==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 26-MAR-12 4ECX . COMPND 2 MOLECULE: DNA POLYMERASE ETA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.NAKAMURA,Y.ZHAO,W.YANG . 430 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21785.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 301 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 3.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 64 14.9 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 . 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 . 21 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 138 32.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 1 1 1 1 1 0 1 1 0 0 0 1 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 . 2 2 0 2 1 3 0 0 0 0 1 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 1 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 -2 A G > 0 0 89 0, 0.0 3,-0.8 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-124.0 67.4 -34.2 -4.0 2 -1 A P T 3 + 0 0 122 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.416 360.0 47.6 -76.7 0.6 68.7 -32.9 -7.4 3 0 A H T 3 S+ 0 0 179 2,-0.1 2,-0.8 0, 0.0 0, 0.0 0.407 81.4 109.8-119.4 -3.8 65.1 -32.4 -8.7 4 1 A M < - 0 0 138 -3,-0.8 2,-0.1 1,-0.0 0, 0.0 -0.664 66.5-134.4 -81.8 110.7 63.7 -30.5 -5.7 5 2 A A - 0 0 73 -2,-0.8 -2,-0.1 1,-0.1 299,-0.0 -0.368 16.3-167.8 -65.2 139.1 63.0 -26.9 -6.7 6 3 A T - 0 0 59 -2,-0.1 -1,-0.1 297,-0.0 -2,-0.0 0.359 36.6-120.2-111.7 2.2 64.2 -24.3 -4.1 7 4 A G S S+ 0 0 6 1,-0.1 298,-0.1 297,-0.1 3,-0.1 0.918 74.0 126.5 58.4 47.6 62.5 -21.2 -5.5 8 5 A Q + 0 0 43 1,-0.1 -1,-0.1 296,-0.1 210,-0.1 0.109 33.4 104.6-119.6 20.6 65.8 -19.4 -6.0 9 6 A D S S+ 0 0 92 208,-0.1 2,-0.3 2,-0.0 -1,-0.1 0.728 76.1 43.8 -75.7 -27.7 65.3 -18.5 -9.7 10 7 A R - 0 0 26 207,-0.4 2,-0.5 -3,-0.1 179,-0.1 -0.775 64.4-139.5-120.2 160.1 64.5 -14.8 -9.3 11 8 A V + 0 0 1 -2,-0.3 113,-2.3 177,-0.0 114,-0.7 -0.993 31.8 177.8-115.6 123.2 65.6 -11.7 -7.4 12 9 A V E -AB 123 216A 0 204,-3.1 204,-2.6 -2,-0.5 2,-0.3 -0.978 9.6-167.5-129.7 135.9 62.6 -9.7 -6.2 13 10 A A E -AB 122 215A 0 109,-2.4 109,-2.6 -2,-0.4 2,-0.5 -0.895 10.5-154.0-120.9 153.9 62.5 -6.5 -4.1 14 11 A L E -AB 121 214A 0 200,-2.2 200,-2.0 -2,-0.3 2,-0.5 -0.981 12.1-163.7-126.1 117.3 59.6 -4.7 -2.4 15 12 A V E -AB 120 213A 2 105,-2.7 105,-2.0 -2,-0.5 2,-0.4 -0.895 8.8-178.2-104.9 128.0 60.1 -1.0 -1.8 16 13 A D E -AB 119 212A 21 196,-2.6 196,-2.7 -2,-0.5 103,-0.2 -0.983 25.1-125.8-130.8 122.2 57.9 0.7 0.7 17 14 A M E > - B 0 211A 4 101,-2.7 3,-0.6 -2,-0.4 194,-0.3 -0.356 31.6-113.4 -66.0 140.2 57.9 4.5 1.5 18 15 A D T 3 S- 0 0 4 192,-2.0 5,-0.3 1,-0.2 192,-0.2 -0.593 85.2 -25.2 -74.9 138.4 58.4 5.3 5.2 19 16 A C T >> S- 0 0 17 -2,-0.3 4,-2.1 34,-0.1 3,-0.5 0.786 86.3-167.2 22.0 65.6 55.3 6.9 6.8 20 17 A F H <> S+ 0 0 9 -3,-0.6 4,-2.2 1,-0.3 5,-0.2 0.843 71.6 44.4 -56.7 -55.8 54.4 8.1 3.3 21 18 A F H 3> S+ 0 0 31 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.858 114.4 53.6 -60.7 -34.2 51.7 10.8 3.7 22 19 A V H <> S+ 0 0 0 -3,-0.5 4,-2.6 2,-0.2 -1,-0.2 0.927 107.0 50.1 -62.5 -46.3 53.7 12.3 6.6 23 20 A Q H X S+ 0 0 21 -4,-2.1 4,-2.2 -5,-0.3 -2,-0.2 0.880 108.1 54.0 -61.0 -37.6 56.8 12.6 4.4 24 21 A V H X S+ 0 0 4 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.932 112.7 43.3 -60.5 -44.8 54.8 14.3 1.7 25 22 A E H X S+ 0 0 12 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.844 112.9 52.9 -70.6 -33.2 53.5 16.9 4.2 26 23 A Q H < S+ 0 0 24 -4,-2.6 7,-0.3 2,-0.2 6,-0.2 0.836 105.2 53.8 -72.0 -32.9 57.0 17.3 5.8 27 24 A R H < S+ 0 0 86 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.930 114.3 43.1 -62.9 -42.5 58.6 18.0 2.4 28 25 A Q H < S+ 0 0 125 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.843 122.0 37.5 -72.6 -37.7 56.1 20.7 1.9 29 26 A N >< - 0 0 61 -4,-2.1 3,-2.5 1,-0.1 4,-0.3 -0.869 64.2-168.4-122.8 96.6 56.2 22.2 5.4 30 27 A P G > S+ 0 0 80 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.753 84.0 72.9 -56.5 -25.0 59.8 22.2 6.8 31 28 A H G 3 S+ 0 0 155 1,-0.3 -5,-0.1 -3,-0.1 -3,-0.0 0.665 95.5 52.5 -63.4 -16.9 58.3 23.0 10.3 32 29 A L G X S+ 0 0 14 -3,-2.5 3,-1.1 -6,-0.2 -1,-0.3 0.550 83.8 116.1 -94.1 -10.1 57.0 19.4 10.4 33 30 A R T < S+ 0 0 110 -3,-1.4 -10,-0.0 -4,-0.3 -6,-0.0 -0.323 83.7 3.9 -67.7 140.1 60.4 17.8 9.7 34 31 A N T 3 S+ 0 0 138 1,-0.2 -1,-0.3 -2,-0.0 -2,-0.0 0.822 108.1 116.3 56.6 36.1 61.9 15.6 12.4 35 32 A K S < S- 0 0 93 -3,-1.1 2,-0.7 44,-0.0 22,-0.3 -0.900 81.9 -95.0-126.8 156.3 58.9 16.0 14.6 36 33 A P + 0 0 24 0, 0.0 43,-2.6 0, 0.0 2,-0.3 -0.663 68.0 156.8 -65.4 115.2 56.2 13.8 16.1 37 34 A C E -g 79 0B 0 -2,-0.7 17,-2.9 41,-0.2 2,-0.3 -0.970 25.8-172.8-145.6 154.3 53.6 14.4 13.3 38 35 A A E -gH 80 53B 0 41,-1.9 43,-1.8 -2,-0.3 2,-0.4 -0.966 22.8-125.3-148.2 160.3 50.6 12.6 11.8 39 36 A V E -gH 81 52B 0 13,-2.3 12,-3.2 -2,-0.3 13,-1.2 -0.926 31.8-173.0-110.2 134.0 48.2 13.1 8.9 40 37 A V E -gH 82 50B 0 41,-2.3 43,-2.5 -2,-0.4 2,-0.4 -0.901 17.7-140.2-127.5 151.1 44.5 13.3 9.7 41 38 A Q E S- H 0 49B 62 8,-2.4 8,-2.0 -2,-0.3 43,-0.1 -0.956 70.6 -7.4-116.5 137.6 41.3 13.4 7.7 42 39 A Y - 0 0 71 -2,-0.4 41,-0.1 41,-0.3 47,-0.0 -0.081 59.9-151.2 65.0-178.0 38.4 15.6 8.7 43 40 A K S > S+ 0 0 80 5,-0.1 4,-1.3 39,-0.1 5,-0.2 0.436 71.9 79.9-158.3 -38.3 38.6 17.4 12.1 44 41 A S T 4 S+ 0 0 130 3,-0.2 2,-0.9 2,-0.2 3,-0.2 0.897 85.1 65.9 -55.1 -49.0 35.1 18.0 13.5 45 42 A W T >4 S- 0 0 175 1,-0.2 3,-1.9 2,-0.1 -1,-0.1 -0.705 133.8 -34.5 -86.7 104.8 34.7 14.5 14.9 46 43 A K T 34 S- 0 0 100 -2,-0.9 23,-2.5 1,-0.3 24,-0.4 0.741 114.3 -59.5 56.4 30.5 37.3 13.9 17.7 47 44 A G T 3< S- 0 0 6 -4,-1.3 -1,-0.3 -3,-0.2 -3,-0.2 0.429 100.6 -66.8 85.4 0.4 39.9 16.0 16.0 48 45 A G < - 0 0 1 -3,-1.9 20,-3.0 -5,-0.2 2,-0.5 -0.008 59.6 -76.7 99.9 156.0 40.0 13.8 12.9 49 46 A G E -HI 41 67B 13 -8,-2.0 -8,-2.4 18,-0.2 2,-0.3 -0.767 43.7-126.6 -94.5 130.6 41.0 10.3 12.1 50 47 A I E +H 40 0B 2 16,-2.9 15,-2.8 -2,-0.5 -10,-0.3 -0.544 32.0 169.0 -76.7 131.7 44.8 9.6 11.8 51 48 A I E + 0 0 36 -12,-3.2 2,-0.3 1,-0.3 -11,-0.2 0.552 66.0 25.2-118.6 -10.2 45.9 7.9 8.7 52 49 A A E -H 39 0B 2 -13,-1.2 -13,-2.3 11,-0.1 2,-0.4 -0.979 62.5-163.8-155.0 143.4 49.7 8.2 8.8 53 50 A V E -H 38 0B 4 -2,-0.3 -15,-0.2 -15,-0.2 -34,-0.1 -0.991 18.9-126.6-137.7 128.5 52.2 8.6 11.7 54 51 A S > - 0 0 1 -17,-2.9 4,-2.1 -2,-0.4 3,-0.3 -0.325 30.9-114.0 -67.6 155.6 55.9 9.7 11.8 55 52 A Y H > S+ 0 0 60 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.866 117.8 57.3 -61.4 -33.9 58.3 7.4 13.6 56 53 A E H 4 S+ 0 0 79 -21,-0.3 4,-0.4 1,-0.2 3,-0.3 0.911 109.0 45.7 -59.2 -43.1 58.9 10.0 16.3 57 54 A A H >4>S+ 0 0 0 -22,-0.3 5,-1.5 -3,-0.3 3,-1.4 0.843 104.2 61.8 -70.6 -34.1 55.1 10.0 17.0 58 55 A R H ><5S+ 0 0 94 -4,-2.1 3,-1.8 1,-0.3 -1,-0.2 0.842 92.5 66.6 -59.9 -30.7 55.0 6.2 17.0 59 56 A A T 3<5S+ 0 0 90 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.760 99.8 50.7 -62.4 -25.3 57.4 6.2 19.9 60 57 A F T < 5S- 0 0 111 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.469 127.5-100.2 -88.6 -4.5 54.6 7.8 22.0 61 58 A G T < 5 + 0 0 33 -3,-1.8 2,-0.3 1,-0.3 -3,-0.2 0.554 69.4 152.7 97.2 11.0 52.1 5.1 20.9 62 59 A V < + 0 0 2 -5,-1.5 -1,-0.3 -8,-0.1 2,-0.3 -0.572 20.1 175.6 -74.8 134.6 50.3 7.1 18.2 63 60 A T > - 0 0 70 -2,-0.3 3,-1.3 -11,-0.1 -13,-0.2 -0.927 35.9 -82.6-136.4 162.8 48.9 4.8 15.5 64 61 A R T 3 S+ 0 0 152 -2,-0.3 -13,-0.2 1,-0.2 3,-0.1 -0.267 111.8 30.1 -53.9 145.2 46.8 4.8 12.4 65 62 A S T 3 S+ 0 0 99 -15,-2.8 2,-0.2 1,-0.3 -1,-0.2 0.384 89.2 127.1 82.6 -3.8 43.0 4.8 13.0 66 63 A M < - 0 0 41 -3,-1.3 -16,-2.9 -16,-0.1 -1,-0.3 -0.604 66.8-113.5 -81.9 144.2 43.4 6.7 16.3 67 64 A W B >> -I 49 0B 92 -2,-0.2 4,-2.7 -18,-0.2 3,-0.7 -0.591 23.5-125.9 -72.0 141.1 41.3 9.9 16.7 68 65 A A H 3> S+ 0 0 1 -20,-3.0 4,-2.1 1,-0.3 -21,-0.2 0.852 110.6 58.4 -59.1 -35.8 43.6 12.9 16.9 69 66 A D H 34 S+ 0 0 85 -23,-2.5 4,-0.4 -21,-0.2 -1,-0.3 0.861 111.1 42.7 -61.4 -34.3 42.1 14.0 20.2 70 67 A D H X> S+ 0 0 56 -3,-0.7 4,-1.0 -24,-0.4 3,-1.0 0.885 110.2 54.8 -78.7 -41.2 43.1 10.6 21.6 71 68 A A H >X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 3,-0.5 0.866 102.7 59.1 -55.6 -36.7 46.5 10.7 20.0 72 69 A K H 3< S+ 0 0 80 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.722 97.3 60.3 -67.9 -23.0 47.0 14.1 21.7 73 70 A K H <4 S+ 0 0 155 -3,-1.0 -1,-0.2 -4,-0.4 -2,-0.2 0.835 112.8 37.1 -71.7 -32.5 46.6 12.4 25.0 74 71 A L H << S+ 0 0 82 -4,-1.0 -2,-0.2 -3,-0.5 -1,-0.2 0.769 133.7 25.1 -84.7 -28.1 49.6 10.2 24.3 75 72 A C >< - 0 0 1 -4,-1.9 3,-2.0 -5,-0.2 -1,-0.3 -0.749 64.2-177.6-145.1 83.0 51.6 12.9 22.6 76 73 A P T 3 S+ 0 0 85 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.796 86.9 49.1 -56.6 -33.4 50.6 16.4 23.6 77 74 A D T 3 S+ 0 0 130 2,-0.1 -5,-0.1 -40,-0.0 2,-0.0 0.208 79.0 141.0 -94.8 14.7 53.1 18.0 21.2 78 75 A L < - 0 0 1 -3,-2.0 2,-0.3 -6,-0.1 -41,-0.2 -0.343 43.4-144.3 -55.7 130.7 51.9 16.0 18.2 79 76 A L E -g 37 0B 61 -43,-2.6 -41,-1.9 -47,-0.1 2,-0.4 -0.770 15.0-154.7 -97.6 149.1 51.8 18.1 15.1 80 77 A L E -g 38 0B 46 -2,-0.3 2,-0.4 -43,-0.2 -41,-0.2 -0.922 15.5-167.3-125.9 144.6 49.1 17.5 12.5 81 78 A A E -g 39 0B 10 -43,-1.8 -41,-2.3 -2,-0.4 2,-0.4 -0.991 23.9-137.0-123.0 139.6 48.6 18.0 8.8 82 79 A Q E -g 40 0B 97 -2,-0.4 -41,-0.2 -43,-0.2 2,-0.1 -0.795 15.6-115.9-101.0 139.5 45.1 17.7 7.3 83 80 A V - 0 0 4 -43,-2.5 -41,-0.3 -2,-0.4 9,-0.1 -0.444 46.3 -99.3 -64.2 140.2 44.2 16.0 4.1 84 81 A R - 0 0 146 7,-0.5 7,-2.8 -2,-0.1 2,-0.5 -0.262 33.3-143.7 -62.7 148.3 42.8 18.5 1.7 85 82 A E E +J 90 0C 98 5,-0.2 2,-0.3 -3,-0.1 5,-0.2 -0.978 23.3 169.3-117.5 130.8 39.1 18.8 1.3 86 83 A S E > +J 89 0C 22 3,-2.5 3,-1.7 -2,-0.5 260,-0.1 -0.997 68.4 0.5-138.4 138.1 37.4 19.4 -2.0 87 84 A R T 3 S- 0 0 87 -2,-0.3 259,-0.1 1,-0.3 3,-0.1 0.810 130.8 -56.3 54.1 34.7 33.7 19.2 -2.8 88 85 A G T 3 S+ 0 0 36 1,-0.2 2,-0.3 254,-0.0 -1,-0.3 0.513 120.8 86.1 82.1 5.3 32.9 18.2 0.8 89 86 A K E < S-J 86 0C 13 -3,-1.7 -3,-2.5 253,-0.1 -1,-0.2 -0.940 86.6 -86.7-138.1 157.8 35.2 15.2 0.8 90 87 A A E -J 85 0C 11 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.375 40.3-154.7 -60.8 139.3 38.8 14.2 1.5 91 88 A N - 0 0 4 -7,-2.8 -7,-0.5 1,-0.1 3,-0.4 -0.973 13.1-171.2-123.9 118.3 40.9 14.6 -1.6 92 89 A L >> + 0 0 45 -2,-0.5 4,-2.1 1,-0.2 3,-0.9 0.231 48.6 117.4 -97.2 16.8 44.0 12.5 -1.9 93 90 A T H 3> S+ 0 0 31 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.867 70.1 57.3 -52.0 -45.7 45.5 14.1 -5.1 94 91 A K H 3> S+ 0 0 68 -3,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.876 110.9 44.0 -55.7 -37.7 48.7 15.4 -3.4 95 92 A Y H <> S+ 0 0 2 -3,-0.9 4,-2.1 2,-0.2 -1,-0.2 0.875 111.2 52.8 -78.1 -38.8 49.6 11.8 -2.3 96 93 A R H X S+ 0 0 69 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.912 111.2 47.5 -59.9 -42.7 48.8 10.2 -5.6 97 94 A E H X S+ 0 0 110 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.898 110.8 50.8 -68.3 -39.3 51.0 12.7 -7.4 98 95 A A H X S+ 0 0 2 -4,-1.8 4,-1.6 -5,-0.3 -1,-0.2 0.872 107.9 54.5 -62.8 -36.7 53.9 12.1 -4.9 99 96 A S H X S+ 0 0 3 -4,-2.1 4,-2.8 1,-0.2 5,-0.2 0.903 104.1 53.8 -62.3 -43.6 53.5 8.4 -5.6 100 97 A V H X S+ 0 0 68 -4,-1.9 4,-2.4 1,-0.2 5,-0.2 0.906 104.0 57.1 -57.6 -41.5 53.9 8.9 -9.3 101 98 A E H X S+ 0 0 69 -4,-1.7 4,-1.4 1,-0.2 -1,-0.2 0.921 112.4 40.7 -54.0 -47.9 57.2 10.8 -8.6 102 99 A V H X S+ 0 0 4 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.922 112.7 52.4 -70.9 -44.5 58.5 7.7 -6.8 103 100 A M H X S+ 0 0 5 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.868 107.4 53.6 -61.8 -37.5 57.2 5.1 -9.2 104 101 A E H < S+ 0 0 121 -4,-2.4 4,-0.5 -5,-0.2 -1,-0.2 0.890 109.1 48.6 -66.8 -38.3 58.7 6.9 -12.2 105 102 A I H >< S+ 0 0 11 -4,-1.4 3,-1.7 -5,-0.2 4,-0.5 0.953 111.5 49.3 -63.4 -50.0 62.2 6.9 -10.5 106 103 A M H >X S+ 0 0 3 -4,-2.4 3,-1.7 1,-0.3 4,-1.4 0.881 101.5 64.1 -57.5 -38.1 61.9 3.2 -9.6 107 104 A S T 3< S+ 0 0 41 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.679 90.3 67.1 -61.0 -17.8 60.9 2.4 -13.2 108 105 A R T <4 S+ 0 0 147 -3,-1.7 -1,-0.3 -4,-0.5 -2,-0.2 0.780 105.8 41.8 -72.0 -26.0 64.3 3.6 -14.4 109 106 A F T <4 S- 0 0 62 -3,-1.7 2,-0.3 -4,-0.5 -2,-0.2 0.827 127.8 -32.6 -90.6 -34.0 66.0 0.7 -12.7 110 107 A A S < S- 0 0 18 -4,-1.4 -1,-0.3 16,-0.0 2,-0.2 -0.987 75.7 -58.6-173.1 171.5 63.6 -2.1 -13.5 111 108 A V - 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0 0 65 -4,-0.4 -20,-1.4 -7,-0.1 2,-0.3 -0.931 58.2-139.3-144.0 165.2 66.8 0.5 5.9 234 235 A Q E -ef 148 213A 0 -87,-2.5 -85,-2.8 -2,-0.3 2,-0.4 -0.960 11.1-152.6-131.5 152.0 66.7 -2.5 3.7 235 236 A T E -ef 149 214A 0 -22,-2.2 -20,-2.3 -2,-0.3 2,-0.5 -0.981 5.0-150.2-131.1 131.3 66.8 -6.3 4.6 236 237 A L E -ef 150 215A 1 -87,-2.9 -85,-2.2 -2,-0.4 2,-0.6 -0.878 10.7-167.7-100.2 122.7 68.0 -9.3 2.6 237 238 A V - 0 0 0 -22,-2.4 -20,-0.3 -2,-0.5 2,-0.1 -0.934 11.9-159.8-111.8 106.9 66.2 -12.6 3.3 238 239 A S > - 0 0 9 -2,-0.6 3,-0.5 -87,-0.3 4,-0.5 -0.351 30.6-112.3 -80.7 164.9 68.1 -15.5 1.8 239 240 A H G > S+ 0 0 44 1,-0.2 3,-1.4 2,-0.2 -1,-0.1 0.916 119.6 56.1 -59.7 -40.0 66.6 -18.9 1.1 240 241 A G G 3 S+ 0 0 59 1,-0.3 4,-0.4 2,-0.1 -1,-0.2 0.757 99.6 59.5 -64.1 -26.6 68.8 -20.3 3.9 241 242 A S G <> S+ 0 0 14 -3,-0.5 4,-2.3 1,-0.2 -1,-0.3 0.618 84.2 85.7 -78.3 -12.2 67.4 -17.9 6.4 242 243 A V H <> S+ 0 0 3 -3,-1.4 4,-3.5 -4,-0.5 5,-0.3 0.906 80.3 54.1 -64.2 -47.3 63.9 -19.1 6.0 243 244 A P H > S+ 0 0 94 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.921 117.0 37.6 -56.5 -45.5 63.8 -22.1 8.4 244 245 A Q H > S+ 0 0 146 -4,-0.4 4,-0.6 2,-0.2 3,-0.4 0.925 117.7 51.0 -69.8 -44.8 64.9 -20.0 11.4 245 246 A L H >< S+ 0 0 18 -4,-2.3 3,-0.8 1,-0.2 -1,-0.2 0.932 115.8 41.6 -55.7 -47.4 62.9 -17.0 10.4 246 247 A F H >< S+ 0 0 2 -4,-3.5 29,-2.3 1,-0.2 3,-1.0 0.669 93.6 82.8 -75.8 -16.1 59.7 -19.0 10.0 247 248 A S H 3< S+ 0 0 60 -4,-1.0 -1,-0.2 -3,-0.4 -2,-0.2 0.749 112.1 18.1 -64.3 -24.5 60.3 -21.1 13.1 248 249 A Q T << S+ 0 0 148 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.102 94.4 120.9-129.1 20.4 58.8 -18.3 15.3 249 250 A M < - 0 0 24 -3,-1.0 25,-2.6 -5,-0.1 26,-0.2 -0.791 64.3-125.9 -92.4 113.3 56.9 -16.2 12.6 250 251 A P B > -K 273 0D 31 0, 0.0 3,-2.0 0, 0.0 4,-0.3 -0.311 19.1-123.6 -56.3 139.0 53.2 -15.9 13.4 251 252 A I G > S+ 0 0 0 21,-1.8 3,-1.8 1,-0.3 6,-0.2 0.842 106.7 65.3 -52.6 -36.9 51.2 -17.1 10.4 252 253 A R G 3 S+ 0 0 148 1,-0.3 -1,-0.3 6,-0.1 4,-0.1 0.608 88.0 69.9 -68.8 -10.7 49.3 -13.7 10.3 253 254 A K G < S+ 0 0 113 -3,-2.0 2,-0.4 4,-0.1 -1,-0.3 0.650 79.8 90.0 -80.0 -16.4 52.5 -11.9 9.4 254 255 A I S X S- 0 0 2 -3,-1.8 3,-2.4 -4,-0.3 4,-0.2 -0.682 94.7 -98.3 -85.7 133.2 52.6 -13.4 5.9 255 256 A R T 3 S+ 0 0 86 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.1 -0.258 108.9 18.4 -56.2 129.0 50.9 -11.5 3.2 256 257 A S T 3 S+ 0 0 76 -4,-0.1 -1,-0.3 -3,-0.0 6,-0.2 0.188 111.5 78.1 94.4 -10.8 47.3 -12.9 2.5 257 258 A L < + 0 0 1 -3,-2.4 -2,-0.2 -6,-0.2 -3,-0.1 0.236 62.9 93.7-107.8 11.8 47.2 -14.8 5.8 258 259 A G S S+ 0 0 61 -4,-0.2 -1,-0.1 4,-0.1 -6,-0.1 0.488 88.0 40.3 -83.0 -1.1 46.4 -11.8 8.0 259 260 A G S > S- 0 0 46 -3,-0.2 4,-1.8 0, 0.0 5,-0.1 0.000 117.2 -35.0-120.3-138.3 42.6 -12.4 7.8 260 261 A K H > S+ 0 0 194 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.856 128.0 51.9 -64.9 -40.1 40.1 -15.2 7.9 261 262 A L H > S+ 0 0 41 -5,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.944 109.9 49.4 -62.2 -48.6 42.2 -17.9 6.1 262 263 A G H > S+ 0 0 1 -6,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.880 110.0 52.6 -55.7 -39.8 45.2 -17.4 8.4 263 264 A A H X S+ 0 0 56 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.907 110.0 47.6 -64.4 -40.9 42.8 -17.7 11.3 264 265 A S H X S+ 0 0 38 -4,-2.1 4,-3.2 2,-0.2 5,-0.5 0.876 107.4 55.6 -70.9 -35.6 41.5 -21.0 9.9 265 266 A V H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 6,-0.4 0.952 112.3 44.3 -57.3 -47.6 45.0 -22.4 9.3 266 267 A I H X>S+ 0 0 61 -4,-2.2 4,-1.2 -5,-0.2 5,-0.7 0.919 119.6 41.6 -61.6 -45.4 45.8 -21.7 13.0 267 268 A E H <5S+ 0 0 165 -4,-2.3 -2,-0.2 2,-0.2 -3,-0.2 0.945 118.1 41.7 -71.6 -50.4 42.5 -23.2 14.2 268 269 A I H <5S+ 0 0 84 -4,-3.2 -3,-0.2 1,-0.2 -2,-0.2 0.889 124.8 34.8 -67.9 -40.1 42.2 -26.2 12.0 269 270 A L H <5S- 0 0 27 -4,-1.9 -1,-0.2 -5,-0.5 -2,-0.2 0.672 99.2-131.5 -93.1 -16.8 45.8 -27.3 12.2 270 271 A G T <5 + 0 0 63 -4,-1.2 2,-0.2 -5,-0.3 -3,-0.2 0.877 62.6 125.0 68.4 40.1 46.4 -26.2 15.7 271 272 A I < - 0 0 11 -5,-0.7 -1,-0.2 -6,-0.4 -2,-0.1 -0.766 45.9-164.5-123.1 170.0 49.6 -24.4 15.0 272 273 A E + 0 0 124 -2,-0.2 -21,-1.8 1,-0.2 2,-0.3 0.628 65.5 59.4-121.9 -31.0 51.0 -20.9 15.5 273 274 A Y B > S-K 250 0D 77 -23,-0.2 3,-1.1 -26,-0.1 4,-0.4 -0.795 74.3-123.6-116.3 150.8 54.1 -20.3 13.3 274 275 A M G > S+ 0 0 0 -25,-2.6 3,-1.7 -2,-0.3 4,-0.2 0.854 109.1 61.1 -54.0 -40.0 54.7 -20.5 9.5 275 276 A G G > S+ 0 0 18 -29,-2.3 3,-1.7 1,-0.3 -1,-0.3 0.790 89.7 68.6 -63.6 -28.7 57.4 -23.1 10.0 276 277 A E G X S+ 0 0 75 -3,-1.1 3,-1.1 -30,-0.3 -1,-0.3 0.662 83.3 75.3 -65.9 -15.7 55.0 -25.6 11.5 277 278 A L G X S+ 0 0 0 -3,-1.7 3,-1.6 -4,-0.4 -1,-0.3 0.726 75.2 78.0 -66.3 -21.0 53.3 -25.9 8.1 278 279 A T G < S+ 0 0 45 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.722 81.6 68.5 -63.7 -18.8 56.2 -28.0 6.8 279 280 A Q G < S+ 0 0 152 -3,-1.1 2,-0.3 -4,-0.2 -1,-0.3 0.367 87.0 79.2 -83.9 3.3 54.9 -31.1 8.7 280 281 A F S < S- 0 0 42 -3,-1.6 2,-0.1 18,-0.1 3,-0.0 -0.839 81.1-117.5-111.6 152.1 51.7 -31.5 6.5 281 282 A T > - 0 0 72 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.434 27.2-113.3 -81.7 162.5 51.5 -33.0 3.1 282 283 A E H > S+ 0 0 76 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.921 120.1 51.9 -60.3 -40.7 50.5 -30.9 0.1 283 284 A S H > S+ 0 0 84 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.889 106.5 54.0 -63.6 -37.9 47.3 -33.1 -0.1 284 285 A Q H > S+ 0 0 85 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.946 110.4 46.0 -60.6 -46.2 46.5 -32.4 3.6 285 286 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.907 112.3 50.7 -66.1 -40.1 46.8 -28.7 3.1 286 287 A Q H X S+ 0 0 49 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.854 104.2 59.4 -62.4 -35.3 44.6 -28.8 -0.0 287 288 A S H < S+ 0 0 88 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.908 116.4 32.1 -61.7 -40.4 42.0 -30.9 1.8 288 289 A H H < S+ 0 0 93 -4,-1.5 -2,-0.2 -5,-0.1 -1,-0.2 0.845 133.5 25.1 -83.8 -38.1 41.5 -28.1 4.4 289 290 A F H X S- 0 0 16 -4,-2.5 4,-0.5 1,-0.3 -3,-0.2 0.333 111.3 -99.0-118.0 5.4 42.1 -24.9 2.4 290 291 A G H X - 0 0 34 -4,-1.8 4,-2.4 -5,-0.2 -1,-0.3 -0.026 43.1 -72.1 93.3 161.1 41.4 -25.9 -1.2 291 292 A E H > S+ 0 0 159 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.910 128.6 41.8 -56.7 -49.3 43.6 -26.8 -4.1 292 293 A K H > S+ 0 0 181 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.949 119.0 41.4 -68.4 -51.4 45.1 -23.4 -4.8 293 294 A N H X S+ 0 0 64 -4,-0.5 4,-2.8 1,-0.2 5,-0.2 0.864 113.6 55.1 -66.2 -36.8 45.7 -22.3 -1.1 294 295 A G H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.926 110.7 43.1 -62.7 -46.5 47.0 -25.7 -0.2 295 296 A S H X S+ 0 0 39 -4,-1.8 4,-2.1 -5,-0.3 5,-0.3 0.909 114.5 51.9 -63.9 -42.7 49.6 -25.8 -2.9 296 297 A W H X S+ 0 0 52 -4,-2.2 4,-2.9 -5,-0.2 -2,-0.2 0.927 111.6 46.1 -60.1 -46.8 50.5 -22.2 -2.1 297 298 A L H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.886 109.0 55.1 -63.3 -41.7 50.9 -23.0 1.6 298 299 A Y H < S+ 0 0 72 -4,-2.3 4,-0.3 1,-0.2 -1,-0.2 0.936 117.4 35.4 -59.2 -47.5 53.0 -26.1 1.0 299 300 A A H ><>S+ 0 0 25 -4,-2.1 5,-2.5 1,-0.2 3,-1.3 0.898 114.9 56.6 -70.7 -41.6 55.5 -24.1 -1.1 300 301 A M H ><5S+ 0 0 0 -4,-2.9 3,-2.1 1,-0.3 -2,-0.2 0.865 98.8 57.5 -66.2 -38.4 55.3 -20.9 0.9 301 302 A C T 3<5S+ 0 0 4 -4,-2.2 -1,-0.3 1,-0.3 -23,-0.2 0.651 107.1 52.2 -67.7 -13.3 56.3 -22.4 4.3 302 303 A R T < 5S- 0 0 76 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.2 0.288 127.5-101.2 -98.6 5.7 59.4 -23.6 2.5 303 304 A G T < 5S+ 0 0 1 -3,-2.1 2,-0.4 1,-0.3 -3,-0.2 0.607 83.5 127.7 88.2 14.2 60.2 -20.1 1.3 304 305 A I < + 0 0 20 -5,-2.5 2,-0.3 -8,-0.1 -1,-0.3 -0.883 20.4 147.8-115.1 131.0 58.9 -20.8 -2.2 305 306 A E - 0 0 11 -2,-0.4 -86,-0.1 -298,-0.1 -84,-0.1 -0.966 25.7-163.0-159.4 144.0 56.3 -18.8 -4.2 306 307 A H + 0 0 115 -2,-0.3 -1,-0.0 -88,-0.1 -10,-0.0 0.438 37.5 136.1-117.3 0.7 55.9 -18.1 -7.9 307 308 A D - 0 0 44 1,-0.1 -88,-0.4 3,-0.0 -87,-0.1 -0.267 53.9-127.2 -51.6 122.9 53.6 -15.1 -8.2 308 309 A P - 0 0 73 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 -0.373 13.9-110.1 -76.0 153.7 55.2 -12.9 -10.9 309 310 A V - 0 0 9 -2,-0.1 -186,-0.1 -198,-0.0 -198,-0.0 -0.783 44.4-138.1 -73.1 112.3 56.0 -9.2 -10.6 310 311 A K - 0 0 71 -2,-0.8 2,-1.9 2,-0.1 -189,-0.1 -0.625 10.8-119.3 -81.6 134.3 53.4 -8.0 -13.0 311 312 A P + 0 0 113 0, 0.0 2,-0.3 0, 0.0 -198,-0.2 -0.540 69.7 124.6 -71.3 85.3 54.4 -5.2 -15.4 312 313 A R B +d 113 0A 67 -2,-1.9 -198,-3.2 -200,-1.2 -2,-0.1 -0.852 24.3 163.1-152.6 109.5 51.9 -2.6 -14.1 313 314 A Q + 0 0 68 -2,-0.3 -1,-0.1 -200,-0.2 -200,-0.1 0.638 64.0 68.5-101.5 -20.0 52.8 0.9 -12.9 314 315 A L S S- 0 0 59 1,-0.1 -200,-0.1 44,-0.0 -214,-0.0 -0.786 89.8-102.5-103.4 146.4 49.3 2.5 -13.1 315 316 A P - 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