==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 17-JUN-11 3SI8 . COMPND 2 MOLECULE: DNA POLYMERASE ETA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.BIERTUMPFEL,Y.ZHAO,Y.KONDO,S.RAMON-MAIQUES,M.GREGORY,J.Y.L . 422 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21560.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 291 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 3.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 59 14.0 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 19 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 142 33.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 2 1 0 0 1 1 0 1 0 0 0 0 0 1 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 2 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 PARALLEL BRIDGES PER LADDER . 3 1 1 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 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 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 -1 A P 0 0 83 0, 0.0 180,-0.1 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 -3.3 24.8 -13.4 -1.7 2 0 A H > - 0 0 130 1,-0.1 5,-2.4 4,-0.1 6,-0.3 -0.208 360.0-137.5 -69.6 155.9 24.8 -16.7 -3.5 3 1 A M T > 5S+ 0 0 109 3,-0.2 3,-1.8 1,-0.2 5,-0.1 0.808 104.0 69.9 -76.0 -34.1 23.4 -17.3 -7.0 4 2 A A T 3 5S+ 0 0 71 1,-0.3 -1,-0.2 2,-0.1 297,-0.0 0.831 106.5 34.0 -53.3 -40.4 22.0 -20.5 -5.4 5 3 A T T 3 5S- 0 0 51 -3,-0.1 -1,-0.3 295,-0.0 -2,-0.2 0.252 113.3-120.6-100.0 10.8 19.5 -18.5 -3.3 6 4 A G T < 5S+ 0 0 2 -3,-1.8 -3,-0.2 1,-0.1 296,-0.2 0.887 79.0 122.2 51.7 46.9 19.1 -16.0 -6.1 7 5 A Q < + 0 0 38 -5,-2.4 -4,-0.2 1,-0.1 -1,-0.1 0.007 35.5 110.0-121.2 23.7 20.2 -13.1 -4.0 8 6 A D S S+ 0 0 42 -6,-0.3 2,-0.3 -5,-0.1 -5,-0.1 0.660 72.7 39.4 -76.5 -19.8 23.1 -12.2 -6.3 9 7 A R - 0 0 24 205,-0.4 2,-0.5 -3,-0.1 177,-0.0 -0.802 64.3-134.9-129.3 169.8 21.8 -8.9 -7.7 10 8 A V + 0 0 1 -2,-0.3 113,-2.2 175,-0.0 114,-0.7 -0.985 35.3 175.9-122.5 112.6 19.9 -5.8 -6.8 11 9 A V E -AB 122 213A 0 202,-2.9 202,-2.7 -2,-0.5 2,-0.3 -0.950 8.8-170.3-122.9 143.3 17.3 -5.0 -9.4 12 10 A A E -AB 121 212A 0 109,-2.6 109,-2.8 -2,-0.4 2,-0.4 -0.945 12.0-155.6-132.7 153.0 14.6 -2.3 -9.5 13 11 A L E -AB 120 211A 5 198,-2.0 198,-1.9 -2,-0.3 2,-0.5 -0.999 10.5-166.1-126.7 126.4 11.6 -1.5 -11.7 14 12 A V E +AB 119 210A 0 105,-2.1 105,-1.6 -2,-0.4 2,-0.4 -0.965 9.0 178.4-116.0 124.9 10.4 2.1 -11.9 15 13 A D E -AB 118 209A 24 194,-2.5 194,-2.6 -2,-0.5 103,-0.2 -0.994 28.5-120.2-130.7 130.5 6.9 2.8 -13.4 16 14 A M E > - B 0 208A 1 101,-2.4 3,-0.7 -2,-0.4 2,-0.3 -0.385 31.8-113.2 -66.2 140.5 5.3 6.2 -13.8 17 15 A D T 3 S- 0 0 3 190,-1.5 5,-0.3 1,-0.3 190,-0.2 -0.591 87.5 -23.8 -76.5 132.9 2.0 6.7 -11.9 18 16 A C T 3> S- 0 0 21 -2,-0.3 4,-2.3 3,-0.1 -1,-0.3 0.814 84.8-169.3 25.6 61.8 -1.1 7.1 -14.3 19 17 A F H <> S+ 0 0 9 -3,-0.7 4,-2.1 1,-0.2 5,-0.2 0.854 73.6 46.6 -46.0 -58.3 1.4 8.2 -16.9 20 18 A F H > S+ 0 0 37 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.907 113.0 52.7 -57.1 -40.2 -0.8 9.6 -19.6 21 19 A V H > S+ 0 0 3 -3,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.920 108.9 48.9 -61.4 -44.6 -2.8 11.5 -17.0 22 20 A Q H X S+ 0 0 18 -4,-2.3 4,-1.3 -5,-0.3 -1,-0.2 0.856 107.4 54.8 -65.5 -33.8 0.3 13.1 -15.6 23 21 A V H X S+ 0 0 2 -4,-2.1 4,-1.0 -5,-0.2 -1,-0.2 0.887 110.8 45.6 -65.9 -38.0 1.5 14.2 -19.0 24 22 A E H X S+ 0 0 18 -4,-1.8 4,-2.8 1,-0.2 3,-0.4 0.890 109.2 56.0 -69.8 -40.2 -1.8 15.9 -19.6 25 23 A Q H < S+ 0 0 29 -4,-2.3 7,-0.2 1,-0.2 -1,-0.2 0.759 101.6 57.5 -64.9 -25.1 -1.7 17.5 -16.1 26 24 A R H < S+ 0 0 91 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.863 111.8 40.9 -74.4 -33.4 1.6 19.0 -16.8 27 25 A Q H < S+ 0 0 114 -4,-1.0 -2,-0.2 -3,-0.4 -1,-0.2 0.916 123.9 39.3 -76.9 -45.1 0.3 20.9 -19.9 28 26 A N >< - 0 0 62 -4,-2.8 3,-2.0 1,-0.2 4,-0.3 -0.855 66.3-170.4-111.0 98.2 -3.0 21.8 -18.2 29 27 A P G > S+ 0 0 66 0, 0.0 3,-2.4 0, 0.0 -1,-0.2 0.844 81.9 70.4 -52.8 -37.6 -2.5 22.8 -14.5 30 28 A H G 3 S+ 0 0 158 1,-0.3 -5,-0.1 3,-0.0 -2,-0.0 0.664 89.4 62.4 -57.4 -17.3 -6.2 22.8 -13.9 31 29 A L G X S+ 0 0 20 -3,-2.0 3,-0.9 -6,-0.2 -1,-0.3 0.599 81.5 116.9 -85.0 -9.4 -6.3 19.0 -14.2 32 30 A R T < S+ 0 0 119 -3,-2.4 -10,-0.0 -4,-0.3 -6,-0.0 -0.191 79.3 0.7 -64.2 147.9 -4.1 18.6 -11.2 33 31 A N T 3 S+ 0 0 138 1,-0.2 -1,-0.2 3,-0.0 -2,-0.0 0.807 107.9 107.6 43.3 41.5 -5.1 16.9 -8.0 34 32 A K S < S- 0 0 107 -3,-0.9 2,-0.3 44,-0.0 22,-0.2 -0.991 81.9 -92.9-142.9 148.4 -8.5 16.2 -9.4 35 33 A P + 0 0 17 0, 0.0 43,-1.8 0, 0.0 2,-0.3 -0.459 64.0 144.2 -64.7 121.2 -10.2 13.0 -10.6 36 34 A C E -g 78 0B 4 -2,-0.3 17,-3.1 41,-0.2 2,-0.3 -0.932 27.5-161.8-150.0 172.3 -9.6 12.7 -14.3 37 35 A A E -gH 79 52B 1 41,-1.9 43,-2.0 -2,-0.3 2,-0.4 -0.947 17.6-125.6-152.7 170.2 -9.0 10.2 -17.1 38 36 A V E -gH 80 51B 2 13,-2.6 12,-2.7 -2,-0.3 13,-1.6 -0.993 24.1-166.2-126.8 124.1 -7.8 9.8 -20.6 39 37 A V E -gH 81 49B 3 41,-2.4 43,-1.8 -2,-0.4 10,-0.3 -0.760 29.6 -95.4-108.7 156.9 -9.9 8.1 -23.3 40 38 A Q - 0 0 65 8,-2.6 -1,-0.1 -2,-0.3 10,-0.0 -0.075 46.4 -95.1 -61.6 169.5 -8.8 6.8 -26.7 41 39 A Y S S+ 0 0 27 42,-0.1 2,-0.4 40,-0.1 -1,-0.1 0.694 100.6 88.9 -62.5 -23.4 -9.3 9.0 -29.8 42 40 A K - 0 0 97 2,-0.1 2,-0.8 6,-0.1 6,-0.4 -0.659 68.3-148.6 -82.5 129.3 -12.6 7.5 -30.8 43 41 A S + 0 0 88 -2,-0.4 2,-0.3 4,-0.2 -2,-0.1 -0.828 45.3 125.8-103.4 100.6 -15.7 9.2 -29.2 44 42 A W S > S+ 0 0 161 -2,-0.8 3,-1.6 0, 0.0 23,-0.2 -0.908 86.9 0.3-152.1 120.3 -18.5 6.7 -28.6 45 43 A K T 3 S- 0 0 90 -2,-0.3 23,-2.4 1,-0.3 24,-0.4 0.845 138.1 -56.6 64.4 29.6 -20.0 6.4 -25.2 46 44 A G T 3 S- 0 0 23 21,-0.2 -1,-0.3 20,-0.1 -7,-0.1 0.342 100.2 -72.8 84.0 -6.9 -17.5 9.1 -24.3 47 45 A G < - 0 0 0 -3,-1.6 20,-1.7 -8,-0.1 -4,-0.2 0.144 58.7 -70.0 97.9 145.3 -14.5 7.1 -25.5 48 46 A G B -I 66 0C 24 -6,-0.4 -8,-2.6 18,-0.2 2,-0.5 -0.435 50.2-123.7 -70.1 143.0 -12.6 4.1 -24.2 49 47 A I E +H 39 0B 4 16,-0.8 15,-3.3 -10,-0.3 -10,-0.2 -0.775 40.6 156.7 -95.8 127.3 -10.5 4.6 -21.0 50 48 A I E + 0 0 59 -12,-2.7 2,-0.4 -2,-0.5 13,-0.2 0.676 68.9 34.5-114.5 -31.3 -6.8 3.9 -21.0 51 49 A A E -H 38 0B 12 -13,-1.6 -13,-2.6 11,-0.1 2,-0.4 -0.978 62.1-175.2-135.1 125.0 -5.5 6.1 -18.1 52 50 A V E -H 37 0B 6 -2,-0.4 -15,-0.2 -15,-0.2 -34,-0.1 -0.950 24.8-123.5-121.0 134.5 -7.2 7.0 -14.8 53 51 A S > - 0 0 0 -17,-3.1 4,-1.2 -2,-0.4 3,-0.2 -0.330 25.7-119.8 -69.3 154.2 -6.1 9.4 -12.1 54 52 A Y H > S+ 0 0 52 1,-0.2 4,-1.1 2,-0.2 3,-0.2 0.869 113.7 59.7 -64.6 -35.8 -5.8 8.0 -8.6 55 53 A E H >4 S+ 0 0 77 1,-0.2 3,-0.5 -21,-0.2 4,-0.4 0.913 109.6 45.3 -56.6 -41.1 -8.3 10.5 -7.3 56 54 A A H >4>S+ 0 0 0 -20,-0.2 5,-1.5 -22,-0.2 3,-0.8 0.724 99.2 67.5 -75.6 -24.1 -10.7 9.0 -9.8 57 55 A R H ><5S+ 0 0 103 -4,-1.2 3,-1.5 1,-0.2 -1,-0.2 0.788 90.7 66.1 -67.1 -24.3 -9.9 5.4 -9.0 58 56 A A T <<5S+ 0 0 90 -4,-1.1 -1,-0.2 -3,-0.5 -2,-0.2 0.838 95.8 55.1 -63.6 -34.2 -11.5 5.9 -5.6 59 57 A F T < 5S- 0 0 87 -3,-0.8 -1,-0.3 -4,-0.4 -2,-0.2 0.415 127.6-102.1 -79.2 0.5 -14.8 6.4 -7.4 60 58 A G T < 5 + 0 0 39 -3,-1.5 -3,-0.2 1,-0.3 2,-0.2 0.508 68.1 155.8 92.0 5.7 -14.3 3.0 -8.9 61 59 A V < + 0 0 3 -5,-1.5 2,-0.3 -8,-0.1 -1,-0.3 -0.448 14.9 176.3 -70.0 135.7 -13.2 4.2 -12.4 62 60 A T - 0 0 79 -2,-0.2 3,-0.5 -11,-0.1 -13,-0.1 -0.888 32.1-103.6-134.8 164.5 -11.0 1.7 -14.4 63 61 A R S S+ 0 0 182 -2,-0.3 -13,-0.2 1,-0.2 3,-0.1 -0.457 101.7 45.9 -81.6 162.5 -9.5 1.6 -17.9 64 62 A S S S+ 0 0 115 -15,-3.3 2,-0.3 1,-0.3 -1,-0.2 0.754 95.2 102.4 74.8 23.0 -11.1 -0.6 -20.5 65 63 A M S S- 0 0 42 -3,-0.5 -16,-0.8 -16,-0.2 -1,-0.3 -0.996 82.3 -91.2-138.8 141.7 -14.5 0.8 -19.5 66 64 A W B > -I 48 0C 97 -2,-0.3 4,-1.8 -18,-0.2 5,-0.2 -0.188 27.8-129.8 -55.8 137.7 -16.6 3.4 -21.3 67 65 A A H > S+ 0 0 0 -20,-1.7 4,-1.9 -22,-0.3 -21,-0.2 0.859 107.0 48.4 -54.9 -45.3 -16.2 7.0 -20.3 68 66 A D H > S+ 0 0 64 -23,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.884 111.4 49.8 -67.7 -37.3 -19.9 7.7 -19.8 69 67 A D H > S+ 0 0 87 -24,-0.4 4,-0.9 1,-0.2 -1,-0.2 0.815 112.0 49.5 -68.4 -28.7 -20.3 4.6 -17.7 70 68 A A H X S+ 0 0 0 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.819 103.9 62.1 -75.6 -32.2 -17.3 5.9 -15.8 71 69 A K H < S+ 0 0 72 -4,-1.9 6,-0.2 1,-0.2 -2,-0.2 0.908 96.8 56.2 -59.3 -46.4 -19.0 9.3 -15.5 72 70 A K H < S+ 0 0 147 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.907 110.7 44.0 -54.9 -44.8 -21.9 7.9 -13.5 73 71 A L H < S+ 0 0 96 -4,-0.9 -1,-0.2 1,-0.3 -2,-0.2 0.848 132.4 21.9 -69.9 -34.6 -19.6 6.6 -10.8 74 72 A C >< + 0 0 0 -4,-1.9 3,-2.4 1,-0.1 -1,-0.3 -0.615 66.3 172.3-135.3 75.5 -17.5 9.7 -10.8 75 73 A P T 3 S+ 0 0 86 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.755 81.8 62.1 -53.3 -28.2 -19.6 12.6 -12.2 76 74 A D T 3 S+ 0 0 108 -3,-0.1 -5,-0.1 -5,-0.1 -20,-0.0 0.744 79.5 130.9 -70.2 -21.1 -16.8 15.0 -11.2 77 75 A L < - 0 0 2 -3,-2.4 2,-0.3 -6,-0.2 -41,-0.2 0.022 47.6-152.2 -38.5 124.0 -14.6 13.1 -13.6 78 76 A L E -g 36 0B 50 -43,-1.8 -41,-1.9 -47,-0.1 2,-0.4 -0.800 12.8-143.5 -99.9 144.3 -12.7 15.3 -16.0 79 77 A L E -g 37 0B 70 -2,-0.3 2,-0.4 -43,-0.2 -41,-0.2 -0.903 18.9-177.5-119.2 142.3 -11.7 13.9 -19.4 80 78 A A E -g 38 0B 14 -43,-2.0 -41,-2.4 -2,-0.4 2,-0.3 -0.979 16.0-156.7-128.9 139.3 -8.7 14.2 -21.7 81 79 A Q E -g 39 0B 75 -2,-0.4 2,-0.2 -43,-0.2 -41,-0.2 -0.910 24.9-102.5-123.1 149.0 -8.6 12.5 -25.1 82 80 A V - 0 0 5 -43,-1.8 9,-0.1 -2,-0.3 -44,-0.0 -0.490 44.2-113.6 -67.0 131.6 -5.7 11.4 -27.3 83 81 A R - 0 0 191 7,-0.4 7,-2.2 -2,-0.2 2,-0.4 -0.308 33.6-127.3 -62.7 151.9 -5.2 13.9 -30.1 84 82 A E E +J 89 0D 110 5,-0.2 2,-0.3 -43,-0.1 5,-0.2 -0.844 28.3 176.3-110.0 143.0 -6.0 12.3 -33.5 85 83 A S E > -J 88 0D 35 3,-3.6 3,-2.5 -2,-0.4 258,-0.1 -0.983 68.6 -7.5-147.2 132.4 -3.9 12.3 -36.7 86 84 A R T 3 S- 0 0 72 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.902 129.6 -55.6 49.5 44.0 -4.4 10.7 -40.1 87 85 A G T 3 S+ 0 0 17 1,-0.2 -1,-0.3 252,-0.0 2,-0.3 0.489 124.7 83.2 71.4 2.9 -7.5 9.0 -38.6 88 86 A K E < S-J 85 0D 22 -3,-2.5 -3,-3.6 1,-0.1 -1,-0.2 -0.845 87.8 -72.5-133.7 171.4 -5.6 7.4 -35.8 89 87 A A E -J 84 0D 12 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.255 36.2-144.8 -63.3 149.5 -4.3 8.2 -32.3 90 88 A N + 0 0 46 -7,-2.2 -7,-0.4 1,-0.1 3,-0.2 -0.974 21.8 172.4-117.9 115.1 -1.3 10.6 -31.9 91 89 A L > + 0 0 47 -2,-0.5 4,-2.3 1,-0.2 3,-0.4 0.190 40.6 116.3-110.2 16.2 1.0 9.6 -28.9 92 90 A T H > S+ 0 0 52 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.866 73.2 56.8 -50.1 -45.0 3.9 12.0 -29.6 93 91 A K H > S+ 0 0 48 -3,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.900 110.8 42.3 -56.3 -47.0 3.3 13.9 -26.3 94 92 A Y H > S+ 0 0 2 -3,-0.4 4,-2.8 2,-0.2 -1,-0.2 0.922 112.2 53.0 -68.5 -45.5 3.7 10.7 -24.2 95 93 A R H X S+ 0 0 78 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.893 110.4 49.9 -57.3 -40.0 6.7 9.4 -26.1 96 94 A E H X S+ 0 0 114 -4,-2.5 4,-1.2 -5,-0.2 -1,-0.2 0.839 111.2 47.1 -67.9 -34.8 8.3 12.8 -25.5 97 95 A A H X S+ 0 0 1 -4,-1.5 4,-1.7 -5,-0.2 -2,-0.2 0.862 108.9 57.0 -72.7 -36.1 7.6 12.6 -21.8 98 96 A S H X S+ 0 0 7 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.929 103.4 52.4 -58.7 -48.4 8.9 9.1 -21.8 99 97 A V H X S+ 0 0 78 -4,-2.0 4,-2.4 1,-0.2 5,-0.2 0.876 104.8 57.5 -56.8 -40.2 12.3 10.2 -23.2 100 98 A E H X S+ 0 0 66 -4,-1.2 4,-1.5 1,-0.2 -1,-0.2 0.948 109.6 42.2 -56.3 -53.7 12.6 12.8 -20.5 101 99 A V H X S+ 0 0 3 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.914 112.9 53.3 -61.3 -46.1 12.3 10.2 -17.6 102 100 A M H X S+ 0 0 7 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.895 105.6 52.6 -59.4 -44.7 14.5 7.6 -19.3 103 101 A E H X S+ 0 0 123 -4,-2.4 4,-0.5 1,-0.2 -1,-0.2 0.904 110.3 50.3 -60.5 -37.4 17.4 10.1 -19.8 104 102 A I H >X S+ 0 0 8 -4,-1.5 3,-0.7 -5,-0.2 4,-0.5 0.898 111.0 46.7 -67.5 -40.9 17.2 10.9 -16.1 105 103 A M H >X S+ 0 0 1 -4,-2.1 3,-1.6 1,-0.2 4,-1.4 0.909 103.1 63.8 -67.3 -39.4 17.3 7.3 -15.0 106 104 A S H 3< S+ 0 0 47 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.694 93.0 65.4 -57.7 -19.5 20.2 6.5 -17.3 107 105 A R H << S+ 0 0 150 -3,-0.7 -1,-0.3 -4,-0.5 -2,-0.2 0.851 105.4 41.5 -72.6 -33.9 22.3 8.9 -15.3 108 106 A F H << S- 0 0 57 -3,-1.6 2,-0.3 -4,-0.5 -2,-0.2 0.761 135.4 -23.6 -83.4 -29.1 22.1 6.8 -12.2 109 107 A A S < S- 0 0 18 -4,-1.4 -1,-0.3 16,-0.0 2,-0.2 -0.948 77.7 -81.0-172.9 160.8 22.6 3.4 -13.9 110 108 A V - 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0 0 75 -4,-0.3 -20,-1.2 -7,-0.1 2,-0.4 -0.957 58.6-141.1-146.6 161.1 5.9 5.0 -3.1 231 235 A Q E -ef 147 210A 0 -85,-3.0 -83,-2.6 -2,-0.3 2,-0.4 -0.968 9.7-149.8-130.2 146.6 8.5 2.2 -3.4 232 236 A T E -ef 148 211A 0 -22,-2.2 -20,-2.5 -2,-0.4 2,-0.5 -0.958 2.4-152.3-122.0 133.0 8.6 -1.3 -2.0 233 237 A L E -ef 149 212A 2 -85,-3.1 -83,-2.4 -2,-0.4 2,-0.6 -0.882 10.7-167.6-101.5 124.3 11.5 -3.5 -1.0 234 238 A V - 0 0 0 -22,-2.6 -20,-0.3 -2,-0.5 2,-0.1 -0.939 7.9-162.5-116.9 109.3 11.0 -7.2 -1.3 235 239 A S >> - 0 0 9 -2,-0.6 3,-0.9 -85,-0.3 4,-0.6 -0.442 32.1-112.0 -86.2 162.7 13.6 -9.3 0.4 236 240 A H G >4 S+ 0 0 45 1,-0.3 3,-0.9 2,-0.2 -1,-0.1 0.871 118.2 57.7 -61.5 -36.7 14.3 -13.0 -0.3 237 241 A G G 34 S+ 0 0 64 1,-0.2 4,-0.4 2,-0.1 -1,-0.3 0.725 101.6 54.9 -66.6 -22.5 13.0 -13.8 3.2 238 242 A S G <> S+ 0 0 10 -3,-0.9 4,-2.6 1,-0.2 -1,-0.2 0.627 85.8 87.0 -86.8 -11.9 9.7 -12.1 2.6 239 243 A V H S+ 0 0 92 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.947 115.8 41.7 -52.9 -48.5 7.3 -17.3 1.1 241 245 A Q H > S+ 0 0 142 -4,-0.4 4,-0.6 1,-0.2 3,-0.3 0.925 115.0 49.5 -64.0 -47.3 4.8 -15.0 2.9 242 246 A L H < S+ 0 0 13 -4,-2.6 3,-0.4 1,-0.2 -1,-0.2 0.840 115.6 43.9 -61.9 -34.6 4.2 -12.8 -0.2 243 247 A F H >< S+ 0 0 1 -4,-2.9 29,-2.6 -5,-0.2 3,-1.4 0.659 89.3 87.2 -85.2 -18.1 3.6 -15.8 -2.4 244 248 A S H 3< S+ 0 0 45 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.836 112.8 13.1 -50.9 -36.7 1.4 -17.6 0.1 245 249 A Q T 3< S+ 0 0 145 -4,-0.6 -1,-0.3 -3,-0.4 -2,-0.1 -0.065 93.7 126.5-133.2 34.8 -1.6 -15.7 -1.3 246 250 A M < - 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0 0 3 -5,-1.2 -1,-0.2 -6,-0.3 -2,-0.1 -0.933 45.2-167.8-138.4 161.4 -3.6 -24.4 -7.4 269 273 A E + 0 0 109 -2,-0.3 -21,-2.3 1,-0.1 2,-0.3 0.607 69.4 65.3-119.4 -28.3 -4.4 -20.6 -7.3 270 274 A Y B > S-K 247 0E 88 -23,-0.2 3,-1.9 1,-0.1 4,-0.5 -0.811 72.6-131.4-111.5 145.2 -1.3 -19.2 -5.5 271 275 A M G > S+ 0 0 0 -25,-2.3 3,-1.9 -2,-0.3 4,-0.4 0.887 107.6 61.7 -50.3 -46.8 2.4 -19.0 -6.4 272 276 A G G > S+ 0 0 23 -29,-2.6 3,-0.8 1,-0.3 -1,-0.3 0.715 93.2 64.8 -55.5 -24.1 3.3 -20.4 -3.0 273 277 A E G X S+ 0 0 70 -3,-1.9 3,-1.1 -30,-0.3 -1,-0.3 0.680 85.1 71.5 -74.9 -20.0 1.4 -23.6 -3.8 274 278 A L G X S+ 0 0 0 -3,-1.9 3,-1.6 -4,-0.5 -1,-0.2 0.741 80.7 79.9 -64.8 -22.4 3.9 -24.5 -6.6 275 279 A T G < S+ 0 0 68 -3,-0.8 -1,-0.2 -4,-0.4 -2,-0.1 0.699 79.1 65.1 -57.0 -27.4 6.5 -25.2 -3.9 276 280 A Q G < S+ 0 0 130 -3,-1.1 2,-0.3 -4,-0.1 -1,-0.3 0.577 86.9 87.9 -76.6 -12.5 5.1 -28.7 -3.1 277 281 A F S < S- 0 0 28 -3,-1.6 2,-0.1 -4,-0.2 -3,-0.0 -0.656 77.4-122.6 -92.9 148.3 6.0 -30.1 -6.5 278 282 A T > - 0 0 76 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.472 27.0-113.6 -80.1 157.9 9.3 -31.7 -7.4 279 283 A E H > S+ 0 0 79 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.891 118.6 53.8 -58.7 -39.9 11.3 -30.2 -10.3 280 284 A S H > S+ 0 0 81 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.872 105.8 52.1 -63.9 -39.1 10.7 -33.4 -12.3 281 285 A Q H > S+ 0 0 86 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.941 113.1 45.8 -61.2 -45.8 6.9 -33.2 -11.8 282 286 A L H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 5,-0.3 0.865 114.3 47.5 -66.1 -35.5 7.0 -29.6 -13.1 283 287 A Q H X S+ 0 0 50 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.862 107.0 55.8 -75.0 -34.1 9.3 -30.6 -16.0 284 288 A S H < S+ 0 0 89 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.709 119.1 34.7 -71.0 -16.2 7.2 -33.6 -17.0 285 289 A H H < S+ 0 0 107 -4,-0.8 -2,-0.2 -3,-0.2 -1,-0.2 0.700 133.2 21.8-108.2 -26.6 4.2 -31.3 -17.3 286 290 A F H < S- 0 0 25 -4,-2.1 4,-0.5 1,-0.3 -3,-0.2 0.402 113.8 -97.7-123.1 -1.7 5.5 -27.9 -18.5 287 291 A G X - 0 0 34 -4,-1.8 4,-2.6 -5,-0.3 5,-0.3 -0.118 41.2 -73.6 101.2 159.0 8.7 -29.0 -20.2 288 292 A E H > S+ 0 0 155 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.946 129.5 39.2 -53.1 -54.6 12.3 -29.1 -19.1 289 293 A K H > S+ 0 0 172 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.932 121.0 39.7 -65.9 -52.0 12.8 -25.3 -19.4 290 294 A N H > S+ 0 0 61 -4,-0.5 4,-2.4 1,-0.2 5,-0.2 0.869 114.4 57.1 -69.3 -31.1 9.4 -24.0 -18.1 291 295 A G H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.927 109.8 42.4 -63.0 -46.2 9.5 -26.7 -15.4 292 296 A S H X S+ 0 0 37 -4,-2.0 4,-2.2 -5,-0.3 5,-0.2 0.879 113.0 54.0 -67.7 -38.9 12.8 -25.6 -14.0 293 297 A W H X S+ 0 0 62 -4,-2.0 4,-3.0 1,-0.2 -2,-0.2 0.926 111.5 44.7 -61.2 -45.5 11.8 -21.9 -14.3 294 298 A L H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.904 109.8 55.9 -65.1 -41.9 8.7 -22.6 -12.3 295 299 A Y H < S+ 0 0 72 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.924 117.2 34.9 -57.2 -45.8 10.5 -24.6 -9.7 296 300 A A H ><>S+ 0 0 28 -4,-2.2 5,-2.4 1,-0.2 3,-1.3 0.868 113.0 58.2 -78.4 -37.5 12.9 -21.8 -9.0 297 301 A M H ><5S+ 0 0 0 -4,-3.0 3,-2.2 1,-0.3 -2,-0.2 0.875 98.3 58.5 -64.0 -37.6 10.5 -18.9 -9.4 298 302 A C T 3<5S+ 0 0 5 -4,-2.1 -1,-0.3 1,-0.3 -23,-0.2 0.626 106.2 52.2 -68.6 -9.2 8.1 -20.1 -6.7 299 303 A R T < 5S- 0 0 75 -3,-1.3 -1,-0.3 2,-0.2 -2,-0.2 0.169 127.5-101.2-107.0 14.0 11.1 -19.8 -4.4 300 304 A G T < 5S+ 0 0 0 -3,-2.2 2,-0.5 1,-0.2 -3,-0.2 0.585 81.5 131.1 79.2 12.8 11.9 -16.2 -5.5 301 305 A I < + 0 0 26 -5,-2.4 2,-0.3 -8,-0.1 -1,-0.2 -0.866 17.5 144.8-108.5 127.3 14.7 -17.2 -7.8 302 306 A E - 0 0 20 -2,-0.5 -86,-0.1 -296,-0.2 -84,-0.1 -0.975 26.4-164.6-155.0 141.3 15.0 -15.9 -11.4 303 307 A H + 0 0 88 -2,-0.3 -1,-0.0 -88,-0.1 -2,-0.0 0.390 34.7 138.5-115.7 6.5 18.0 -15.0 -13.5 304 308 A D - 0 0 58 1,-0.1 -88,-0.5 3,-0.0 -87,-0.1 -0.316 52.8-129.5 -54.5 117.0 16.9 -13.0 -16.6 305 309 A P - 0 0 70 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.314 14.6-106.7 -73.0 153.0 19.5 -10.2 -16.8 306 310 A V - 0 0 16 -2,-0.0 -184,-0.1 1,-0.0 -185,-0.0 -0.695 39.6-155.6 -76.5 117.1 18.8 -6.5 -17.1 307 311 A K - 0 0 87 -2,-0.6 -194,-0.1 2,-0.0 -187,-0.1 -0.869 17.0-120.6-104.4 113.2 19.7 -5.8 -20.8 308 312 A P + 0 0 99 0, 0.0 2,-0.3 0, 0.0 -196,-0.2 -0.282 52.6 146.6 -52.8 117.8 20.6 -2.2 -21.6 309 313 A R B +d 112 0A 86 -198,-1.5 -196,-2.6 -2,-0.1 -2,-0.0 -0.957 16.5 147.6-155.9 134.1 18.1 -1.0 -24.2 310 314 A Q + 0 0 86 -2,-0.3 -1,-0.1 -198,-0.2 -198,-0.1 0.442 62.0 78.8-137.2 -32.7 16.7 2.5 -24.8 311 315 A L S S- 0 0 71 1,-0.1 -1,-0.2 44,-0.0 -198,-0.0 -0.640 85.8-113.9 -84.5 135.6 16.2 2.3 -28.6 312 316 A P - 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