 21.2 -1.2 13.6 15 24 A N H X S+ 0 0 63 -4,-3.5 4,-3.3 1,-0.2 5,-0.4 0.888 110.8 50.8 -54.5 -43.1 20.4 -0.0 17.2 16 25 A F H X>S+ 0 0 24 -4,-2.4 4,-2.4 -5,-0.2 5,-1.5 0.912 110.1 49.2 -62.1 -46.3 24.1 -0.1 18.1 17 26 A E H <>S+ 0 0 8 -4,-2.3 6,-2.4 3,-0.2 5,-0.5 0.926 118.8 38.9 -61.5 -43.8 25.1 1.9 15.0 18 27 A K H <5S+ 0 0 71 -4,-2.6 -2,-0.2 4,-0.2 -1,-0.2 0.919 124.2 35.9 -71.8 -45.8 22.4 4.5 15.7 19 28 A N H <5S+ 0 0 12 -4,-3.3 -3,-0.2 -5,-0.2 -2,-0.2 0.840 132.3 20.5 -82.3 -34.1 22.7 4.7 19.5 20 29 A V T <5S+ 0 0 11 -4,-2.4 -3,-0.2 -5,-0.4 -2,-0.1 0.887 131.7 32.2-103.0 -53.6 26.4 4.3 20.0 21 30 A S T > - 0 0 28 -6,-2.4 4,-2.0 1,-0.1 3,-0.7 -0.736 26.0-177.0-112.6 79.3 26.3 6.4 12.3 24 33 A I H 3> S+ 0 0 79 -2,-0.6 4,-1.6 1,-0.3 -1,-0.1 0.665 76.3 54.1 -60.8 -21.7 22.8 6.9 11.0 25 34 A H H 3> S+ 0 0 150 2,-0.2 4,-2.7 1,-0.2 -1,-0.3 0.896 106.4 50.2 -79.5 -40.3 23.4 5.4 7.6 26 35 A K H <> S+ 0 0 118 -3,-0.7 4,-2.8 1,-0.2 5,-0.3 0.949 110.1 54.4 -57.2 -42.9 24.7 2.2 9.0 27 36 A Y H X S+ 0 0 31 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.909 110.8 43.3 -59.0 -44.3 21.6 2.2 11.1 28 37 A N H X S+ 0 0 39 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.839 111.2 54.2 -74.0 -30.4 19.3 2.5 8.1 29 38 A A H X S+ 0 0 52 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.960 110.5 46.6 -64.7 -50.3 21.2 -0.0 6.0 30 39 A Y H X S+ 0 0 21 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.865 112.3 51.2 -57.5 -37.0 20.8 -2.6 8.8 31 40 A R H X S+ 0 0 38 -4,-1.7 4,-2.1 -5,-0.3 -1,-0.2 0.886 110.3 47.7 -73.9 -34.8 17.1 -1.8 9.2 32 41 A K H X S+ 0 0 103 -4,-2.2 4,-2.4 2,-0.2 5,-0.3 0.912 110.5 52.8 -67.0 -43.4 16.5 -2.2 5.4 33 42 A A H X S+ 0 0 0 -4,-2.7 4,-1.6 22,-0.2 -2,-0.2 0.901 111.8 46.2 -56.7 -42.3 18.4 -5.5 5.5 34 43 A A H X S+ 0 0 8 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.886 111.2 51.4 -68.1 -42.5 16.1 -6.7 8.3 35 44 A S H X S+ 0 0 15 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.951 112.6 44.2 -59.2 -51.6 12.9 -5.5 6.7 36 45 A V H < S+ 0 0 22 -4,-2.4 4,-0.4 1,-0.2 -1,-0.2 0.844 114.4 49.1 -69.1 -33.0 13.6 -7.2 3.4 37 46 A I H < S+ 0 0 0 -4,-1.6 3,-0.2 -5,-0.3 -1,-0.2 0.775 105.2 61.5 -73.0 -25.9 14.7 -10.5 5.1 38 47 A A H < S+ 0 0 67 -4,-1.5 -36,-0.3 1,-0.2 -2,-0.2 0.813 108.5 39.3 -73.0 -31.3 11.6 -10.4 7.2 39 48 A K S < S+ 0 0 134 -4,-1.2 -1,-0.2 -3,-0.2 -2,-0.2 0.455 86.1 116.4 -96.9 -2.1 9.2 -10.6 4.3 40 49 A Y - 0 0 42 -4,-0.4 -38,-0.2 -3,-0.2 4,-0.1 -0.578 63.7-144.3 -67.3 117.5 11.5 -13.1 2.5 41 50 A P + 0 0 98 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.172 69.7 74.6 -80.4 19.7 9.2 -16.2 2.4 42 51 A H S S- 0 0 100 -39,-0.0 2,-0.8 -2,-0.0 -2,-0.1 -0.943 86.5-108.7-130.3 151.0 12.0 -18.8 2.8 43 52 A K - 0 0 149 -2,-0.3 -40,-0.1 1,-0.1 -41,-0.0 -0.689 47.5-120.3 -75.2 109.2 14.2 -20.0 5.7 44 53 A I - 0 0 4 -2,-0.8 3,-0.1 1,-0.2 -1,-0.1 -0.278 31.5-176.8 -61.6 133.3 17.6 -18.5 4.8 45 54 A K + 0 0 154 1,-0.2 2,-0.3 2,-0.0 -1,-0.2 0.477 61.3 10.3-110.1 -7.1 20.2 -21.2 4.4 46 55 A S > - 0 0 36 1,-0.1 4,-1.0 22,-0.0 -1,-0.2 -0.990 66.0-111.7-168.3 158.5 23.2 -19.0 3.7 47 56 A G H >> S+ 0 0 0 -2,-0.3 4,-2.2 1,-0.2 3,-0.7 0.927 117.4 52.6 -57.1 -45.2 24.8 -15.6 3.5 48 57 A A H 3> S+ 0 0 66 1,-0.3 4,-1.0 2,-0.2 -1,-0.2 0.855 103.3 54.6 -66.2 -39.3 25.0 -15.8 -0.3 49 58 A E H 34 S+ 0 0 35 1,-0.2 -1,-0.3 2,-0.2 4,-0.2 0.771 112.4 47.8 -60.3 -24.9 21.3 -16.6 -0.7 50 59 A A H X< S+ 0 0 0 -4,-1.0 3,-2.4 -3,-0.7 -2,-0.2 0.865 97.1 67.1 -85.7 -37.5 20.7 -13.5 1.3 51 60 A K H 3< S+ 0 0 103 -4,-2.2 5,-0.2 1,-0.3 -2,-0.2 0.817 89.6 70.1 -50.2 -30.7 23.1 -11.3 -0.7 52 61 A K T 3< S+ 0 0 179 -4,-1.0 -1,-0.3 2,-0.1 -2,-0.2 0.795 82.8 85.1 -60.8 -30.7 20.6 -11.8 -3.5 53 62 A L S X S- 0 0 28 -3,-2.4 3,-1.1 -4,-0.2 2,-0.3 -0.409 92.4-109.6 -70.0 148.5 18.1 -9.6 -1.6 54 63 A P T 3 S+ 0 0 98 0, 0.0 3,-0.1 0, 0.0 -18,-0.1 -0.662 108.0 32.9 -83.5 136.2 18.5 -5.8 -2.2 55 64 A G T 3 S+ 0 0 38 -2,-0.3 2,-0.8 1,-0.2 -22,-0.2 0.080 97.0 103.0 97.5 -22.6 19.8 -4.1 0.9 56 65 A V < + 0 0 9 -3,-1.1 -1,-0.2 -6,-0.2 2,-0.1 -0.887 50.1 164.8 -94.6 113.2 21.8 -7.3 1.6 57 66 A G > - 0 0 34 -2,-0.8 4,-1.1 -3,-0.1 -4,-0.1 -0.163 51.1 -75.6-104.7-158.4 25.4 -6.6 0.6 58 67 A T H > S+ 0 0 77 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.895 123.5 51.0 -77.1 -44.0 28.7 -8.4 1.4 59 68 A K H > S+ 0 0 128 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.935 113.9 45.4 -62.1 -45.1 29.3 -7.3 4.9 60 69 A I H > S+ 0 0 15 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.821 110.4 56.7 -68.4 -28.4 25.8 -8.4 6.0 61 70 A A H X S+ 0 0 8 -4,-1.1 4,-2.2 2,-0.2 -2,-0.2 0.904 107.2 45.7 -70.6 -43.8 26.3 -11.6 4.0 62 71 A E H X S+ 0 0 112 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.944 112.3 53.0 -62.4 -45.7 29.4 -12.7 5.9 63 72 A K H X S+ 0 0 29 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.912 108.8 49.0 -55.1 -45.4 27.7 -11.8 9.2 64 73 A I H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.900 109.9 51.3 -64.4 -43.3 24.7 -13.9 8.3 65 74 A D H X S+ 0 0 74 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.920 110.3 50.3 -54.4 -46.0 27.0 -16.9 7.5 66 75 A E H X S+ 0 0 41 -4,-2.9 4,-2.3 1,-0.2 6,-0.5 0.923 112.0 48.1 -60.2 -38.9 28.7 -16.4 10.8 67 76 A F H X S+ 0 0 44 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.888 109.0 50.8 -71.9 -40.3 25.3 -16.4 12.5 68 77 A L H < S+ 0 0 76 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.830 115.0 45.9 -63.9 -31.5 24.0 -19.5 10.8 69 78 A A H < S+ 0 0 84 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.957 127.9 19.1 -78.5 -52.2 27.1 -21.3 11.8 70 79 A T H < S- 0 0 85 -4,-2.3 -3,-0.2 2,-0.3 -2,-0.2 0.715 97.9-117.4 -94.0 -22.5 27.7 -20.4 15.5 71 80 A G S < S+ 0 0 50 -4,-1.8 2,-0.3 -5,-0.4 -4,-0.2 0.429 87.2 45.7 93.2 4.8 24.2 -19.2 16.4 72 81 A K S S- 0 0 72 -6,-0.5 2,-0.4 -5,-0.0 -2,-0.3 -0.864 78.1-106.6-156.7-170.4 25.6 -15.8 17.1 73 82 A L >> - 0 0 5 -2,-0.3 4,-2.0 1,-0.1 3,-0.5 -0.989 11.9-155.8-134.9 122.0 27.8 -12.9 16.2 74 83 A R H 3> S+ 0 0 142 -2,-0.4 4,-2.7 1,-0.2 5,-0.3 0.906 96.5 62.8 -65.5 -39.3 31.0 -12.1 18.0 75 84 A K H 3> S+ 0 0 81 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.833 108.9 43.3 -53.1 -33.3 30.8 -8.5 17.1 76 85 A L H <> S+ 0 0 4 -3,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.845 107.5 57.9 -81.1 -38.4 27.6 -8.4 19.2 77 86 A E H X S+ 0 0 75 -4,-2.0 4,-1.9 1,-0.2 3,-0.3 0.976 109.8 45.9 -50.6 -55.6 29.1 -10.5 22.1 78 87 A K H X S+ 0 0 137 -4,-2.7 4,-1.2 1,-0.2 -1,-0.2 0.897 111.5 51.9 -55.2 -43.5 31.8 -7.8 22.5 79 88 A I H < S+ 0 0 21 -4,-1.1 7,-0.3 -5,-0.3 -1,-0.2 0.852 108.2 51.2 -65.4 -34.5 29.2 -5.0 22.3 80 89 A R H < S+ 0 0 110 -4,-2.4 -1,-0.2 -3,-0.3 -2,-0.2 0.861 110.3 48.9 -70.8 -36.1 27.0 -6.6 25.0 81 90 A Q H < S+ 0 0 161 -4,-1.9 2,-1.0 -5,-0.2 -1,-0.2 0.689 87.6 98.1 -72.9 -23.2 30.0 -6.9 27.3 82 91 A D X - 0 0 75 -4,-1.2 4,-2.3 -5,-0.2 3,-0.3 -0.567 62.7-159.4 -76.3 104.9 31.1 -3.4 26.8 83 92 A D H > S+ 0 0 87 -2,-1.0 4,-2.3 1,-0.2 5,-0.2 0.887 87.0 51.0 -50.0 -47.5 29.6 -1.5 29.7 84 93 A T H > S+ 0 0 55 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.912 111.9 48.5 -65.9 -37.5 29.7 2.0 28.2 85 94 A S H > S+ 0 0 11 -3,-0.3 4,-2.8 2,-0.2 5,-0.2 0.933 111.3 47.7 -62.3 -50.5 27.8 0.7 25.1 86 95 A S H X S+ 0 0 47 -4,-2.3 4,-2.4 -7,-0.3 -2,-0.2 0.878 112.4 51.1 -60.5 -40.0 25.1 -1.1 26.9 87 96 A S H X S+ 0 0 11 -4,-2.3 4,-2.7 -5,-0.3 -1,-0.2 0.946 112.6 43.7 -62.1 -51.2 24.5 1.9 29.2 88 97 A I H X S+ 0 0 1 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.899 115.5 50.0 -60.3 -43.3 24.2 4.3 26.2 89 98 A N H < S+ 0 0 38 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.878 111.2 49.5 -61.7 -41.3 22.0 1.8 24.4 90 99 A F H >< S+ 0 0 50 -4,-2.4 3,-1.9 -5,-0.2 4,-0.3 0.951 106.8 53.6 -66.0 -47.6 19.9 1.4 27.5 91 100 A L H >< S+ 0 0 0 -4,-2.7 3,-2.0 1,-0.3 -1,-0.2 0.819 96.4 66.5 -59.2 -32.7 19.4 5.2 28.1 92 101 A T T 3< S+ 0 0 26 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.1 0.375 85.3 75.2 -72.7 8.0 18.1 5.7 24.6 93 102 A R T < S+ 0 0 131 -3,-1.9 2,-0.7 2,-0.1 -1,-0.3 0.654 75.2 89.9 -89.8 -17.0 15.1 3.6 25.6 94 103 A V S X S- 0 0 2 -3,-2.0 3,-2.4 -4,-0.3 37,-0.1 -0.712 93.6-110.3 -78.5 114.8 13.7 6.5 27.6 95 104 A S T 3 S+ 0 0 30 -2,-0.7 35,-0.3 35,-0.3 36,-0.2 -0.117 103.4 24.0 -42.0 124.2 11.5 8.6 25.4 96 105 A G T 3 S+ 0 0 34 1,-0.2 2,-0.6 -4,-0.1 31,-0.3 0.306 100.1 98.4 98.8 -9.3 13.2 12.0 24.7 97 106 A I < + 0 0 5 -3,-2.4 -1,-0.2 -6,-0.2 -3,-0.1 -0.950 51.6 173.5-110.4 114.1 16.7 10.8 25.3 98 107 A G > - 0 0 27 -2,-0.6 4,-3.2 -3,-0.1 5,-0.3 -0.327 50.8 -67.5-105.7-164.9 18.6 9.9 22.1 99 108 A P H > S+ 0 0 28 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.832 129.8 46.0 -52.2 -41.0 22.2 8.9 21.2 100 109 A S H > S+ 0 0 81 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.973 116.4 40.9 -70.3 -56.6 23.6 12.3 22.1 101 110 A A H > S+ 0 0 23 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.904 115.2 53.9 -58.6 -38.7 21.9 12.8 25.4 102 111 A A H X S+ 0 0 0 -4,-3.2 4,-2.3 1,-0.2 -1,-0.2 0.927 109.9 46.4 -62.5 -44.3 22.5 9.2 26.3 103 112 A R H X S+ 0 0 83 -4,-1.8 4,-1.2 -5,-0.3 -1,-0.2 0.854 112.2 52.0 -66.8 -33.7 26.2 9.5 25.6 104 113 A K H X S+ 0 0 130 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.877 110.2 47.3 -70.8 -38.3 26.3 12.8 27.7 105 114 A F H X>S+ 0 0 12 -4,-2.5 5,-2.9 1,-0.2 4,-0.7 0.940 110.0 52.4 -65.5 -47.7 24.6 11.2 30.7 106 115 A V H <5S+ 0 0 8 -4,-2.3 -1,-0.2 3,-0.2 -2,-0.2 0.756 106.1 55.1 -62.0 -26.9 26.9 8.2 30.6 107 116 A D H <5S+ 0 0 117 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.923 107.1 49.4 -67.5 -46.2 29.9 10.6 30.6 108 117 A E H <5S- 0 0 90 -4,-1.6 -2,-0.2 2,-0.1 -1,-0.2 0.578 127.7-103.1 -66.1 -12.4 28.6 12.2 33.8 109 118 A G T <5S+ 0 0 40 -4,-0.7 2,-0.9 1,-0.2 -3,-0.2 0.690 80.1 135.1 93.0 21.6 28.2 8.7 35.2 110 119 A I < + 0 0 7 -5,-2.9 -1,-0.2 1,-0.1 -2,-0.1 -0.839 17.0 139.4-100.6 93.6 24.5 8.4 34.8 111 120 A K + 0 0 59 -2,-0.9 2,-0.3 -5,-0.1 -1,-0.1 0.360 49.0 49.3-123.8 8.0 24.1 4.9 33.4 112 121 A T S > S- 0 0 57 1,-0.1 4,-2.4 -22,-0.1 5,-0.2 -0.853 83.0-102.8-138.6 175.4 21.1 3.2 35.0 113 122 A L H > S+ 0 0 36 -2,-0.3 4,-2.3 2,-0.2 5,-0.1 0.913 123.7 51.2 -64.9 -43.7 17.4 3.7 35.8 114 123 A E H > S+ 0 0 146 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.933 110.2 49.3 -54.9 -48.8 18.3 4.3 39.4 115 124 A D H 4 S+ 0 0 27 1,-0.2 4,-0.4 2,-0.2 3,-0.3 0.904 111.9 48.9 -61.2 -43.1 20.9 6.9 38.3 116 125 A L H >< S+ 0 0 1 -4,-2.4 3,-0.9 1,-0.2 -1,-0.2 0.887 107.8 54.9 -61.7 -40.6 18.3 8.6 36.0 117 126 A R H >< S+ 0 0 149 -4,-2.3 3,-0.6 1,-0.3 -1,-0.2 0.795 109.0 45.6 -67.0 -30.7 15.8 8.7 38.8 118 127 A K T 3< S+ 0 0 133 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.408 112.8 51.1 -96.8 0.9 18.0 10.5 41.2 119 128 A N T X + 0 0 29 -3,-0.9 3,-3.0 -4,-0.4 -1,-0.2 -0.007 66.7 130.8-122.3 25.8 19.2 13.0 38.7 120 129 A E G X + 0 0 75 -3,-0.6 3,-2.4 1,-0.3 -1,-0.1 0.807 62.8 69.6 -48.4 -37.4 15.7 14.0 37.4 121 130 A D G 3 S+ 0 0 122 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.692 93.6 61.0 -58.5 -14.9 16.6 17.7 37.8 122 131 A K G < S+ 0 0 100 -3,-3.0 2,-0.3 -6,-0.2 -1,-0.3 0.457 89.3 87.6 -92.2 -0.4 19.0 17.1 34.8 123 132 A L S < S- 0 0 15 -3,-2.4 -26,-0.0 -4,-0.2 2,-0.0 -0.751 72.9-126.7-102.1 145.3 16.3 16.1 32.3 124 133 A N > - 0 0 85 -2,-0.3 4,-2.0 -28,-0.1 5,-0.2 -0.173 44.2 -89.3 -72.3 180.0 14.2 18.3 30.0 125 134 A H H > S+ 0 0 101 2,-0.2 4,-2.5 1,-0.2 3,-0.4 0.966 125.3 47.1 -59.7 -57.9 10.4 17.9 30.2 126 135 A H H > S+ 0 0 49 93,-0.3 4,-3.4 1,-0.3 -1,-0.2 0.899 113.7 49.0 -47.9 -50.1 10.0 15.2 27.5 127 136 A Q H > S+ 0 0 15 -31,-0.3 4,-2.1 1,-0.2 -1,-0.3 0.862 109.4 53.2 -61.4 -37.8 12.8 13.1 29.1 128 137 A R H X S+ 0 0 100 -4,-2.0 4,-2.4 -3,-0.4 -1,-0.2 0.917 113.3 41.8 -65.6 -46.7 11.2 13.5 32.5 129 138 A I H X S+ 0 0 9 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.937 110.7 57.5 -65.7 -45.0 7.9 12.2 31.3 130 139 A G H < S+ 0 0 1 -4,-3.4 -35,-0.3 -35,-0.3 -2,-0.2 0.906 111.1 43.7 -48.7 -43.8 9.6 9.5 29.3 131 140 A L H >< S+ 0 0 5 -4,-2.1 3,-2.3 -36,-0.2 4,-0.3 0.932 105.6 61.1 -70.6 -48.0 11.2 8.3 32.6 132 141 A K H 3< S+ 0 0 129 -4,-2.4 3,-0.3 1,-0.3 -2,-0.2 0.915 116.9 32.2 -37.2 -54.1 8.0 8.6 34.6 133 142 A Y T 3X S+ 0 0 25 -4,-2.1 4,-2.8 1,-0.2 -1,-0.3 -0.026 80.6 128.0-103.9 29.8 6.3 6.1 32.3 134 143 A F H <> S+ 0 0 23 -3,-2.3 4,-0.8 1,-0.2 -1,-0.2 0.928 76.8 42.5 -52.3 -53.5 9.4 4.0 31.5 135 144 A G H >4 S+ 0 0 37 -3,-0.3 3,-1.4 -4,-0.3 4,-0.4 0.956 115.5 47.9 -59.6 -53.5 7.8 0.7 32.5 136 145 A D H >4 S+ 0 0 40 1,-0.3 3,-1.9 2,-0.2 -1,-0.2 0.874 107.1 56.8 -53.8 -43.3 4.4 1.4 30.8 137 146 A F H 3< S+ 0 0 30 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.697 97.5 63.7 -67.9 -17.3 6.0 2.5 27.6 138 147 A E T << S+ 0 0 97 -3,-1.4 2,-0.3 -4,-0.8 -1,-0.3 0.634 90.9 86.4 -76.2 -17.1 7.8 -0.8 27.4 139 148 A K S < S- 0 0 105 -3,-1.9 2,-0.1 -4,-0.4 -3,-0.0 -0.674 75.0-131.0 -93.2 140.3 4.5 -2.5 27.0 140 149 A R - 0 0 138 -2,-0.3 40,-0.2 104,-0.1 -1,-0.1 -0.300 20.1-119.6 -77.2 169.5 2.6 -3.0 23.8 141 150 A I E -A 179 0A 0 38,-2.3 38,-2.1 40,-0.1 40,-0.1 -0.953 21.4-132.8-114.5 117.3 -1.1 -2.2 23.3 142 151 A P E >> -A 178 0A 59 0, 0.0 4,-1.6 0, 0.0 3,-1.2 -0.440 23.9-117.7 -68.4 150.8 -3.4 -5.1 22.4 143 152 A R H 3> S+ 0 0 63 34,-2.2 4,-2.8 1,-0.3 5,-0.2 0.819 114.4 64.4 -58.6 -31.2 -5.7 -4.1 19.5 144 153 A E H 3> S+ 0 0 139 33,-0.3 4,-1.1 1,-0.2 -1,-0.3 0.874 104.9 45.3 -59.0 -37.9 -8.7 -4.6 21.9 145 154 A E H <> S+ 0 0 27 -3,-1.2 4,-2.6 2,-0.2 -1,-0.2 0.834 108.8 56.6 -71.8 -33.1 -7.3 -1.7 23.9 146 155 A M H X S+ 0 0 1 -4,-1.6 4,-3.2 1,-0.2 -2,-0.2 0.906 103.3 54.6 -66.0 -39.6 -6.8 0.3 20.8 147 156 A L H X S+ 0 0 65 -4,-2.8 4,-1.6 2,-0.2 -1,-0.2 0.865 110.2 45.8 -59.9 -36.9 -10.4 -0.2 19.9 148 157 A Q H X S+ 0 0 78 -4,-1.1 4,-2.2 2,-0.2 -2,-0.2 0.920 114.0 48.2 -71.8 -44.2 -11.4 1.3 23.2 149 158 A M H X S+ 0 0 2 -4,-2.6 4,-3.2 1,-0.2 -2,-0.2 0.929 110.0 52.6 -60.8 -45.1 -9.0 4.1 22.9 150 159 A Q H X S+ 0 0 55 -4,-3.2 4,-3.0 1,-0.2 5,-0.3 0.903 108.7 50.5 -53.8 -44.5 -10.2 4.8 19.3 151 160 A D H X S+ 0 0 100 -4,-1.6 4,-1.7 -5,-0.2 -1,-0.2 0.899 112.3 46.4 -70.8 -38.0 -13.8 5.0 20.5 152 161 A I H X S+ 0 0 33 -4,-2.2 4,-2.1 2,-0.2 5,-0.3 0.956 114.6 46.8 -60.2 -52.7 -12.8 7.5 23.3 153 162 A V H X S+ 0 0 1 -4,-3.2 4,-1.6 1,-0.2 -2,-0.2 0.920 115.4 44.5 -61.5 -44.2 -10.8 9.6 20.9 154 163 A L H X S+ 0 0 56 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.869 114.3 48.7 -70.4 -36.3 -13.3 9.8 18.1 155 164 A N H X S+ 0 0 57 -4,-1.7 4,-1.0 -5,-0.3 -1,-0.2 0.831 112.6 47.4 -71.9 -31.3 -16.3 10.4 20.4 156 165 A E H X S+ 0 0 23 -4,-2.1 4,-0.9 2,-0.2 -1,-0.2 0.798 111.7 51.2 -80.3 -28.2 -14.5 13.2 22.3 157 166 A V H >X S+ 0 0 4 -4,-1.6 4,-1.7 -5,-0.3 3,-0.9 0.937 107.6 52.0 -71.3 -47.6 -13.4 14.8 19.1 158 167 A K H 3< S+ 0 0 127 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.828 106.0 58.0 -55.3 -30.4 -17.0 14.7 17.7 159 168 A K H 3< S+ 0 0 138 -4,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.779 103.8 49.5 -74.2 -28.9 -18.1 16.4 21.0 160 169 A V H << S- 0 0 44 -3,-0.9 2,-0.2 -4,-0.9 -1,-0.2 0.853 140.1 -20.6 -75.7 -36.7 -15.8 19.4 20.5 161 170 A D >< - 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