==== 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 4ECY . 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) . 21797.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 297 69.1 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 . 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 2 1 2 1 1 0 1 0 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 . 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 82 0, 0.0 3,-1.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-128.3 67.2 -34.1 -3.9 2 -1 A P T 3 + 0 0 122 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.522 360.0 45.3 -72.5 -6.7 68.7 -33.0 -7.3 3 0 A H T 3 S+ 0 0 180 2,-0.1 2,-0.8 0, 0.0 0, 0.0 0.337 83.7 113.0-115.8 1.7 65.1 -32.4 -8.6 4 1 A M < - 0 0 133 -3,-1.1 2,-0.0 1,-0.0 0, 0.0 -0.684 66.7-131.9 -83.4 110.6 63.7 -30.6 -5.6 5 2 A A - 0 0 71 -2,-0.8 -2,-0.1 1,-0.1 299,-0.0 -0.303 18.9-169.9 -62.0 141.3 63.0 -27.0 -6.5 6 3 A T - 0 0 59 297,-0.0 -1,-0.1 298,-0.0 -2,-0.0 0.359 35.7-122.5-115.9 1.5 64.3 -24.4 -4.1 7 4 A G S S+ 0 0 6 1,-0.1 298,-0.2 297,-0.1 3,-0.1 0.898 73.3 126.0 57.3 44.8 62.5 -21.3 -5.4 8 5 A Q + 0 0 43 1,-0.1 -1,-0.1 296,-0.1 210,-0.1 0.009 33.6 104.8-118.0 26.1 65.8 -19.4 -6.1 9 6 A D S S+ 0 0 92 208,-0.1 2,-0.3 2,-0.0 -1,-0.1 0.714 75.8 44.9 -83.2 -23.5 65.2 -18.6 -9.7 10 7 A R - 0 0 25 207,-0.4 2,-0.5 -3,-0.1 179,-0.0 -0.844 64.3-140.5-122.1 156.0 64.3 -14.9 -9.3 11 8 A V + 0 0 1 -2,-0.3 113,-2.6 177,-0.0 114,-0.7 -0.979 33.2 178.1-111.3 118.0 65.6 -11.8 -7.5 12 9 A V E -AB 123 216A 0 204,-3.1 204,-2.7 -2,-0.5 2,-0.3 -0.955 10.6-168.1-125.8 137.9 62.6 -9.8 -6.3 13 10 A A E -AB 122 215A 0 109,-2.5 109,-2.6 -2,-0.4 2,-0.5 -0.907 10.6-154.7-122.8 151.9 62.5 -6.6 -4.3 14 11 A L E -AB 121 214A 0 200,-2.1 200,-1.9 -2,-0.3 2,-0.5 -0.981 11.3-159.9-124.2 117.3 59.7 -4.8 -2.5 15 12 A V E -AB 120 213A 2 105,-2.7 105,-1.8 -2,-0.5 2,-0.4 -0.861 10.4-177.1 -98.5 130.4 60.1 -1.0 -2.0 16 13 A D E -AB 119 212A 16 196,-3.0 196,-3.0 -2,-0.5 103,-0.2 -0.960 22.2-132.0-133.7 112.6 58.0 0.6 0.8 17 14 A M E > - B 0 211A 4 101,-2.1 3,-0.6 -2,-0.4 194,-0.3 -0.324 30.3-112.1 -63.9 141.1 58.0 4.3 1.5 18 15 A D T 3 S- 0 0 5 192,-2.2 5,-0.4 1,-0.3 192,-0.2 -0.586 84.6 -26.6 -78.0 137.1 58.4 5.2 5.1 19 16 A C T 3> S- 0 0 18 -2,-0.3 4,-2.1 3,-0.1 3,-0.4 0.788 85.9-165.4 22.1 66.3 55.3 6.8 6.8 20 17 A F H <> S+ 0 0 8 -3,-0.6 4,-2.1 1,-0.3 5,-0.2 0.833 72.7 43.1 -54.4 -57.7 54.5 8.0 3.3 21 18 A F H > S+ 0 0 32 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.867 114.4 54.5 -59.2 -36.0 51.8 10.7 3.7 22 19 A V H > S+ 0 0 1 -3,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.930 107.2 49.7 -60.8 -46.6 53.7 12.2 6.6 23 20 A Q H X S+ 0 0 20 -4,-2.1 4,-2.2 -5,-0.4 -2,-0.2 0.871 108.1 54.1 -59.7 -39.5 56.8 12.4 4.4 24 21 A V H X S+ 0 0 5 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.933 113.0 42.2 -60.2 -45.9 54.8 14.2 1.7 25 22 A E H X S+ 0 0 13 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.830 112.8 53.9 -71.4 -32.7 53.6 16.8 4.2 26 23 A Q H < S+ 0 0 26 -4,-2.5 7,-0.3 2,-0.2 6,-0.2 0.837 106.0 52.1 -71.5 -34.4 57.0 17.1 5.8 27 24 A R H < S+ 0 0 89 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.915 114.4 43.8 -64.5 -41.4 58.7 17.8 2.4 28 25 A Q H < S+ 0 0 122 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.832 123.1 36.4 -72.8 -34.7 56.1 20.6 1.8 29 26 A N >< - 0 0 61 -4,-2.1 3,-2.5 1,-0.1 4,-0.4 -0.855 64.5-167.9-126.4 95.9 56.3 22.0 5.3 30 27 A P G > S+ 0 0 78 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.720 83.2 74.2 -55.5 -24.4 59.8 22.0 6.9 31 28 A H G 3 S+ 0 0 156 1,-0.3 -5,-0.1 3,-0.0 -2,-0.0 0.720 94.9 52.3 -60.7 -21.8 58.3 22.8 10.3 32 29 A L G X S+ 0 0 14 -3,-2.5 3,-1.0 -6,-0.2 -1,-0.3 0.596 83.9 113.4 -90.6 -12.8 57.1 19.2 10.5 33 30 A R T < S+ 0 0 117 -3,-1.3 -10,-0.0 -4,-0.4 -6,-0.0 -0.331 85.2 5.5 -66.7 139.7 60.4 17.6 9.7 34 31 A N T 3 S+ 0 0 141 1,-0.2 -1,-0.2 -2,-0.0 -2,-0.0 0.841 108.6 113.6 57.7 37.3 62.0 15.6 12.5 35 32 A K S < S- 0 0 102 -3,-1.0 2,-0.7 44,-0.0 22,-0.3 -0.940 81.7 -96.2-132.4 154.1 59.0 16.0 14.7 36 33 A P + 0 0 25 0, 0.0 43,-2.7 0, 0.0 2,-0.3 -0.640 68.0 152.6 -64.7 112.9 56.3 13.8 16.2 37 34 A C E -g 79 0B 3 -2,-0.7 17,-3.0 41,-0.2 2,-0.3 -0.961 28.7-167.8-147.3 161.2 53.6 14.4 13.5 38 35 A A E -gH 80 53B 1 41,-1.9 43,-2.1 -2,-0.3 2,-0.5 -0.978 22.9-122.5-146.3 156.4 50.6 12.7 11.9 39 36 A V E -gH 81 52B 1 13,-2.3 12,-3.0 -2,-0.3 13,-1.2 -0.905 33.8-174.2-103.3 131.6 48.3 13.1 8.9 40 37 A V E -gH 82 50B 0 41,-2.6 43,-2.6 -2,-0.5 2,-0.4 -0.908 17.8-144.8-125.7 151.0 44.6 13.4 9.7 41 38 A Q E S- H 0 49B 60 8,-2.2 8,-1.9 -2,-0.3 43,-0.1 -0.970 71.2 -1.4-117.8 136.0 41.5 13.6 7.6 42 39 A Y - 0 0 74 -2,-0.4 41,-0.1 41,-0.3 7,-0.0 0.140 59.6-151.6 65.3 164.7 38.5 15.8 8.7 43 40 A K S > S+ 0 0 84 5,-0.2 4,-1.0 39,-0.1 5,-0.1 0.508 73.6 78.0-142.9 -24.0 38.8 17.7 12.0 44 41 A S T 4 S+ 0 0 127 3,-0.2 2,-1.1 1,-0.2 3,-0.3 0.922 83.7 66.6 -63.2 -49.2 35.3 18.1 13.5 45 42 A W T >4 S- 0 0 168 1,-0.2 3,-1.8 2,-0.1 -1,-0.2 -0.661 133.8 -36.9 -84.3 100.1 34.9 14.7 14.9 46 43 A K T 34 S- 0 0 96 -2,-1.1 23,-2.6 1,-0.3 24,-0.4 0.799 115.2 -56.1 58.9 33.6 37.4 14.2 17.7 47 44 A G T 3< S- 0 0 4 -4,-1.0 -1,-0.3 -3,-0.3 -3,-0.2 0.382 101.5 -71.2 84.2 -4.0 40.1 16.2 16.0 48 45 A G < - 0 0 1 -3,-1.8 20,-3.1 -5,-0.1 2,-0.4 -0.090 59.1 -71.7 101.5 158.3 40.0 14.0 12.9 49 46 A G E -HI 41 67B 12 -8,-1.9 -8,-2.2 18,-0.2 2,-0.4 -0.749 42.9-128.1 -92.5 132.0 41.1 10.5 12.1 50 47 A I E +H 40 0B 2 16,-2.5 15,-3.1 -2,-0.4 -10,-0.2 -0.618 31.6 168.0 -79.9 129.3 44.8 9.7 11.9 51 48 A I E + 0 0 32 -12,-3.0 2,-0.3 -2,-0.4 -11,-0.2 0.527 67.0 26.8-116.3 -11.9 45.9 7.9 8.7 52 49 A A E -H 39 0B 3 -13,-1.2 -13,-2.3 11,-0.1 2,-0.4 -0.985 62.7-163.8-153.4 144.7 49.7 8.2 8.9 53 50 A V E -H 38 0B 6 -2,-0.3 -15,-0.2 -15,-0.2 -34,-0.1 -0.990 18.6-127.8-137.7 129.8 52.2 8.6 11.8 54 51 A S > - 0 0 1 -17,-3.0 4,-2.1 -2,-0.4 3,-0.5 -0.358 30.2-115.3 -70.5 155.2 55.8 9.7 11.9 55 52 A Y H > S+ 0 0 62 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.819 116.5 58.9 -64.3 -28.7 58.3 7.4 13.7 56 53 A E H 4 S+ 0 0 76 -21,-0.3 4,-0.3 1,-0.2 -1,-0.2 0.883 109.6 43.3 -64.1 -38.8 58.9 10.1 16.3 57 54 A A H >4>S+ 0 0 0 -3,-0.5 5,-1.6 -22,-0.3 3,-1.3 0.825 104.3 63.6 -76.5 -33.1 55.1 10.1 17.2 58 55 A R H ><5S+ 0 0 93 -4,-2.1 3,-1.4 1,-0.3 -1,-0.2 0.839 92.7 65.5 -59.3 -32.1 54.9 6.2 17.1 59 56 A A T 3<5S+ 0 0 89 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.796 99.4 51.6 -60.5 -28.9 57.3 6.2 20.0 60 57 A F T < 5S- 0 0 113 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.2 0.556 127.8-100.4 -83.6 -9.3 54.6 7.9 22.1 61 58 A G T < 5 + 0 0 35 -3,-1.4 2,-0.2 -4,-0.5 -3,-0.2 0.523 68.7 154.5 102.0 8.8 52.1 5.2 21.1 62 59 A V < + 0 0 3 -5,-1.6 -1,-0.3 -8,-0.1 2,-0.3 -0.521 18.8 177.5 -70.7 133.1 50.3 7.2 18.3 63 60 A T > - 0 0 69 -2,-0.2 3,-1.2 -11,-0.1 -13,-0.2 -0.908 33.8 -87.2-135.5 162.4 48.8 4.9 15.7 64 61 A R T 3 S+ 0 0 155 -2,-0.3 -13,-0.2 1,-0.2 3,-0.1 -0.299 111.0 31.0 -60.6 151.4 46.6 5.0 12.6 65 62 A S T 3 S+ 0 0 98 -15,-3.1 -1,-0.2 1,-0.3 2,-0.1 0.162 91.3 127.8 81.8 -17.2 42.9 4.9 13.1 66 63 A M < - 0 0 41 -3,-1.2 -16,-2.5 -16,-0.1 -1,-0.3 -0.439 67.1-114.0 -69.8 139.6 43.4 6.8 16.3 67 64 A W B >> -I 49 0B 88 -18,-0.2 4,-2.4 1,-0.1 3,-0.9 -0.588 21.2-126.3 -73.2 138.3 41.4 10.0 16.8 68 65 A A H 3> S+ 0 0 1 -20,-3.1 4,-2.0 1,-0.3 -21,-0.2 0.836 110.2 57.1 -55.5 -36.3 43.6 13.1 16.9 69 66 A D H 3> S+ 0 0 81 -23,-2.6 4,-0.5 -21,-0.2 -1,-0.3 0.868 110.9 43.4 -62.6 -35.9 42.1 14.2 20.2 70 67 A D H X> S+ 0 0 57 -3,-0.9 4,-0.9 -24,-0.4 3,-0.6 0.852 109.8 55.5 -78.1 -36.1 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,-0.5 0.864 101.5 59.2 -62.5 -37.1 46.5 10.9 20.1 72 69 A K H 3< S+ 0 0 78 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.772 97.4 61.0 -62.6 -27.0 47.1 14.3 21.8 73 70 A K H << S+ 0 0 152 -3,-0.6 -1,-0.2 -4,-0.5 -2,-0.2 0.860 112.9 36.0 -68.3 -35.2 46.6 12.6 25.1 74 71 A L H << S+ 0 0 84 -4,-0.9 -2,-0.2 -3,-0.5 -1,-0.2 0.785 134.8 25.2 -83.9 -31.4 49.6 10.3 24.5 75 72 A C >< - 0 0 1 -4,-2.3 3,-2.0 -5,-0.1 -1,-0.2 -0.746 64.6-179.1-140.8 84.6 51.6 13.0 22.7 76 73 A P T 3 S+ 0 0 86 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.755 86.0 49.8 -59.3 -29.5 50.7 16.5 23.7 77 74 A D T 3 S+ 0 0 131 2,-0.1 -5,-0.1 -40,-0.0 -2,-0.0 0.294 79.5 140.6 -94.6 8.9 53.2 18.1 21.3 78 75 A L < - 0 0 2 -3,-2.0 2,-0.3 -6,-0.1 -41,-0.2 -0.267 43.5-143.7 -52.8 129.3 52.0 16.0 18.3 79 76 A L E -g 37 0B 60 -43,-2.7 -41,-1.9 -47,-0.1 2,-0.4 -0.731 15.3-153.4 -96.7 150.3 52.0 18.1 15.1 80 77 A L E -g 38 0B 49 -2,-0.3 2,-0.4 -43,-0.2 -41,-0.2 -0.955 16.4-167.5-130.2 141.7 49.2 17.6 12.5 81 78 A A E -g 39 0B 11 -43,-2.1 -41,-2.6 -2,-0.4 2,-0.4 -0.993 23.5-137.6-120.9 135.1 48.8 18.0 8.8 82 79 A Q E -g 40 0B 96 -2,-0.4 -41,-0.2 -43,-0.2 2,-0.1 -0.740 16.6-116.4 -96.0 138.1 45.3 17.8 7.3 83 80 A V - 0 0 4 -43,-2.6 -41,-0.3 -2,-0.4 9,-0.1 -0.450 45.3 -97.3 -63.3 138.3 44.3 16.0 4.1 84 81 A R - 0 0 137 7,-0.4 7,-2.9 -2,-0.1 2,-0.5 -0.298 37.5-147.6 -57.1 139.2 43.0 18.4 1.5 85 82 A E E +J 90 0C 95 5,-0.2 2,-0.4 -3,-0.1 5,-0.2 -0.965 21.3 171.2-115.2 128.8 39.2 18.6 1.4 86 83 A S E > -J 89 0C 23 3,-2.9 3,-1.8 -2,-0.5 260,-0.1 -1.000 66.1 -0.1-137.6 137.1 37.4 19.3 -1.9 87 84 A R T 3 S- 0 0 87 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.828 131.7 -55.6 55.9 33.3 33.7 19.2 -2.7 88 85 A G T 3 S+ 0 0 37 1,-0.2 2,-0.3 254,-0.0 -1,-0.3 0.516 120.7 88.4 82.4 6.4 33.0 18.2 0.9 89 86 A K E < S-J 86 0C 13 -3,-1.8 -3,-2.9 253,-0.1 -1,-0.2 -0.936 84.8 -88.2-137.0 158.5 35.3 15.1 0.9 90 87 A A E -J 85 0C 11 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.362 39.8-156.0 -59.0 138.4 38.9 14.1 1.5 91 88 A N - 0 0 4 -7,-2.9 -7,-0.4 1,-0.1 3,-0.4 -0.979 13.9-172.2-125.7 121.2 41.0 14.4 -1.6 92 89 A L >> + 0 0 47 -2,-0.5 4,-1.9 1,-0.2 3,-0.9 0.213 48.4 117.7 -98.9 15.4 44.1 12.3 -1.9 93 90 A T H 3> S+ 0 0 28 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.843 70.8 57.3 -52.6 -43.0 45.6 13.9 -5.1 94 91 A K H 3> S+ 0 0 66 -3,-0.4 4,-1.8 1,-0.2 -1,-0.3 0.868 110.6 44.2 -57.9 -38.0 48.8 15.2 -3.5 95 92 A Y H <> S+ 0 0 2 -3,-0.9 4,-1.9 2,-0.2 -1,-0.2 0.844 111.3 52.4 -79.8 -34.1 49.7 11.7 -2.4 96 93 A R H X S+ 0 0 72 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.900 112.1 46.7 -64.6 -41.3 48.8 10.0 -5.7 97 94 A E H X S+ 0 0 109 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.890 110.8 51.3 -68.9 -39.5 51.0 12.5 -7.5 98 95 A A H X S+ 0 0 2 -4,-1.8 4,-1.5 -5,-0.2 -1,-0.2 0.867 107.9 54.6 -62.5 -36.4 53.8 12.0 -5.0 99 96 A S H X S+ 0 0 3 -4,-1.9 4,-2.8 1,-0.2 5,-0.2 0.923 103.5 54.2 -62.2 -46.4 53.4 8.3 -5.7 100 97 A V H X S+ 0 0 70 -4,-2.0 4,-2.5 1,-0.2 5,-0.3 0.904 103.2 58.3 -53.7 -43.5 53.9 8.8 -9.4 101 98 A E H X S+ 0 0 66 -4,-1.8 4,-1.1 1,-0.2 -1,-0.2 0.927 112.3 38.8 -50.3 -51.2 57.2 10.6 -8.6 102 99 A V H X S+ 0 0 3 -4,-1.5 4,-2.5 1,-0.2 3,-0.2 0.915 114.0 53.5 -70.2 -44.6 58.6 7.6 -6.9 103 100 A M H X S+ 0 0 6 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.867 106.8 52.3 -60.1 -39.6 57.1 5.0 -9.3 104 101 A E H < S+ 0 0 122 -4,-2.5 4,-0.4 -5,-0.2 -1,-0.2 0.836 110.0 49.4 -69.7 -31.8 58.6 6.7 -12.3 105 102 A I H >X S+ 0 0 10 -4,-1.1 3,-1.7 -5,-0.3 4,-0.5 0.951 110.5 48.9 -67.8 -51.0 62.1 6.7 -10.7 106 103 A M H >X S+ 0 0 2 -4,-2.5 3,-1.5 1,-0.3 4,-1.4 0.866 102.0 65.3 -55.9 -36.3 61.8 3.0 -9.8 107 104 A S H 3< S+ 0 0 37 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.703 89.6 66.3 -62.1 -20.4 60.8 2.3 -13.4 108 105 A R H <4 S+ 0 0 146 -3,-1.7 -1,-0.3 -4,-0.4 -2,-0.2 0.806 105.6 42.3 -69.9 -28.4 64.2 3.4 -14.6 109 106 A F H << S- 0 0 60 -3,-1.5 2,-0.3 -4,-0.5 -2,-0.2 0.822 129.6 -29.4 -88.7 -35.2 65.8 0.5 -12.9 110 107 A A S < S- 0 0 19 -4,-1.4 -1,-0.3 16,-0.0 2,-0.2 -0.984 76.1 -66.3-170.2 169.1 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 -0.625 46.2-149.5 -88.6 138.0 61.5 10.7 0.4 210 211 A Q + 0 0 65 -2,-0.3 -192,-2.2 -192,-0.2 2,-0.3 -0.721 20.1 175.6-100.7 154.7 63.1 7.8 2.4 211 212 A C E -B 17 0A 2 -2,-0.3 2,-0.3 -194,-0.3 -194,-0.3 -0.944 25.0-128.1-149.9 167.7 62.0 4.2 2.1 212 213 A S E -B 16 0A 0 -196,-3.0 -196,-3.0 -2,-0.3 2,-0.3 -0.782 25.4-166.3-112.9 164.9 62.7 0.6 3.2 213 214 A A E -Bf 15 234A 0 20,-1.4 22,-2.5 -2,-0.3 2,-0.4 -0.998 14.9-148.1-151.8 150.4 63.1 -2.4 1.0 214 215 A G E -Bf 14 235A 0 -200,-1.9 -200,-2.1 -2,-0.3 2,-0.5 -0.958 11.7-163.4-116.3 140.4 63.2 -6.2 1.1 215 216 A I E +Bf 13 236A 0 20,-2.6 22,-2.5 -2,-0.4 2,-0.2 -0.985 33.1 117.6-124.4 121.6 65.3 -8.3 -1.2 216 217 A S E S-B 12 0A 0 -204,-2.7 -204,-3.1 -2,-0.5 22,-0.1 -0.759 72.5 -77.2-155.2-157.0 64.6 -12.0 -1.7 217 218 A H S S+ 0 0 2 20,-0.3 -207,-0.4 -206,-0.2 2,-0.3 0.487 104.6 18.2 -99.1 -5.0 63.6 -14.7 -4.2 218 219 A N S > S- 0 0 1 -206,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.960 82.3 -97.9-156.3 173.2 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 0.882 116.1 51.3 -66.1 -41.9 57.2 -11.3 -3.5 220 221 A V H > S+ 0 0 2 2,-0.2 4,-2.4 1,-0.2 35,-0.2 0.930 115.1 41.5 -64.0 -46.1 56.2 -12.7 -0.1 221 222 A L H > S+ 0 0 1 2,-0.2 4,-3.0 1,-0.2 -2,-0.2 0.892 114.0 53.4 -68.1 -39.4 59.7 -13.0 1.3 222 223 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -208,-0.3 0.918 111.7 46.1 -58.4 -45.1 60.6 -9.6 -0.2 223 224 A K H X S+ 0 0 58 -4,-2.6 4,-1.3 2,-0.2 -2,-0.2 0.923 113.8 47.2 -64.0 -47.6 57.6 -8.1 1.6 224 225 A L H < S+ 0 0 21 -4,-2.4 3,-0.4 1,-0.2 4,-0.4 0.929 112.4 50.9 -59.7 -45.6 58.4 -9.8 4.9 225 226 A A H >X S+ 0 0 0 -4,-3.0 3,-1.7 1,-0.2 4,-0.5 0.895 102.1 60.9 -59.3 -43.9 62.0 -8.8 4.6 226 227 A C H >< S+ 0 0 0 -4,-2.2 3,-0.7 1,-0.3 -1,-0.2 0.872 104.3 49.1 -52.7 -41.0 61.1 -5.1 4.0 227 228 A G G >< S+ 0 0 50 -4,-1.3 3,-0.5 -3,-0.4 -1,-0.3 0.529 91.5 80.3 -80.1 -5.1 59.3 -4.9 7.4 228 229 A L G <4 S+ 0 0 55 -3,-1.7 -1,-0.2 -4,-0.4 -2,-0.2 0.798 104.8 24.4 -75.5 -28.4 62.1 -6.4 9.4 229 230 A N G << S- 0 0 40 -3,-0.7 4,-0.3 -4,-0.5 -1,-0.2 -0.500 91.3-162.0-138.8 68.2 64.2 -3.2 9.6 230 231 A K < + 0 0 63 -3,-0.5 2,-0.1 2,-0.1 4,-0.1 -0.729 47.0 35.2 -98.3 151.8 62.1 -0.1 9.2 231 232 A P S S- 0 0 44 0, 0.0 -19,-0.1 0, 0.0 3,-0.1 0.659 121.2 -10.0-100.7 178.1 62.6 2.7 8.5 232 233 A N S S+ 0 0 39 1,-0.2 2,-0.3 -2,-0.1 -20,-0.2 0.752 107.5 97.9 60.2 29.2 65.2 3.9 6.0 233 234 A R - 0 0 72 -4,-0.3 -20,-1.4 -7,-0.2 2,-0.4 -0.943 59.4-140.6-140.1 161.8 66.9 0.4 5.8 234 235 A Q E -ef 148 213A 0 -87,-2.6 -85,-2.7 -2,-0.3 2,-0.4 -0.961 12.3-153.6-126.9 149.2 66.8 -2.6 3.5 235 236 A T E -ef 149 214A 0 -22,-2.5 -20,-2.6 -2,-0.4 2,-0.5 -0.964 5.0-150.5-127.5 134.3 66.9 -6.3 4.4 236 237 A L E -ef 150 215A 1 -87,-3.2 -85,-2.1 -2,-0.4 2,-0.6 -0.903 10.4-168.4-102.7 123.8 68.1 -9.3 2.5 237 238 A V - 0 0 0 -22,-2.5 -20,-0.3 -2,-0.5 -12,-0.1 -0.925 11.3-159.9-114.4 106.3 66.3 -12.6 3.2 238 239 A S > - 0 0 9 -2,-0.6 3,-0.5 -87,-0.3 4,-0.5 -0.324 30.8-112.2 -80.1 164.3 68.1 -15.6 1.7 239 240 A H G > S+ 0 0 45 1,-0.2 3,-1.2 2,-0.2 -1,-0.1 0.894 118.9 56.6 -59.9 -39.0 66.6 -19.0 1.0 240 241 A G G 3 S+ 0 0 60 1,-0.3 4,-0.4 2,-0.1 -1,-0.2 0.765 99.2 58.9 -65.3 -26.8 68.9 -20.4 3.7 241 242 A S G <> S+ 0 0 15 -3,-0.5 4,-2.3 1,-0.2 -1,-0.3 0.634 84.1 87.5 -77.4 -13.0 67.5 -18.0 6.4 242 243 A V H <> S+ 0 0 4 -3,-1.2 4,-3.3 -4,-0.5 5,-0.3 0.895 79.5 54.0 -59.1 -50.7 64.0 -19.3 5.9 243 244 A P H > S+ 0 0 90 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.921 116.6 37.6 -53.0 -50.0 63.9 -22.2 8.4 244 245 A Q H > S+ 0 0 145 -4,-0.4 4,-0.5 2,-0.2 -2,-0.2 0.892 117.6 51.5 -69.5 -39.8 65.0 -20.1 11.4 245 246 A L H >< S+ 0 0 18 -4,-2.3 3,-0.7 1,-0.2 -1,-0.2 0.924 115.2 41.3 -60.3 -46.2 63.0 -17.0 10.3 246 247 A F H >< S+ 0 0 2 -4,-3.3 29,-2.3 1,-0.2 3,-0.7 0.659 95.4 81.3 -78.1 -17.0 59.8 -19.0 9.9 247 248 A S H 3< S+ 0 0 59 -4,-1.1 -1,-0.2 -5,-0.3 -2,-0.2 0.752 111.7 19.5 -65.0 -25.1 60.3 -21.1 13.1 248 249 A Q T << S+ 0 0 150 -3,-0.7 -1,-0.3 -4,-0.5 -2,-0.2 0.172 95.9 120.6-126.2 15.2 59.0 -18.3 15.3 249 250 A M < - 0 0 23 -3,-0.7 25,-2.5 -4,-0.1 26,-0.2 -0.733 64.9-126.6 -88.3 112.5 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 -0.320 19.3-124.9 -55.4 137.9 53.4 -16.0 13.5 251 252 A I G > S+ 0 0 1 21,-1.9 3,-1.7 1,-0.3 6,-0.2 0.837 106.1 65.7 -56.2 -35.5 51.4 -17.2 10.5 252 253 A R G 3 S+ 0 0 149 1,-0.3 -1,-0.3 20,-0.2 4,-0.1 0.631 87.0 71.4 -64.3 -14.3 49.5 -13.9 10.3 253 254 A K G < S+ 0 0 112 -3,-2.0 2,-0.3 4,-0.1 -1,-0.3 0.693 79.2 90.1 -76.9 -18.9 52.7 -12.0 9.4 254 255 A I S X S- 0 0 3 -3,-1.7 3,-2.4 -4,-0.3 4,-0.2 -0.633 94.1 -97.2 -84.4 134.9 52.8 -13.5 5.9 255 256 A R T 3 S+ 0 0 94 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.1 -0.268 109.7 16.4 -56.2 125.5 51.0 -11.7 3.1 256 257 A S T 3 S+ 0 0 76 -4,-0.1 3,-0.3 -3,-0.0 -1,-0.3 0.144 111.5 79.5 96.7 -12.5 47.5 -13.1 2.5 257 258 A L < + 0 0 1 -3,-2.4 -2,-0.2 -6,-0.2 -3,-0.1 0.213 62.6 94.0-107.0 13.5 47.4 -14.9 5.8 258 259 A G S S+ 0 0 60 -4,-0.2 -1,-0.2 -5,-0.1 -6,-0.1 0.493 86.7 40.2 -84.7 -3.4 46.5 -11.9 8.0 259 260 A G S > S- 0 0 46 -3,-0.3 4,-1.9 0, 0.0 5,-0.1 0.026 117.1 -36.6-118.8-137.8 42.8 -12.6 7.9 260 261 A K H > S+ 0 0 192 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.866 128.8 53.4 -64.8 -41.1 40.3 -15.4 8.1 261 262 A L H > S+ 0 0 42 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.949 110.4 47.6 -58.8 -50.1 42.4 -18.0 6.1 262 263 A G H > S+ 0 0 1 -6,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.884 110.9 52.3 -57.6 -40.1 45.4 -17.5 8.4 263 264 A A H X S+ 0 0 57 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.871 110.1 48.1 -64.8 -37.2 43.1 -17.8 11.4 264 265 A S H X S+ 0 0 39 -4,-2.2 4,-3.3 2,-0.2 5,-0.5 0.883 106.9 55.7 -73.0 -38.2 41.7 -21.1 10.1 265 266 A V H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 6,-0.4 0.954 112.5 44.2 -54.0 -49.4 45.2 -22.4 9.4 266 267 A I H X>S+ 0 0 59 -4,-2.1 4,-1.3 -5,-0.2 5,-0.8 0.921 119.6 41.0 -60.0 -47.7 46.0 -21.8 13.0 267 268 A E H <5S+ 0 0 166 -4,-2.4 -2,-0.2 2,-0.2 -3,-0.2 0.929 118.3 42.6 -72.0 -48.2 42.7 -23.2 14.3 268 269 A I H <5S+ 0 0 86 -4,-3.3 -3,-0.2 1,-0.2 -2,-0.2 0.902 124.7 34.6 -67.0 -42.6 42.4 -26.3 12.1 269 270 A L H <5S- 0 0 25 -4,-1.9 -1,-0.2 -5,-0.5 -2,-0.2 0.652 99.6-131.8 -89.9 -16.1 46.0 -27.4 12.3 270 271 A G T <5 + 0 0 64 -4,-1.3 2,-0.2 -5,-0.3 -3,-0.2 0.889 62.7 124.9 66.2 41.0 46.6 -26.3 15.9 271 272 A I < - 0 0 11 -5,-0.8 -1,-0.2 -6,-0.4 -2,-0.1 -0.765 46.7-164.1-124.9 171.3 49.8 -24.4 15.1 272 273 A E + 0 0 119 -2,-0.2 -21,-1.9 1,-0.2 2,-0.3 0.653 65.8 59.2-123.8 -35.0 51.2 -20.9 15.5 273 274 A Y B > S-K 250 0D 78 -23,-0.2 3,-0.9 -26,-0.1 4,-0.4 -0.742 73.7-124.0-112.1 151.6 54.2 -20.4 13.3 274 275 A M G > S+ 0 0 0 -25,-2.5 3,-1.7 -2,-0.3 4,-0.2 0.857 109.1 60.5 -54.7 -40.5 54.8 -20.6 9.5 275 276 A G G > S+ 0 0 17 -29,-2.3 3,-2.0 1,-0.3 -1,-0.2 0.825 90.5 68.1 -59.9 -34.1 57.6 -23.2 9.9 276 277 A E G X S+ 0 0 76 -3,-0.9 3,-1.1 -30,-0.3 -1,-0.3 0.670 84.5 74.7 -61.1 -16.9 55.2 -25.6 11.6 277 278 A L G X S+ 0 0 0 -3,-1.7 3,-1.6 -4,-0.4 -1,-0.3 0.735 75.8 77.0 -68.0 -22.1 53.4 -25.9 8.2 278 279 A T G < S+ 0 0 43 -3,-2.0 -1,-0.2 1,-0.3 -2,-0.1 0.678 81.3 69.5 -64.2 -15.9 56.3 -28.1 6.8 279 280 A Q G < S+ 0 0 152 -3,-1.1 2,-0.4 -4,-0.2 -1,-0.3 0.328 86.3 80.3 -88.9 8.9 55.0 -31.1 8.7 280 281 A F S < S- 0 0 41 -3,-1.6 2,-0.0 18,-0.1 -3,-0.0 -0.926 80.3-121.2-115.6 141.4 51.9 -31.4 6.5 281 282 A T > - 0 0 75 -2,-0.4 4,-2.0 1,-0.1 5,-0.2 -0.300 28.5-111.4 -70.4 162.5 51.7 -33.0 3.1 282 283 A E H > S+ 0 0 77 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.898 120.2 51.7 -62.4 -39.3 50.6 -31.0 0.1 283 284 A S H > S+ 0 0 85 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.896 106.9 53.1 -64.5 -40.9 47.4 -33.1 -0.1 284 285 A Q H > S+ 0 0 88 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.931 111.7 45.4 -57.8 -47.0 46.7 -32.6 3.6 285 286 A L H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 3,-0.3 0.915 111.8 51.5 -65.4 -43.5 46.9 -28.8 3.1 286 287 A Q H X S+ 0 0 54 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.850 105.5 57.4 -59.9 -35.4 44.8 -28.9 -0.0 287 288 A S H < S+ 0 0 89 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.865 115.2 35.1 -66.2 -36.0 42.1 -30.9 1.9 288 289 A H H < S+ 0 0 89 -4,-1.3 -2,-0.2 -3,-0.3 -1,-0.2 0.858 134.3 21.3 -83.4 -38.5 41.7 -28.2 4.5 289 290 A F H < S- 0 0 15 -4,-2.5 4,-0.5 1,-0.3 -3,-0.2 0.322 112.1 -95.5-122.4 5.1 42.2 -25.0 2.5 290 291 A G X - 0 0 35 -4,-1.9 4,-2.7 -5,-0.3 -1,-0.3 -0.076 42.9 -73.2 97.3 162.0 41.5 -25.9 -1.1 291 292 A E H > S+ 0 0 157 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.910 129.0 40.5 -58.9 -47.6 43.6 -27.0 -4.1 292 293 A K H > S+ 0 0 183 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.963 119.7 42.5 -69.6 -53.5 45.1 -23.5 -4.7 293 294 A N H > S+ 0 0 65 -4,-0.5 4,-3.0 1,-0.2 5,-0.2 0.880 113.2 54.2 -60.0 -41.0 45.7 -22.5 -1.1 294 295 A G H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.914 111.2 43.7 -61.6 -46.3 47.1 -25.9 -0.2 295 296 A S H X S+ 0 0 38 -4,-1.8 4,-2.1 -5,-0.3 5,-0.2 0.920 114.8 50.4 -63.8 -44.3 49.7 -25.9 -2.9 296 297 A W H X S+ 0 0 56 -4,-2.4 4,-3.1 1,-0.2 -2,-0.2 0.931 112.5 46.2 -60.1 -47.9 50.6 -22.3 -2.1 297 298 A L H X S+ 0 0 0 -4,-3.0 4,-2.2 2,-0.2 -1,-0.2 0.882 108.9 55.2 -63.1 -42.0 51.0 -23.0 1.6 298 299 A Y H < S+ 0 0 72 -4,-2.2 4,-0.2 -5,-0.2 -1,-0.2 0.935 117.5 35.5 -57.9 -47.5 53.0 -26.1 1.0 299 300 A A H ><>S+ 0 0 23 -4,-2.1 5,-2.5 1,-0.2 3,-1.3 0.905 114.8 56.4 -72.0 -42.5 55.5 -24.2 -1.1 300 301 A M H ><5S+ 0 0 0 -4,-3.1 3,-2.2 1,-0.3 -2,-0.2 0.855 98.8 57.9 -63.3 -39.0 55.4 -21.0 0.9 301 302 A C T 3<5S+ 0 0 4 -4,-2.2 -1,-0.3 1,-0.3 -23,-0.2 0.639 107.1 51.6 -69.0 -11.6 56.3 -22.5 4.3 302 303 A R T < 5S- 0 0 74 -3,-1.3 -1,-0.3 -4,-0.2 -2,-0.2 0.274 128.2-101.0-102.6 6.6 59.5 -23.7 2.5 303 304 A G T < 5S+ 0 0 1 -3,-2.2 2,-0.5 1,-0.2 -3,-0.2 0.640 82.9 128.8 85.8 17.0 60.2 -20.2 1.2 304 305 A I < + 0 0 19 -5,-2.5 2,-0.3 -8,-0.1 -1,-0.2 -0.910 20.4 150.1-114.1 128.2 58.9 -20.9 -2.3 305 306 A E - 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