==== 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 4ECZ . 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) . 21823.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 299 69.5 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 . 18 4.2 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 . 139 32.3 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 3 1 1 0 1 1 0 0 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 . 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 87 0, 0.0 3,-1.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-119.2 67.4 -34.1 -3.9 2 -1 A P T 3 + 0 0 125 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.568 360.0 47.5 -68.6 -14.3 68.7 -32.9 -7.4 3 0 A H T 3 S+ 0 0 182 2,-0.1 2,-0.9 0, 0.0 0, 0.0 0.364 83.4 111.6-107.3 1.1 65.1 -32.4 -8.7 4 1 A M < - 0 0 135 -3,-1.2 0, 0.0 2,-0.0 0, 0.0 -0.680 66.1-135.2 -85.9 106.8 63.8 -30.5 -5.7 5 2 A A - 0 0 72 -2,-0.9 -2,-0.1 1,-0.1 299,-0.0 -0.248 16.2-168.2 -58.2 143.5 63.0 -26.9 -6.7 6 3 A T - 0 0 59 297,-0.0 -1,-0.1 298,-0.0 -2,-0.0 0.375 35.8-120.8-117.9 1.4 64.3 -24.4 -4.2 7 4 A G S S+ 0 0 5 1,-0.1 298,-0.2 297,-0.1 3,-0.2 0.892 74.7 125.6 61.2 42.7 62.5 -21.2 -5.5 8 5 A Q + 0 0 46 1,-0.1 -1,-0.1 296,-0.1 210,-0.1 0.052 33.6 106.3-117.5 22.2 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 0.635 75.9 41.1 -78.6 -20.8 65.2 -18.6 -9.7 10 7 A R - 0 0 23 207,-0.4 2,-0.5 -3,-0.2 179,-0.1 -0.873 64.2-139.1-125.9 159.6 64.4 -14.8 -9.3 11 8 A V + 0 0 1 -2,-0.3 113,-2.9 177,-0.1 114,-0.6 -0.987 33.3 177.7-113.9 118.2 65.6 -11.8 -7.4 12 9 A V E -AB 123 216A 0 204,-2.6 204,-2.4 -2,-0.5 2,-0.3 -0.951 10.1-166.7-122.6 137.4 62.6 -9.7 -6.3 13 10 A A E -AB 122 215A 0 109,-2.3 109,-2.4 -2,-0.4 2,-0.5 -0.921 10.0-155.3-121.7 152.6 62.5 -6.5 -4.2 14 11 A L E -AB 121 214A 0 200,-2.1 200,-2.0 -2,-0.3 2,-0.5 -0.990 12.5-164.9-122.3 119.6 59.7 -4.7 -2.5 15 12 A V E -AB 120 213A 2 105,-2.6 105,-1.8 -2,-0.5 2,-0.4 -0.918 8.6-179.2-107.5 129.7 60.2 -1.0 -1.9 16 13 A D E -AB 119 212A 13 196,-2.7 196,-2.4 -2,-0.5 103,-0.2 -0.980 25.7-124.2-133.5 125.2 58.0 0.8 0.6 17 14 A M E > - B 0 211A 4 101,-2.3 3,-0.6 -2,-0.4 194,-0.3 -0.306 31.8-113.9 -66.0 140.5 58.0 4.5 1.5 18 15 A D T 3 S- 0 0 5 192,-2.0 5,-0.4 1,-0.2 192,-0.2 -0.586 86.2 -23.6 -73.6 141.5 58.4 5.2 5.2 19 16 A C T 3> S- 0 0 18 -2,-0.2 4,-2.2 3,-0.1 3,-0.3 0.775 87.3-166.7 20.5 67.0 55.3 6.9 6.9 20 17 A F H <> S+ 0 0 8 -3,-0.6 4,-2.1 1,-0.3 5,-0.2 0.860 72.0 42.9 -59.3 -55.6 54.5 8.0 3.4 21 18 A F H > S+ 0 0 32 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.872 114.4 55.1 -61.6 -34.8 51.7 10.7 3.7 22 19 A V H > S+ 0 0 2 -3,-0.3 4,-2.9 1,-0.2 -1,-0.2 0.945 107.1 48.7 -60.5 -47.3 53.7 12.2 6.6 23 20 A Q H X S+ 0 0 21 -4,-2.2 4,-2.5 -5,-0.4 -2,-0.2 0.881 108.3 54.7 -61.0 -37.9 56.9 12.5 4.5 24 21 A V H X S+ 0 0 5 -4,-2.1 4,-1.6 -5,-0.2 -1,-0.2 0.942 113.1 42.5 -58.4 -46.0 54.8 14.2 1.7 25 22 A E H X S+ 0 0 13 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.863 113.2 52.4 -70.0 -34.8 53.6 16.8 4.3 26 23 A Q H < S+ 0 0 23 -4,-2.9 7,-0.3 2,-0.2 6,-0.2 0.866 106.3 53.5 -71.0 -34.4 57.0 17.2 5.8 27 24 A R H < S+ 0 0 88 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.941 114.0 43.1 -61.2 -44.1 58.7 17.9 2.5 28 25 A Q H < S+ 0 0 120 -4,-1.6 -2,-0.2 1,-0.3 -1,-0.2 0.865 123.3 35.7 -71.2 -37.4 56.1 20.6 1.9 29 26 A N >< - 0 0 61 -4,-2.3 3,-2.5 1,-0.1 4,-0.3 -0.864 65.2-166.7-125.2 95.4 56.3 22.1 5.4 30 27 A P G > S+ 0 0 80 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.717 83.3 73.9 -57.3 -22.5 59.8 22.0 6.9 31 28 A H G 3 S+ 0 0 154 1,-0.2 -5,-0.1 3,-0.0 -2,-0.0 0.706 94.7 53.7 -61.3 -20.8 58.3 22.9 10.4 32 29 A L G X S+ 0 0 14 -3,-2.5 3,-1.0 -6,-0.2 -1,-0.2 0.585 83.6 113.3 -89.2 -11.4 57.0 19.3 10.5 33 30 A R T < S+ 0 0 114 -3,-1.3 -10,-0.0 -4,-0.3 -6,-0.0 -0.333 84.9 4.0 -68.7 140.3 60.4 17.6 9.8 34 31 A N T 3 S+ 0 0 138 1,-0.2 -1,-0.2 -2,-0.0 -2,-0.0 0.824 108.3 110.4 58.8 35.6 62.0 15.6 12.6 35 32 A K S < S- 0 0 104 -3,-1.0 2,-0.6 44,-0.0 22,-0.3 -0.930 82.4 -93.1-132.6 158.0 59.0 16.0 14.9 36 33 A P + 0 0 25 0, 0.0 43,-2.5 0, 0.0 2,-0.3 -0.621 67.9 151.2 -64.2 117.0 56.2 13.8 16.2 37 34 A C E -g 79 0B 4 -2,-0.6 17,-2.9 41,-0.2 2,-0.3 -0.988 28.8-167.6-154.8 157.1 53.5 14.4 13.6 38 35 A A E -gH 80 53B 1 41,-2.1 43,-2.0 -2,-0.3 2,-0.4 -0.961 22.1-123.9-141.9 159.5 50.6 12.7 12.0 39 36 A V E -gH 81 52B 1 13,-2.2 12,-3.0 -2,-0.3 13,-1.2 -0.917 33.5-174.3-108.3 136.3 48.3 13.2 9.0 40 37 A V E -gH 82 50B 0 41,-2.4 43,-2.5 -2,-0.4 2,-0.4 -0.912 18.0-141.6-130.0 151.5 44.6 13.4 9.7 41 38 A Q E S- H 0 49B 60 8,-2.2 8,-2.1 -2,-0.3 43,-0.1 -0.952 71.4 -2.4-116.9 141.5 41.4 13.6 7.7 42 39 A Y - 0 0 75 -2,-0.4 41,-0.1 41,-0.3 47,-0.0 0.002 60.5-155.1 64.2 174.2 38.4 15.7 8.7 43 40 A K S > S+ 0 0 81 5,-0.2 4,-1.2 39,-0.1 5,-0.1 0.439 71.6 79.5-156.9 -30.1 38.7 17.5 12.0 44 41 A S T 4 S+ 0 0 131 3,-0.2 2,-1.1 1,-0.2 3,-0.1 0.855 84.2 68.5 -64.3 -38.1 35.3 18.2 13.5 45 42 A W T >4 S- 0 0 163 1,-0.2 3,-1.6 2,-0.1 -1,-0.2 -0.736 133.0 -38.0 -92.3 97.2 34.8 14.7 14.9 46 43 A K T 34 S- 0 0 94 -2,-1.1 23,-2.8 1,-0.3 24,-0.4 0.757 114.6 -55.9 63.5 29.7 37.3 14.2 17.7 47 44 A G T 3< S- 0 0 5 -4,-1.2 -1,-0.3 21,-0.2 -3,-0.2 0.352 101.4 -67.1 89.6 -3.9 40.0 16.1 16.0 48 45 A G < - 0 0 1 -3,-1.6 20,-3.0 -5,-0.1 2,-0.4 -0.117 59.5 -77.7 104.1 156.0 40.1 14.0 12.9 49 46 A G E -HI 41 67B 13 -8,-2.1 -8,-2.2 18,-0.2 2,-0.3 -0.783 43.9-125.3 -93.6 132.5 41.1 10.4 12.1 50 47 A I E +H 40 0B 3 16,-2.7 15,-2.7 -2,-0.4 -10,-0.3 -0.596 33.0 168.6 -78.2 130.8 44.8 9.7 11.9 51 48 A I E + 0 0 35 -12,-3.0 2,-0.3 1,-0.3 -11,-0.2 0.542 67.1 22.9-115.6 -12.1 45.9 7.9 8.6 52 49 A A E -H 39 0B 2 -13,-1.2 -13,-2.2 11,-0.1 2,-0.4 -0.981 62.6-163.5-156.3 145.9 49.8 8.2 8.9 53 50 A V E -H 38 0B 5 -2,-0.3 -15,-0.2 -15,-0.2 -34,-0.1 -0.994 18.9-126.7-140.3 129.4 52.2 8.7 11.8 54 51 A S > - 0 0 1 -17,-2.9 4,-2.0 -2,-0.4 3,-0.3 -0.363 30.5-113.8 -72.5 156.7 55.9 9.7 11.9 55 52 A Y H > S+ 0 0 61 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.844 117.0 58.4 -62.7 -32.5 58.3 7.4 13.7 56 53 A E H 4 S+ 0 0 75 -21,-0.3 4,-0.4 1,-0.2 -1,-0.2 0.908 109.1 45.0 -62.0 -41.5 58.9 10.1 16.4 57 54 A A H >4>S+ 0 0 0 -22,-0.3 5,-1.5 -3,-0.3 3,-1.4 0.837 103.9 63.1 -70.7 -34.4 55.1 10.1 17.2 58 55 A R H ><5S+ 0 0 92 -4,-2.0 3,-1.6 1,-0.3 -1,-0.2 0.848 91.8 66.2 -59.1 -33.1 55.0 6.2 17.2 59 56 A A T 3<5S+ 0 0 92 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.786 99.6 51.9 -58.4 -27.0 57.4 6.2 20.1 60 57 A F T < 5S- 0 0 114 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.545 127.3 -99.6 -85.3 -8.2 54.6 7.9 22.1 61 58 A G T < 5 + 0 0 36 -3,-1.6 2,-0.3 -4,-0.4 -3,-0.2 0.510 69.5 153.4 102.4 8.4 52.0 5.2 21.1 62 59 A V < + 0 0 2 -5,-1.5 -1,-0.3 -8,-0.1 2,-0.3 -0.532 19.2 175.9 -71.2 134.3 50.3 7.1 18.4 63 60 A T > - 0 0 67 -2,-0.3 3,-1.1 -11,-0.1 -13,-0.2 -0.895 35.6 -84.8-135.2 163.2 48.8 4.8 15.7 64 61 A R T 3 S+ 0 0 160 -2,-0.3 -13,-0.2 1,-0.2 3,-0.1 -0.354 111.2 29.2 -58.7 146.4 46.7 4.9 12.6 65 62 A S T 3 S+ 0 0 96 -15,-2.7 -1,-0.2 1,-0.3 -14,-0.1 0.051 89.4 125.3 88.0 -24.1 42.9 4.9 13.2 66 63 A M < - 0 0 39 -3,-1.1 -16,-2.7 -17,-0.1 -1,-0.3 -0.379 68.2-114.3 -61.8 141.6 43.3 6.7 16.4 67 64 A W B >> -I 49 0B 90 -18,-0.2 4,-2.4 1,-0.1 3,-0.9 -0.593 22.4-124.2 -73.3 143.0 41.3 10.0 16.7 68 65 A A H 3> S+ 0 0 2 -20,-3.0 4,-2.2 1,-0.3 -21,-0.2 0.836 110.8 60.0 -62.2 -32.5 43.6 13.0 17.0 69 66 A D H 3> S+ 0 0 83 -23,-2.8 4,-0.5 -21,-0.3 -1,-0.3 0.880 110.5 43.0 -61.0 -32.8 42.0 14.1 20.2 70 67 A D H X> S+ 0 0 58 -3,-0.9 4,-1.0 -24,-0.4 3,-0.7 0.882 109.6 55.1 -81.4 -39.3 43.1 10.8 21.7 71 68 A A H >X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 3,-0.7 0.878 102.6 58.4 -56.4 -40.0 46.6 10.8 20.1 72 69 A K H 3< S+ 0 0 78 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.755 97.1 61.6 -64.7 -25.9 47.1 14.2 21.8 73 70 A K H << S+ 0 0 154 -3,-0.7 -1,-0.3 -4,-0.5 -2,-0.2 0.856 113.4 35.6 -67.3 -33.1 46.5 12.5 25.1 74 71 A L H << S+ 0 0 82 -4,-1.0 -2,-0.2 -3,-0.7 -1,-0.2 0.800 134.9 24.6 -84.5 -32.7 49.5 10.3 24.5 75 72 A C >< - 0 0 2 -4,-2.3 3,-2.1 -5,-0.2 -1,-0.2 -0.763 65.6-178.1-140.7 83.4 51.6 13.0 22.7 76 73 A P T 3 S+ 0 0 85 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.757 86.2 49.2 -59.9 -29.6 50.6 16.5 23.7 77 74 A D T 3 S+ 0 0 132 2,-0.1 -5,-0.1 -40,-0.0 -2,-0.0 0.215 79.1 141.0 -95.5 13.7 53.0 18.2 21.3 78 75 A L < - 0 0 1 -3,-2.1 2,-0.3 -6,-0.1 -41,-0.2 -0.329 43.7-143.3 -54.5 132.0 51.9 16.0 18.3 79 76 A L E -g 37 0B 59 -43,-2.5 -41,-2.1 -47,-0.1 2,-0.4 -0.755 15.7-153.0 -96.5 151.5 51.9 18.1 15.2 80 77 A L E -g 38 0B 51 -2,-0.3 2,-0.4 -43,-0.2 -41,-0.2 -0.942 17.0-167.5-129.4 145.5 49.2 17.6 12.5 81 78 A A E -g 39 0B 12 -43,-2.0 -41,-2.4 -2,-0.4 2,-0.4 -0.995 23.6-138.6-122.3 137.7 48.7 18.0 8.8 82 79 A Q E -g 40 0B 98 -2,-0.4 -41,-0.2 -43,-0.2 2,-0.1 -0.766 16.4-115.6 -99.6 140.8 45.2 17.7 7.3 83 80 A V - 0 0 6 -43,-2.5 -41,-0.3 -2,-0.4 9,-0.1 -0.417 45.2 -96.5 -65.0 143.0 44.2 16.0 4.1 84 81 A R - 0 0 145 7,-0.5 7,-2.6 -2,-0.1 2,-0.4 -0.261 36.0-147.2 -57.5 146.7 42.9 18.4 1.5 85 82 A E E +J 90 0C 96 5,-0.2 2,-0.3 -3,-0.1 5,-0.2 -0.990 22.5 167.9-121.1 130.0 39.1 18.7 1.3 86 83 A S E > +J 89 0C 21 3,-2.6 3,-1.6 -2,-0.4 260,-0.1 -0.997 67.3 1.3-139.8 137.2 37.3 19.4 -2.0 87 84 A R T 3 S- 0 0 83 -2,-0.3 3,-0.1 1,-0.3 259,-0.1 0.810 131.4 -56.5 56.1 32.9 33.6 19.1 -2.8 88 85 A G T 3 S+ 0 0 36 1,-0.2 2,-0.3 254,-0.0 -1,-0.3 0.559 120.1 87.8 81.4 10.1 32.9 18.2 0.8 89 86 A K E < S-J 86 0C 13 -3,-1.6 -3,-2.6 253,-0.1 -1,-0.2 -0.933 85.4 -86.8-138.7 160.9 35.3 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 -0.417 40.4-156.0 -62.5 138.2 38.9 14.1 1.5 91 88 A N - 0 0 2 -7,-2.6 -7,-0.5 -2,-0.1 3,-0.4 -0.971 13.8-172.2-124.4 117.0 41.0 14.5 -1.6 92 89 A L >> + 0 0 47 -2,-0.5 4,-2.1 1,-0.2 3,-0.9 0.187 48.1 118.5 -95.6 19.0 44.1 12.4 -1.9 93 90 A T H 3> + 0 0 29 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.868 69.5 56.8 -54.5 -44.3 45.5 14.0 -5.1 94 91 A K H 3> S+ 0 0 71 -3,-0.4 4,-1.9 1,-0.2 -1,-0.3 0.850 110.9 44.2 -57.6 -36.6 48.7 15.3 -3.5 95 92 A Y H <> S+ 0 0 2 -3,-0.9 4,-2.2 2,-0.2 -1,-0.2 0.865 110.8 53.1 -79.9 -36.6 49.7 11.8 -2.4 96 93 A R H X S+ 0 0 72 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.909 112.1 47.1 -60.4 -40.6 48.8 10.1 -5.7 97 94 A E H X S+ 0 0 106 -4,-2.7 4,-1.5 -5,-0.2 -2,-0.2 0.906 110.5 50.5 -70.7 -39.8 51.0 12.7 -7.4 98 95 A A H X S+ 0 0 2 -4,-1.9 4,-1.5 -5,-0.2 -1,-0.2 0.861 107.8 55.8 -61.8 -36.0 53.9 12.1 -5.0 99 96 A S H X S+ 0 0 3 -4,-2.2 4,-2.9 1,-0.2 5,-0.2 0.919 102.5 54.4 -61.7 -45.2 53.5 8.4 -5.6 100 97 A V H X S+ 0 0 70 -4,-1.9 4,-2.6 1,-0.2 5,-0.3 0.890 103.4 57.7 -56.6 -39.4 53.9 8.9 -9.4 101 98 A E H X S+ 0 0 68 -4,-1.5 4,-1.3 1,-0.2 -1,-0.2 0.916 111.6 40.5 -56.2 -48.1 57.2 10.7 -8.6 102 99 A V H X S+ 0 0 4 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.922 113.9 52.3 -68.2 -44.8 58.5 7.6 -6.8 103 100 A M H X S+ 0 0 5 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.871 106.7 53.0 -61.9 -37.7 57.1 5.1 -9.3 104 101 A E H < S+ 0 0 123 -4,-2.6 4,-0.4 -5,-0.2 -1,-0.2 0.908 109.4 49.7 -67.3 -38.2 58.7 6.8 -12.3 105 102 A I H >< S+ 0 0 10 -4,-1.3 3,-1.9 -5,-0.3 4,-0.5 0.958 109.9 49.8 -61.2 -50.7 62.1 6.8 -10.7 106 103 A M H >X S+ 0 0 2 -4,-2.3 3,-1.8 1,-0.3 4,-1.3 0.883 101.3 65.0 -56.1 -38.9 61.9 3.0 -9.8 107 104 A S T 3< S+ 0 0 40 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.609 88.7 67.7 -61.7 -16.3 60.9 2.3 -13.4 108 105 A R T <4 S+ 0 0 148 -3,-1.9 -1,-0.3 -4,-0.4 -2,-0.2 0.789 105.8 41.6 -71.3 -27.1 64.3 3.4 -14.6 109 106 A F T <4 S- 0 0 60 -3,-1.8 2,-0.3 -4,-0.5 -2,-0.2 0.813 129.2 -30.8 -90.0 -32.1 65.9 0.4 -12.9 110 107 A A S < S- 0 0 20 -4,-1.3 -1,-0.3 16,-0.0 2,-0.3 -0.985 75.4 -64.0-174.1 168.7 63.3 -2.2 -13.8 111 108 A V - 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0 0 2 -6,-0.6 -1,-0.3 -192,-0.0 2,-0.3 -0.664 46.4-149.4 -91.9 135.1 61.5 10.7 0.4 210 211 A Q + 0 0 65 -2,-0.3 -192,-2.0 -192,-0.2 2,-0.3 -0.697 20.5 176.9 -93.9 154.9 63.1 7.9 2.4 211 212 A C E -B 17 0A 2 -194,-0.3 2,-0.3 -2,-0.3 -194,-0.2 -0.939 23.5-131.2-148.4 168.6 62.0 4.2 2.1 212 213 A S E -B 16 0A 0 -196,-2.4 -196,-2.7 -2,-0.3 2,-0.3 -0.767 24.2-167.0-113.4 165.0 62.7 0.7 3.2 213 214 A A E -Bf 15 234A 0 20,-1.4 22,-2.3 -2,-0.3 2,-0.4 -0.995 16.0-147.1-150.9 153.7 63.1 -2.4 1.1 214 215 A G E -Bf 14 235A 0 -200,-2.0 -200,-2.1 -2,-0.3 2,-0.5 -0.960 11.9-163.0-116.0 142.3 63.2 -6.2 1.2 215 216 A I E +Bf 13 236A 0 20,-2.4 22,-2.6 -2,-0.4 2,-0.2 -0.991 33.3 120.7-124.4 121.6 65.3 -8.3 -1.2 216 217 A S E S-B 12 0A 0 -204,-2.4 -204,-2.6 -2,-0.5 22,-0.1 -0.734 71.3 -79.3-152.4-156.1 64.6 -12.0 -1.6 217 218 A H S S+ 0 0 2 20,-0.3 -207,-0.4 -206,-0.2 2,-0.3 0.471 104.3 17.8 -99.8 -4.8 63.6 -14.6 -4.2 218 219 A N S > S- 0 0 0 -206,-0.2 4,-1.9 1,-0.1 5,-0.2 -0.952 83.6 -96.8-156.4 174.5 59.9 -13.9 -4.3 219 220 A K H > S+ 0 0 2 88,-0.4 4,-2.6 -2,-0.3 5,-0.2 0.898 115.3 51.8 -68.7 -43.1 57.3 -11.2 -3.5 220 221 A V H > S+ 0 0 2 1,-0.2 4,-2.6 2,-0.2 35,-0.2 0.941 114.1 42.9 -62.2 -46.5 56.1 -12.6 -0.1 221 222 A L H > S+ 0 0 1 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.871 113.1 52.8 -67.3 -36.6 59.6 -12.9 1.3 222 223 A A H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -208,-0.3 0.918 111.6 46.7 -64.9 -41.6 60.6 -9.5 -0.1 223 224 A K H X S+ 0 0 68 -4,-2.6 4,-1.3 2,-0.2 -2,-0.2 0.936 114.0 46.8 -63.5 -48.9 57.6 -8.0 1.6 224 225 A L H X S+ 0 0 22 -4,-2.6 4,-0.5 1,-0.2 3,-0.5 0.940 112.7 51.1 -57.1 -49.3 58.3 -9.8 4.9 225 226 A A H >X S+ 0 0 0 -4,-3.0 3,-1.5 1,-0.2 4,-0.5 0.881 101.8 61.4 -54.7 -42.4 61.9 -8.7 4.7 226 227 A C H >< S+ 0 0 2 -4,-2.1 3,-0.7 1,-0.3 -1,-0.2 0.887 103.9 48.9 -56.4 -39.7 61.0 -5.1 4.1 227 228 A G H >< S+ 0 0 51 -4,-1.3 3,-0.5 -3,-0.5 -1,-0.3 0.577 91.3 80.3 -77.6 -9.0 59.3 -4.8 7.4 228 229 A L H << S+ 0 0 55 -3,-1.5 -1,-0.2 -4,-0.5 2,-0.2 0.792 105.5 23.4 -73.9 -28.6 62.1 -6.3 9.5 229 230 A N T << S- 0 0 42 -3,-0.7 4,-0.4 -4,-0.5 -1,-0.3 -0.634 90.7-168.8-139.6 76.6 64.2 -3.2 9.6 230 231 A K < + 0 0 63 -3,-0.5 2,-0.1 -2,-0.2 4,-0.1 -0.875 45.3 43.6-112.5 149.2 62.2 0.0 9.2 231 232 A P S S- 0 0 50 0, 0.0 3,-0.1 0, 0.0 -19,-0.1 0.578 122.1 -13.4 -97.3 172.3 62.6 2.9 8.7 232 233 A N S S+ 0 0 39 1,-0.2 2,-0.3 -2,-0.1 -20,-0.2 0.755 108.2 98.6 59.2 30.8 65.2 3.9 6.2 233 234 A R - 0 0 65 -4,-0.4 -20,-1.4 -7,-0.2 2,-0.3 -0.930 58.0-141.6-140.2 164.2 66.9 0.5 5.9 234 235 A Q E -ef 148 213A 0 -87,-2.5 -85,-2.6 -2,-0.3 2,-0.4 -0.964 11.8-153.8-130.1 150.8 66.8 -2.6 3.6 235 236 A T E -ef 149 214A 0 -22,-2.3 -20,-2.4 -2,-0.3 2,-0.5 -0.981 5.3-149.9-130.6 131.7 66.9 -6.2 4.5 236 237 A L E -ef 150 215A 1 -87,-3.1 -85,-2.2 -2,-0.4 2,-0.6 -0.875 11.0-168.4 -98.3 126.0 68.1 -9.3 2.5 237 238 A V - 0 0 0 -22,-2.6 -20,-0.3 -2,-0.5 2,-0.1 -0.943 11.3-159.2-116.3 109.2 66.3 -12.5 3.3 238 239 A S > - 0 0 9 -2,-0.6 3,-0.6 -87,-0.3 4,-0.5 -0.389 30.9-111.2 -84.7 165.2 68.1 -15.5 1.7 239 240 A H G > S+ 0 0 46 1,-0.2 3,-1.4 2,-0.2 -1,-0.1 0.908 119.3 56.0 -57.3 -39.7 66.6 -18.9 1.0 240 241 A G G 3 S+ 0 0 60 1,-0.3 4,-0.4 2,-0.1 -1,-0.2 0.757 98.4 60.5 -66.6 -27.1 68.9 -20.3 3.8 241 242 A S G <> S+ 0 0 15 -3,-0.6 4,-2.2 1,-0.2 -1,-0.3 0.617 84.0 87.1 -75.1 -11.3 67.5 -17.9 6.4 242 243 A V H <> S+ 0 0 4 -3,-1.4 4,-3.2 -4,-0.5 5,-0.3 0.892 78.6 54.2 -64.4 -46.4 64.0 -19.2 6.0 243 244 A P H > S+ 0 0 93 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.926 116.7 37.7 -56.8 -45.5 63.9 -22.2 8.4 244 245 A Q H > S+ 0 0 148 -4,-0.4 4,-0.6 2,-0.2 3,-0.3 0.923 117.6 51.0 -71.1 -43.4 65.0 -20.1 11.5 245 246 A L H >< S+ 0 0 18 -4,-2.2 3,-0.7 1,-0.2 -1,-0.2 0.914 115.1 42.3 -57.3 -45.7 63.0 -17.0 10.4 246 247 A F H >< S+ 0 0 2 -4,-3.2 29,-2.3 1,-0.2 3,-1.1 0.667 94.6 82.0 -78.8 -15.9 59.8 -19.0 10.0 247 248 A S H 3< S+ 0 0 60 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.774 111.4 19.1 -64.6 -26.0 60.3 -21.1 13.2 248 249 A Q T << S+ 0 0 150 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.060 95.3 121.7-127.8 23.6 58.9 -18.3 15.3 249 250 A M < - 0 0 24 -3,-1.1 25,-2.8 -5,-0.1 26,-0.2 -0.800 64.1-127.1 -94.3 111.6 57.1 -16.3 12.7 250 251 A P B > -K 273 0D 31 0, 0.0 3,-2.0 0, 0.0 4,-0.3 -0.296 19.1-124.5 -56.3 137.6 53.4 -16.0 13.5 251 252 A I G > S+ 0 0 0 21,-1.9 3,-1.8 1,-0.3 6,-0.2 0.840 105.4 65.8 -53.0 -37.7 51.3 -17.1 10.5 252 253 A R G 3 S+ 0 0 149 1,-0.3 -1,-0.3 20,-0.2 4,-0.2 0.624 87.4 71.2 -64.9 -11.8 49.4 -13.8 10.3 253 254 A K G < S+ 0 0 112 -3,-2.0 2,-0.3 4,-0.1 -1,-0.3 0.703 77.9 89.8 -79.2 -18.0 52.5 -12.0 9.4 254 255 A I S X S- 0 0 1 -3,-1.8 3,-2.4 -4,-0.3 4,-0.2 -0.641 94.6 -97.6 -84.5 134.5 52.7 -13.5 5.9 255 256 A R T 3 S+ 0 0 91 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.1 -0.272 109.5 18.3 -59.1 126.3 50.9 -11.5 3.2 256 257 A S T 3 S+ 0 0 76 -4,-0.2 3,-0.3 -3,-0.0 -1,-0.3 0.115 110.9 78.4 99.3 -13.7 47.4 -13.0 2.5 257 258 A L < + 0 0 1 -3,-2.4 -2,-0.2 -6,-0.2 -3,-0.1 0.223 62.9 95.6-103.8 10.4 47.3 -14.9 5.9 258 259 A G S S+ 0 0 61 -4,-0.2 -1,-0.2 -5,-0.1 -6,-0.1 0.571 86.5 39.7 -77.0 -7.1 46.5 -11.9 8.0 259 260 A G S > S- 0 0 45 -3,-0.3 4,-2.0 0, 0.0 5,-0.2 0.075 116.5 -36.5-118.3-138.5 42.7 -12.6 7.9 260 261 A K H > S+ 0 0 194 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.839 127.9 53.8 -66.0 -36.6 40.2 -15.4 8.1 261 262 A L H > S+ 0 0 40 -5,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.930 110.6 47.1 -63.5 -45.5 42.3 -18.0 6.1 262 263 A G H > S+ 0 0 2 1,-0.2 4,-2.2 -6,-0.2 -2,-0.2 0.887 110.4 52.9 -62.9 -39.1 45.3 -17.5 8.5 263 264 A A H X S+ 0 0 57 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.870 110.4 48.2 -62.6 -36.6 43.0 -17.8 11.5 264 265 A S H X S+ 0 0 39 -4,-1.9 4,-2.8 2,-0.2 5,-0.4 0.862 106.1 56.0 -76.2 -32.4 41.7 -21.1 10.1 265 266 A V H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 6,-0.4 0.967 112.7 44.1 -58.8 -47.7 45.2 -22.4 9.4 266 267 A I H X>S+ 0 0 59 -4,-2.2 4,-1.4 1,-0.2 5,-0.8 0.932 119.0 41.1 -60.5 -49.4 45.9 -21.8 13.1 267 268 A E H <5S+ 0 0 165 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.929 117.7 44.0 -69.1 -47.2 42.6 -23.2 14.4 268 269 A I H <5S+ 0 0 86 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.892 124.1 33.3 -68.6 -40.4 42.3 -26.3 12.2 269 270 A L H <5S- 0 0 26 -4,-2.0 -1,-0.2 -5,-0.4 -2,-0.2 0.613 99.3-128.9 -95.0 -13.0 45.9 -27.4 12.4 270 271 A G T <5 + 0 0 66 -4,-1.4 2,-0.2 -5,-0.3 -3,-0.2 0.859 64.2 125.5 68.0 36.6 46.6 -26.3 16.0 271 272 A I < - 0 0 13 -5,-0.8 -1,-0.2 -6,-0.4 -2,-0.1 -0.715 45.8-165.5-121.5 172.2 49.8 -24.4 15.1 272 273 A E + 0 0 120 -2,-0.2 -21,-1.9 1,-0.2 2,-0.3 0.632 65.1 58.5-124.7 -32.6 51.2 -20.9 15.6 273 274 A Y B > S-K 250 0D 76 -23,-0.2 3,-1.3 -26,-0.1 4,-0.5 -0.788 74.6-121.8-117.0 150.8 54.2 -20.3 13.3 274 275 A M G > S+ 0 0 0 -25,-2.8 3,-1.6 -2,-0.3 4,-0.2 0.856 110.0 59.4 -52.3 -41.5 54.8 -20.5 9.6 275 276 A G G > S+ 0 0 18 -29,-2.3 3,-1.8 1,-0.3 -1,-0.3 0.779 90.2 69.6 -62.4 -29.1 57.5 -23.1 10.0 276 277 A E G X S+ 0 0 76 -3,-1.3 3,-1.3 -30,-0.3 -1,-0.3 0.742 84.0 74.3 -63.8 -19.2 55.1 -25.6 11.6 277 278 A L G X S+ 0 0 0 -3,-1.6 3,-1.8 -4,-0.5 -1,-0.3 0.727 75.4 78.0 -62.5 -22.5 53.4 -25.9 8.2 278 279 A T G < S+ 0 0 44 -3,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.701 81.1 68.6 -66.5 -17.0 56.2 -28.0 6.8 279 280 A Q G < S+ 0 0 150 -3,-1.3 2,-0.3 -4,-0.2 -1,-0.3 0.502 86.3 80.3 -82.4 -2.4 55.0 -31.1 8.7 280 281 A F S < S- 0 0 44 -3,-1.8 2,-0.1 -4,-0.1 3,-0.0 -0.792 81.6-118.2-105.0 147.0 51.8 -31.4 6.6 281 282 A T > - 0 0 75 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.353 28.1-111.5 -74.7 161.9 51.7 -33.0 3.1 282 283 A E H > S+ 0 0 79 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.924 121.1 51.3 -58.8 -40.2 50.6 -30.9 0.1 283 284 A S H > S+ 0 0 83 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.879 105.5 55.0 -67.0 -37.0 47.4 -33.0 -0.0 284 285 A Q H > S+ 0 0 85 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.959 111.1 44.6 -57.9 -49.2 46.7 -32.5 3.7 285 286 A L H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 3,-0.3 0.885 112.2 51.5 -65.4 -38.3 46.8 -28.7 3.2 286 287 A Q H X S+ 0 0 49 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.863 104.8 58.9 -64.6 -33.3 44.7 -28.9 0.0 287 288 A S H < S+ 0 0 87 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.823 116.2 32.4 -64.8 -32.0 42.2 -30.9 1.9 288 289 A H H < S+ 0 0 90 -4,-1.2 -2,-0.2 -3,-0.3 -1,-0.2 0.829 133.8 23.1 -91.9 -36.6 41.7 -28.1 4.5 289 290 A F H < S- 0 0 17 -4,-2.5 4,-0.4 1,-0.3 -3,-0.2 0.365 111.3 -96.6-120.9 3.1 42.2 -24.9 2.5 290 291 A G X - 0 0 35 -4,-1.8 4,-2.6 -5,-0.3 -1,-0.3 -0.089 42.5 -72.6 97.8 162.4 41.5 -25.9 -1.1 291 292 A E H > S+ 0 0 157 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.915 128.7 40.0 -58.6 -50.3 43.6 -26.9 -4.1 292 293 A K H > S+ 0 0 181 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.971 120.0 42.7 -67.5 -54.9 45.1 -23.4 -4.7 293 294 A N H > S+ 0 0 62 -4,-0.4 4,-2.8 1,-0.2 5,-0.2 0.866 113.4 54.2 -59.0 -39.7 45.7 -22.4 -1.1 294 295 A G H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.923 111.2 43.0 -61.9 -46.8 47.0 -25.8 -0.2 295 296 A S H X S+ 0 0 39 -4,-1.9 4,-2.0 -5,-0.2 5,-0.2 0.901 114.6 51.9 -64.4 -41.6 49.7 -25.8 -2.9 296 297 A W H X S+ 0 0 55 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.918 111.6 46.0 -62.7 -45.5 50.5 -22.2 -2.1 297 298 A L H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 5,-0.2 0.894 108.7 55.8 -62.1 -42.3 51.0 -23.0 1.6 298 299 A Y H < S+ 0 0 74 -4,-2.3 4,-0.3 1,-0.2 -2,-0.2 0.926 117.3 34.9 -60.1 -46.9 53.0 -26.1 1.0 299 300 A A H ><>S+ 0 0 23 -4,-2.0 5,-2.6 1,-0.2 3,-1.3 0.898 115.2 56.5 -71.3 -42.8 55.5 -24.1 -1.1 300 301 A M H ><5S+ 0 0 0 -4,-2.9 3,-2.0 1,-0.3 -2,-0.2 0.858 99.5 57.1 -63.9 -37.9 55.4 -20.9 0.9 301 302 A C T 3<5S+ 0 0 4 -4,-2.4 -1,-0.3 1,-0.3 -23,-0.2 0.672 107.3 52.0 -68.2 -13.9 56.3 -22.5 4.3 302 303 A R T < 5S- 0 0 77 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.2 0.273 127.5-100.6 -99.7 7.8 59.5 -23.7 2.6 303 304 A G T < 5S+ 0 0 1 -3,-2.0 2,-0.5 1,-0.2 -3,-0.2 0.620 83.5 128.3 86.5 13.3 60.3 -20.2 1.3 304 305 A I < + 0 0 21 -5,-2.6 2,-0.3 -8,-0.1 -1,-0.2 -0.889 21.4 151.6-114.0 129.6 58.9 -20.8 -2.2 305 306 A E - 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