==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA/INHIBITOR 05-FEB-12 4DL4 . COMPND 2 MOLECULE: DNA POLYMERASE ETA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.ZHAO,C.BIERTUMPFEL,M.GREGORY,Y.-J.HUA,F.HANAOKA,W.YANG . 429 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21650.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 294 68.5 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 . 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 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 140 32.6 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 4 0 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 1 A M 0 0 146 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 118.3 63.7 -30.5 -6.0 2 2 A A - 0 0 82 1,-0.1 301,-0.0 2,-0.1 0, 0.0 -0.433 360.0-164.6 -66.4 139.7 63.2 -26.9 -7.1 3 3 A T - 0 0 60 -2,-0.1 -1,-0.1 299,-0.0 0, 0.0 0.401 32.0-124.1-109.4 0.3 64.5 -24.4 -4.7 4 4 A G S S+ 0 0 5 1,-0.1 3,-0.2 299,-0.1 300,-0.2 0.870 74.2 125.2 57.6 39.3 62.8 -21.2 -5.9 5 5 A Q + 0 0 47 1,-0.1 -1,-0.1 298,-0.1 212,-0.1 0.093 35.0 105.1-110.9 19.3 66.1 -19.5 -6.3 6 6 A D S S+ 0 0 91 210,-0.1 2,-0.3 2,-0.0 -1,-0.1 0.798 75.4 42.7 -71.6 -33.3 65.5 -18.6 -10.0 7 7 A R - 0 0 25 209,-0.4 2,-0.5 -3,-0.2 181,-0.1 -0.753 63.9-138.8-117.1 159.5 64.7 -14.9 -9.6 8 8 A V + 0 0 1 -2,-0.3 113,-2.2 179,-0.1 114,-0.7 -0.981 33.1 177.9-112.5 118.2 65.9 -11.8 -7.8 9 9 A V E -AB 120 215A 0 206,-3.3 206,-2.9 -2,-0.5 2,-0.3 -0.959 10.0-168.1-124.4 139.4 63.0 -9.8 -6.6 10 10 A A E -AB 119 214A 0 109,-2.5 109,-2.7 -2,-0.4 2,-0.5 -0.939 9.9-157.1-124.1 148.0 62.8 -6.6 -4.6 11 11 A L E -AB 118 213A 0 202,-2.2 202,-2.2 -2,-0.3 2,-0.5 -0.989 11.4-164.9-122.0 120.0 60.1 -4.7 -2.8 12 12 A V E -AB 117 212A 1 105,-2.3 105,-1.7 -2,-0.5 2,-0.4 -0.924 8.7-179.0-107.6 125.7 60.6 -1.0 -2.2 13 13 A D E -AB 116 211A 18 198,-2.8 198,-2.8 -2,-0.5 103,-0.2 -0.983 25.6-123.5-130.0 126.4 58.3 0.7 0.3 14 14 A M E > - B 0 210A 3 101,-2.5 3,-0.5 -2,-0.4 2,-0.5 -0.318 30.5-114.1 -65.5 144.5 58.4 4.4 1.2 15 15 A D T 3 S- 0 0 4 194,-2.0 5,-0.3 1,-0.3 194,-0.2 -0.669 86.9 -25.2 -83.0 122.0 58.8 5.2 4.9 16 16 A C T 3> S- 0 0 17 -2,-0.5 4,-2.1 3,-0.1 3,-0.4 0.898 86.0-168.2 45.3 56.2 55.7 6.9 6.5 17 17 A F H <> S+ 0 0 8 -3,-0.5 4,-1.9 1,-0.3 5,-0.1 0.828 71.8 45.6 -60.6 -47.3 54.9 8.1 3.0 18 18 A F H > S+ 0 0 31 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.887 114.0 52.9 -61.8 -38.2 52.1 10.7 3.4 19 19 A V H > S+ 0 0 1 -3,-0.4 4,-2.7 1,-0.2 -2,-0.2 0.925 107.2 50.8 -60.8 -46.8 54.1 12.3 6.3 20 20 A Q H X S+ 0 0 18 -4,-2.1 4,-2.4 -5,-0.3 -1,-0.2 0.868 107.3 54.6 -58.9 -38.3 57.2 12.6 4.1 21 21 A V H X S+ 0 0 5 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.936 113.3 41.2 -61.4 -46.4 55.1 14.3 1.4 22 22 A E H X S+ 0 0 14 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.849 113.5 54.3 -68.3 -35.3 53.9 16.9 3.8 23 23 A Q H < S+ 0 0 24 -4,-2.7 7,-0.3 2,-0.2 6,-0.2 0.863 106.2 51.4 -69.2 -36.4 57.3 17.2 5.5 24 24 A R H < S+ 0 0 87 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.929 114.4 43.8 -62.7 -44.3 59.0 17.9 2.1 25 25 A Q H < S+ 0 0 125 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.854 122.0 38.8 -68.9 -37.0 56.4 20.7 1.4 26 26 A N >< - 0 0 63 -4,-2.4 3,-2.6 1,-0.1 4,-0.4 -0.846 64.6-168.3-122.7 95.4 56.6 22.1 5.0 27 27 A P G > S+ 0 0 77 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 0.709 83.7 72.5 -54.0 -25.5 60.1 22.2 6.5 28 28 A H G 3 S+ 0 0 143 1,-0.2 -5,-0.1 3,-0.0 -2,-0.0 0.717 95.6 52.6 -62.4 -21.3 58.6 23.0 9.9 29 29 A L G X S+ 0 0 15 -3,-2.6 3,-1.1 -6,-0.2 -1,-0.2 0.629 83.3 114.6 -89.6 -14.8 57.4 19.4 10.1 30 30 A R T < S+ 0 0 111 -3,-1.1 -10,-0.0 -4,-0.4 -6,-0.0 -0.279 83.6 5.3 -64.5 138.5 60.7 17.8 9.4 31 31 A N T 3 S+ 0 0 139 1,-0.2 -1,-0.2 3,-0.0 -2,-0.0 0.818 108.6 108.3 61.2 33.2 62.3 15.7 12.1 32 32 A K S < S- 0 0 92 -3,-1.1 2,-0.6 44,-0.0 22,-0.3 -0.936 82.4 -91.6-134.4 159.2 59.3 16.0 14.4 33 33 A P + 0 0 22 0, 0.0 43,-2.5 0, 0.0 2,-0.3 -0.615 66.2 150.9 -67.7 114.5 56.5 13.8 15.7 34 34 A C E -g 76 0B 3 -2,-0.6 17,-2.9 41,-0.2 2,-0.3 -0.970 28.6-164.7-147.1 162.3 53.8 14.4 13.2 35 35 A A E -gH 77 50B 1 41,-2.1 43,-2.1 -2,-0.3 2,-0.5 -0.959 21.0-124.9-142.9 158.0 50.8 12.7 11.5 36 36 A V E -gH 78 49B 1 13,-2.3 12,-3.0 -2,-0.3 13,-1.2 -0.928 34.1-177.2-105.9 132.2 48.5 13.2 8.5 37 37 A V E -gH 79 47B 0 41,-2.4 43,-2.7 -2,-0.5 2,-0.4 -0.854 16.7-148.0-126.4 159.8 44.8 13.4 9.2 38 38 A Q E S+ H 0 46B 58 8,-1.7 8,-2.1 -2,-0.3 43,-0.1 -0.987 74.5 18.9-128.4 144.7 41.5 13.7 7.3 39 39 A Y > - 0 0 73 -2,-0.4 3,-1.1 41,-0.3 -1,-0.2 0.998 65.0-165.8 64.6 70.7 38.3 15.4 8.3 40 40 A K T 3> S+ 0 0 80 1,-0.2 4,-0.7 -3,-0.2 -1,-0.1 0.744 73.0 74.3 -58.9 -29.5 39.5 17.7 11.0 41 41 A S T 34 S+ 0 0 121 3,-0.2 2,-0.7 2,-0.1 -1,-0.2 0.802 85.6 66.8 -60.4 -33.6 36.1 18.5 12.4 42 42 A W T X4 S- 0 0 166 -3,-1.1 3,-2.4 1,-0.2 24,-0.1 -0.815 129.4 -31.4-100.7 111.8 35.5 15.2 14.1 43 43 A K T 34 S- 0 0 84 -2,-0.7 23,-2.5 1,-0.3 24,-0.4 0.805 117.3 -59.8 53.3 33.3 37.7 14.3 17.1 44 44 A G T 3< S- 0 0 7 -4,-0.7 -1,-0.3 21,-0.2 -3,-0.2 0.371 101.6 -68.2 80.9 -5.3 40.5 16.3 15.5 45 45 A G < - 0 0 0 -3,-2.4 20,-3.0 -6,-0.2 2,-0.5 -0.074 58.2 -75.6 104.7 154.3 40.5 14.0 12.4 46 46 A G E -HI 38 64B 14 -8,-2.1 -8,-1.7 18,-0.2 2,-0.3 -0.754 45.3-128.0 -88.2 128.7 41.3 10.4 11.7 47 47 A I E +H 37 0B 5 16,-2.5 -10,-0.2 -2,-0.5 3,-0.1 -0.583 32.9 167.9 -77.1 130.8 45.0 9.7 11.4 48 48 A I E + 0 0 36 -12,-3.0 2,-0.3 -2,-0.3 -11,-0.2 0.538 66.7 27.7-118.1 -11.4 46.2 7.9 8.3 49 49 A A E -H 36 0B 4 -13,-1.2 -13,-2.3 11,-0.1 2,-0.4 -0.985 62.5-165.0-151.7 145.1 50.0 8.2 8.5 50 50 A V E -H 35 0B 4 -2,-0.3 -15,-0.2 -15,-0.2 11,-0.1 -0.989 19.0-126.5-137.8 129.5 52.4 8.6 11.4 51 51 A S > - 0 0 1 -17,-2.9 4,-2.1 -2,-0.4 3,-0.3 -0.335 29.2-115.3 -70.5 155.0 56.1 9.7 11.5 52 52 A Y H > S+ 0 0 61 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.854 117.4 57.0 -61.1 -33.9 58.6 7.5 13.3 53 53 A E H 4 S+ 0 0 79 -21,-0.3 4,-0.4 1,-0.2 -1,-0.2 0.894 110.2 44.8 -61.9 -39.6 59.2 10.1 15.9 54 54 A A H >4>S+ 0 0 0 -22,-0.3 5,-1.6 -3,-0.3 3,-1.2 0.820 105.1 61.9 -72.5 -31.9 55.4 10.1 16.7 55 55 A R H ><5S+ 0 0 94 -4,-2.1 3,-1.7 1,-0.3 -1,-0.2 0.826 92.2 66.2 -63.4 -30.3 55.4 6.3 16.6 56 56 A A T 3<5S+ 0 0 90 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.768 98.9 52.5 -61.9 -26.2 57.8 6.3 19.6 57 57 A F T < 5S- 0 0 114 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.461 126.8-101.5 -86.9 -3.8 55.0 7.9 21.7 58 58 A G T < 5 + 0 0 35 -3,-1.7 2,-0.3 1,-0.3 -3,-0.2 0.599 67.8 155.5 93.5 13.2 52.6 5.1 20.7 59 59 A V < - 0 0 4 -5,-1.6 -1,-0.3 -8,-0.1 2,-0.3 -0.583 19.9-177.6 -73.0 131.5 50.7 7.0 18.0 60 60 A T > - 0 0 58 -2,-0.3 3,-0.7 -11,-0.1 -13,-0.2 -0.835 40.4-104.1-129.1 169.0 49.2 4.7 15.5 61 61 A R T 3 S+ 0 0 158 -2,-0.3 -12,-0.1 1,-0.2 -14,-0.1 0.750 111.9 61.8 -60.5 -30.2 47.1 4.7 12.3 62 62 A S T 3 S+ 0 0 108 -16,-0.1 -1,-0.2 -14,-0.1 -15,-0.1 0.873 86.2 104.1 -65.6 -33.8 43.8 3.7 14.0 63 63 A M < - 0 0 41 -3,-0.7 -16,-2.5 -17,-0.1 2,-0.2 0.043 69.3-125.7 -66.3 151.3 43.7 6.8 16.3 64 64 A W B > -I 46 0B 99 -18,-0.2 4,-2.2 1,-0.1 3,-0.4 -0.609 33.1-119.3 -76.2 148.6 41.6 10.0 16.3 65 65 A A H > S+ 0 0 0 -20,-3.0 4,-2.2 -22,-0.3 -21,-0.2 0.893 113.4 57.5 -62.4 -39.4 43.9 13.0 16.4 66 66 A D H > S+ 0 0 81 -23,-2.5 4,-0.6 -21,-0.2 -1,-0.2 0.864 110.6 44.6 -58.3 -35.7 42.4 14.2 19.7 67 67 A D H >> S+ 0 0 50 -24,-0.4 4,-0.9 -3,-0.4 3,-0.7 0.874 109.6 54.1 -76.4 -38.9 43.4 10.8 21.2 68 68 A A H 3X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 3,-0.4 0.846 101.7 60.8 -62.0 -34.8 46.8 10.8 19.7 69 69 A K H 3< S+ 0 0 81 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.787 96.0 61.4 -62.6 -29.1 47.4 14.2 21.3 70 70 A K H << S+ 0 0 154 -3,-0.7 -1,-0.2 -4,-0.6 -2,-0.2 0.872 112.8 35.4 -66.7 -37.7 46.9 12.5 24.7 71 71 A L H < S+ 0 0 83 -4,-0.9 -2,-0.2 -3,-0.4 -1,-0.2 0.850 132.9 29.8 -79.2 -38.1 49.9 10.3 24.1 72 72 A C >< - 0 0 1 -4,-2.7 3,-1.9 -5,-0.1 -1,-0.2 -0.768 63.9-180.0-131.1 85.7 51.9 12.9 22.2 73 73 A P T 3 S+ 0 0 88 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.778 84.9 50.4 -56.3 -33.0 51.1 16.5 23.4 74 74 A D T 3 S+ 0 0 136 2,-0.1 2,-0.1 -40,-0.0 -5,-0.1 0.252 79.2 140.7 -92.7 13.6 53.6 18.0 20.9 75 75 A L < - 0 0 1 -3,-1.9 2,-0.3 -6,-0.1 -41,-0.2 -0.327 41.5-147.6 -60.4 128.7 52.2 16.1 17.9 76 76 A L E -g 34 0B 67 -43,-2.5 -41,-2.1 -47,-0.1 2,-0.4 -0.786 12.9-151.0 -97.6 145.6 52.1 18.2 14.7 77 77 A L E -g 35 0B 46 -2,-0.3 2,-0.4 -43,-0.2 -41,-0.2 -0.903 13.7-164.4-121.9 144.1 49.4 17.6 12.2 78 78 A A E -g 36 0B 10 -43,-2.1 -41,-2.4 -2,-0.4 2,-0.4 -0.995 22.5-136.2-121.9 133.7 49.0 17.9 8.4 79 79 A Q E -g 37 0B 122 -2,-0.4 -41,-0.2 -43,-0.2 2,-0.1 -0.737 13.2-122.5 -95.3 133.1 45.5 17.9 6.8 80 80 A V - 0 0 9 -43,-2.7 -41,-0.3 -2,-0.4 9,-0.1 -0.455 45.3 -96.9 -62.1 138.2 44.6 16.0 3.7 81 81 A R - 0 0 115 7,-0.5 7,-2.9 -2,-0.1 2,-0.5 -0.321 37.0-142.9 -60.1 139.2 43.1 18.4 1.1 82 82 A E E +J 87 0C 114 5,-0.2 2,-0.4 -3,-0.1 5,-0.2 -0.916 22.1 175.1-107.4 131.3 39.4 18.6 1.1 83 83 A S E > -J 86 0C 31 3,-3.1 3,-1.4 -2,-0.5 262,-0.1 -0.988 68.2 -9.3-138.3 128.2 37.5 19.0 -2.2 84 84 A R T 3 S- 0 0 69 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.852 129.0 -55.3 55.4 36.5 33.7 18.9 -2.7 85 85 A G T 3 S+ 0 0 31 1,-0.2 2,-0.3 256,-0.0 -1,-0.3 0.595 121.1 100.9 78.4 12.3 33.2 17.8 0.9 86 86 A K E < S-J 83 0C 19 -3,-1.4 -3,-3.1 255,-0.1 -1,-0.2 -0.982 80.5-101.9-128.8 148.7 35.5 14.8 0.4 87 87 A A E -J 82 0C 11 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.324 36.8-153.1 -66.5 136.9 39.2 13.9 1.2 88 88 A N - 0 0 5 -7,-2.9 -7,-0.5 1,-0.1 3,-0.3 -0.969 15.8-172.4-121.0 120.7 41.3 14.3 -1.9 89 89 A L >> + 0 0 47 -2,-0.5 4,-1.8 1,-0.2 3,-0.9 0.187 48.5 118.5 -97.1 17.0 44.5 12.3 -2.3 90 90 A T H 3> S+ 0 0 35 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.871 70.3 56.1 -52.5 -46.4 45.8 13.9 -5.4 91 91 A K H 3> S+ 0 0 46 -3,-0.3 4,-1.7 1,-0.2 -1,-0.3 0.848 110.3 45.5 -56.7 -36.2 49.0 15.2 -3.8 92 92 A Y H <> S+ 0 0 2 -3,-0.9 4,-2.1 2,-0.2 -1,-0.2 0.824 110.1 52.6 -82.1 -31.7 50.0 11.7 -2.7 93 93 A R H X S+ 0 0 70 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.899 111.1 48.2 -66.9 -40.7 49.2 10.1 -6.0 94 94 A E H X S+ 0 0 100 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.902 111.0 49.9 -66.4 -40.4 51.4 12.6 -7.8 95 95 A A H X S+ 0 0 2 -4,-1.7 4,-1.6 -5,-0.2 -2,-0.2 0.899 108.7 54.2 -62.8 -40.4 54.2 12.1 -5.3 96 96 A S H X S+ 0 0 5 -4,-2.1 4,-2.8 1,-0.2 5,-0.2 0.930 104.4 53.8 -56.4 -48.7 53.8 8.3 -6.0 97 97 A V H X S+ 0 0 70 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.875 103.7 57.1 -56.3 -39.9 54.2 8.9 -9.7 98 98 A E H X S+ 0 0 69 -4,-1.7 4,-1.3 2,-0.2 -1,-0.2 0.934 112.0 41.4 -53.4 -50.3 57.5 10.7 -9.0 99 99 A V H X S+ 0 0 4 -4,-1.6 4,-2.2 2,-0.2 3,-0.2 0.935 113.3 51.6 -66.7 -48.9 58.9 7.7 -7.2 100 100 A M H X S+ 0 0 6 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.894 106.0 55.5 -56.8 -43.8 57.5 5.1 -9.7 101 101 A E H < S+ 0 0 116 -4,-2.4 4,-0.4 -5,-0.2 -1,-0.2 0.894 108.9 48.1 -58.0 -41.2 59.0 6.9 -12.6 102 102 A I H >< S+ 0 0 10 -4,-1.3 3,-1.3 -3,-0.2 4,-0.4 0.924 111.6 48.5 -64.8 -45.8 62.5 6.8 -11.0 103 103 A M H >X S+ 0 0 2 -4,-2.2 3,-2.1 1,-0.3 4,-1.2 0.901 101.8 63.4 -62.2 -37.4 62.2 3.1 -10.2 104 104 A S T 3< S+ 0 0 48 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.555 91.3 69.3 -64.2 -25.2 61.1 2.2 -13.8 105 105 A R T <4 S+ 0 0 143 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.792 104.6 39.8 -63.9 -28.9 64.5 3.5 -15.0 106 106 A F T <4 S- 0 0 63 -3,-2.1 2,-0.3 -4,-0.4 -2,-0.2 0.858 130.2 -27.0 -90.1 -38.5 66.2 0.5 -13.4 107 107 A A S < S- 0 0 19 -4,-1.2 -1,-0.3 16,-0.0 2,-0.3 -0.972 75.8 -69.0-165.4 171.1 63.7 -2.2 -14.2 108 108 A V - 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0 0 77 -7,-0.2 -20,-1.4 2,-0.0 2,-0.3 -0.953 59.6-140.4-140.6 159.9 67.3 0.4 5.5 233 235 A Q E -ef 145 212A 0 -89,-2.5 -87,-2.8 -2,-0.3 2,-0.4 -0.939 12.5-153.5-124.0 152.1 67.2 -2.6 3.2 234 236 A T E -ef 146 213A 0 -22,-2.3 -20,-2.3 -2,-0.3 2,-0.6 -0.980 5.1-149.7-132.8 129.2 67.2 -6.3 4.1 235 237 A L E -ef 147 214A 1 -89,-3.2 -87,-2.0 -2,-0.4 2,-0.7 -0.848 10.4-167.2 -99.8 120.7 68.4 -9.3 2.1 236 238 A V - 0 0 1 -22,-2.6 -20,-0.3 -2,-0.6 -12,-0.1 -0.898 10.7-161.6-111.8 104.3 66.6 -12.6 2.8 237 239 A S >> - 0 0 10 -2,-0.7 3,-0.5 -89,-0.3 4,-0.5 -0.332 31.8-111.4 -80.5 163.5 68.5 -15.6 1.4 238 240 A H G >4 S+ 0 0 44 1,-0.2 3,-1.1 2,-0.2 -1,-0.1 0.886 118.5 56.4 -59.2 -37.9 67.0 -19.0 0.7 239 241 A G G 34 S+ 0 0 58 1,-0.2 4,-0.4 2,-0.1 -1,-0.2 0.785 98.9 58.8 -66.3 -28.8 69.1 -20.3 3.5 240 242 A S G <> S+ 0 0 14 -3,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.644 86.0 84.9 -75.5 -13.2 67.8 -17.9 6.1 241 243 A V H S+ 0 0 89 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.921 116.4 37.0 -52.2 -50.8 64.2 -22.2 8.0 243 245 A Q H > S+ 0 0 169 -4,-0.4 4,-0.6 2,-0.2 -2,-0.2 0.902 117.9 52.3 -68.5 -39.0 65.3 -20.2 11.1 244 246 A L H >< S+ 0 0 20 -4,-2.2 3,-0.8 1,-0.2 -1,-0.2 0.924 113.3 42.6 -61.8 -46.4 63.3 -17.1 10.0 245 247 A F H >< S+ 0 0 2 -4,-3.6 29,-2.3 1,-0.2 3,-0.9 0.669 95.2 81.3 -75.5 -16.8 60.0 -19.1 9.6 246 248 A S H 3< S+ 0 0 58 -4,-1.0 -1,-0.2 -5,-0.3 -2,-0.2 0.778 110.7 20.4 -63.2 -27.7 60.5 -21.1 12.7 247 249 A Q T << S+ 0 0 149 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.120 95.7 120.2-125.9 19.8 59.2 -18.3 14.9 248 250 A M < - 0 0 23 -3,-0.9 25,-3.0 -5,-0.1 26,-0.2 -0.782 63.3-126.9 -94.9 112.3 57.3 -16.3 12.3 249 251 A P B > -K 272 0D 33 0, 0.0 3,-1.8 0, 0.0 4,-0.3 -0.269 17.7-125.4 -54.9 137.5 53.5 -15.9 13.0 250 252 A I G > S+ 0 0 1 21,-1.8 3,-1.9 1,-0.3 6,-0.2 0.860 106.9 64.2 -51.4 -41.4 51.4 -17.1 10.1 251 253 A R G 3 S+ 0 0 152 1,-0.3 -1,-0.3 20,-0.2 5,-0.1 0.644 89.0 71.0 -63.2 -17.5 49.5 -13.8 9.9 252 254 A K G < S+ 0 0 115 -3,-1.8 -1,-0.3 4,-0.1 2,-0.2 0.733 79.4 89.3 -68.2 -27.5 52.8 -12.1 9.0 253 255 A I S X S- 0 0 4 -3,-1.9 3,-2.5 -4,-0.3 4,-0.2 -0.551 94.3 -95.5 -78.5 140.2 52.8 -13.6 5.5 254 256 A R T 3 S+ 0 0 80 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 -0.267 109.9 14.9 -62.5 135.1 51.1 -11.7 2.8 255 257 A S T 3 S+ 0 0 76 -4,-0.1 3,-0.3 -3,-0.1 -1,-0.3 0.282 110.1 83.9 84.3 -5.6 47.6 -12.9 2.1 256 258 A L < + 0 0 1 -3,-2.5 -2,-0.2 -6,-0.2 -3,-0.1 0.304 60.3 93.2-104.2 6.4 47.5 -14.8 5.4 257 259 A G S S+ 0 0 62 -4,-0.2 -1,-0.2 4,-0.1 -6,-0.1 0.490 86.5 43.7 -79.7 -2.7 46.6 -11.8 7.6 258 260 A G S > S- 0 0 47 -3,-0.3 4,-1.8 0, 0.0 5,-0.1 0.071 116.7 -41.1-117.0-138.4 42.8 -12.5 7.4 259 261 A K H > S+ 0 0 190 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.856 128.8 55.1 -67.4 -39.3 40.4 -15.4 7.6 260 262 A L H > S+ 0 0 43 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.942 109.3 47.4 -59.3 -48.6 42.5 -17.8 5.6 261 263 A G H > S+ 0 0 1 1,-0.2 4,-2.0 -6,-0.2 -1,-0.2 0.892 111.7 51.3 -59.2 -41.1 45.4 -17.3 8.0 262 264 A A H X S+ 0 0 54 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.874 109.0 51.0 -62.8 -38.9 43.1 -17.8 10.9 263 265 A S H X S+ 0 0 33 -4,-2.4 4,-2.8 2,-0.2 5,-0.4 0.857 106.6 54.1 -69.7 -36.2 41.8 -21.0 9.4 264 266 A V H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 6,-0.4 0.949 113.1 43.2 -60.6 -48.5 45.3 -22.4 8.9 265 267 A I H X>S+ 0 0 60 -4,-2.0 4,-1.4 3,-0.2 5,-0.7 0.926 118.9 43.6 -61.9 -45.7 46.0 -21.7 12.6 266 268 A E H <5S+ 0 0 168 -4,-2.5 -2,-0.2 2,-0.2 -3,-0.2 0.925 119.0 39.7 -70.3 -46.5 42.7 -23.1 13.8 267 269 A I H <5S+ 0 0 85 -4,-2.8 -3,-0.2 1,-0.2 -1,-0.2 0.894 124.9 35.4 -72.6 -41.3 42.5 -26.2 11.6 268 270 A L H <5S- 0 0 24 -4,-1.9 -1,-0.2 -5,-0.4 -2,-0.2 0.663 98.6-131.9 -90.4 -17.5 46.1 -27.3 11.8 269 271 A G T <5 + 0 0 64 -4,-1.4 2,-0.2 -5,-0.3 -3,-0.2 0.899 61.9 126.0 67.1 42.5 46.7 -26.2 15.4 270 272 A I < - 0 0 9 -5,-0.7 -1,-0.2 -6,-0.4 -2,-0.1 -0.776 45.7-165.8-124.8 171.0 49.9 -24.3 14.6 271 273 A E + 0 0 125 -2,-0.2 -21,-1.8 1,-0.2 2,-0.3 0.632 66.6 61.7-124.6 -33.2 51.3 -20.8 15.2 272 274 A Y B > S-K 249 0D 79 -23,-0.2 3,-0.9 -26,-0.1 4,-0.4 -0.761 74.0-125.9-113.2 148.9 54.4 -20.4 13.0 273 275 A M G > S+ 0 0 0 -25,-3.0 3,-1.5 -2,-0.3 4,-0.2 0.850 107.7 61.2 -56.9 -36.7 55.0 -20.5 9.2 274 276 A G G > S+ 0 0 15 -29,-2.3 3,-2.0 1,-0.3 -1,-0.3 0.833 89.5 67.4 -62.3 -35.8 57.7 -23.2 9.6 275 277 A E G X S+ 0 0 71 -3,-0.9 3,-1.4 -30,-0.3 4,-0.3 0.672 82.9 77.6 -60.6 -17.1 55.3 -25.7 11.2 276 278 A L G X S+ 0 0 0 -3,-1.5 3,-1.2 -4,-0.4 -1,-0.3 0.743 76.1 75.5 -63.3 -22.6 53.5 -25.9 7.8 277 279 A T G < S+ 0 0 47 -3,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.658 81.2 69.9 -65.4 -18.2 56.4 -28.1 6.5 278 280 A Q G < S+ 0 0 146 -3,-1.4 -1,-0.3 -4,-0.2 -2,-0.2 0.844 86.8 80.8 -63.7 -36.1 55.1 -31.1 8.4 279 281 A F S < S- 0 0 45 -3,-1.2 2,-0.1 -4,-0.3 3,-0.0 -0.438 79.6-120.9 -86.3 144.8 52.0 -31.4 6.2 280 282 A T > - 0 0 71 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.419 27.5-114.6 -75.2 157.9 51.8 -33.1 2.8 281 283 A E H > S+ 0 0 79 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.910 119.3 53.3 -57.3 -43.1 50.7 -31.1 -0.2 282 284 A S H > S+ 0 0 87 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.900 106.8 52.1 -59.1 -40.7 47.6 -33.3 -0.4 283 285 A Q H > S+ 0 0 87 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.926 111.7 45.5 -62.6 -44.7 46.8 -32.6 3.2 284 286 A L H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.902 111.8 52.0 -66.6 -41.8 47.0 -28.8 2.8 285 287 A Q H X S+ 0 0 47 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.868 105.7 55.3 -62.4 -36.6 45.0 -28.9 -0.4 286 288 A S H < S+ 0 0 91 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.898 115.6 37.2 -67.3 -36.6 42.2 -30.9 1.3 287 289 A H H < S+ 0 0 93 -4,-1.5 -2,-0.2 -5,-0.1 -1,-0.2 0.874 134.2 19.9 -78.8 -41.7 41.8 -28.3 4.0 288 290 A F H < S- 0 0 19 -4,-2.6 4,-0.4 1,-0.3 -3,-0.2 0.291 113.3 -95.4-120.3 7.6 42.4 -25.1 2.1 289 291 A G X - 0 0 35 -4,-2.0 4,-2.6 -5,-0.2 -1,-0.3 -0.062 41.8 -74.2 95.7 162.1 41.7 -26.0 -1.6 290 292 A E H > S+ 0 0 156 2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.907 128.8 39.3 -61.1 -47.4 43.9 -27.0 -4.5 291 293 A K H > S+ 0 0 172 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.953 120.5 42.5 -71.4 -51.9 45.4 -23.5 -5.2 292 294 A N H > S+ 0 0 55 -4,-0.4 4,-2.7 1,-0.2 -2,-0.2 0.866 113.9 53.5 -62.1 -38.6 45.8 -22.4 -1.6 293 295 A G H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.911 110.8 44.7 -64.7 -45.3 47.2 -25.9 -0.6 294 296 A S H X S+ 0 0 40 -4,-1.7 4,-1.9 -5,-0.3 5,-0.2 0.900 113.7 51.5 -65.0 -41.6 49.8 -25.9 -3.3 295 297 A W H X S+ 0 0 55 -4,-2.2 4,-3.0 1,-0.2 -2,-0.2 0.934 111.4 46.7 -61.4 -47.1 50.8 -22.3 -2.5 296 298 A L H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.899 108.7 54.7 -61.6 -43.1 51.1 -23.0 1.3 297 299 A Y H < S+ 0 0 76 -4,-2.1 4,-0.3 1,-0.2 -1,-0.2 0.930 117.0 36.7 -59.6 -45.6 53.2 -26.1 0.7 298 300 A A H ><>S+ 0 0 25 -4,-1.9 5,-2.6 1,-0.2 3,-1.2 0.902 114.3 56.2 -71.3 -43.1 55.7 -24.2 -1.4 299 301 A M H ><5S+ 0 0 0 -4,-3.0 3,-2.3 1,-0.3 -2,-0.2 0.867 99.2 57.4 -63.0 -39.9 55.6 -21.0 0.6 300 302 A C T 3<5S+ 0 0 5 -4,-2.3 -1,-0.3 1,-0.3 -23,-0.2 0.641 107.4 51.3 -68.7 -11.5 56.5 -22.5 4.0 301 303 A R T < 5S- 0 0 77 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.2 0.271 126.8-103.8-102.4 7.6 59.7 -23.7 2.2 302 304 A G T < 5S+ 0 0 1 -3,-2.3 2,-0.5 1,-0.2 -3,-0.2 0.627 81.1 130.1 82.6 16.3 60.4 -20.2 1.0 303 305 A I < + 0 0 21 -5,-2.6 2,-0.3 -6,-0.1 -1,-0.2 -0.893 21.2 153.7-112.1 128.1 59.2 -20.9 -2.6 304 306 A E - 0 0 7 -2,-0.5 -86,-0.1 -300,-0.2 -84,-0.0 -0.987 24.7-166.6-150.6 142.0 56.7 -18.8 -4.5 305 307 A H + 0 0 121 -2,-0.3 -1,-0.0 -88,-0.1 -88,-0.0 0.366 38.5 136.0-115.2 4.3 56.2 -18.3 -8.3 306 308 A D - 0 0 44 1,-0.1 -88,-0.4 3,-0.0 2,-0.1 -0.356 54.0-129.1 -55.4 120.4 53.9 -15.3 -8.4 307 309 A P - 0 0 74 0, 0.0 2,-0.9 0, 0.0 -1,-0.1 -0.386 13.1-110.5 -77.3 150.2 55.4 -13.1 -11.2 308 310 A V - 0 0 18 -2,-0.1 -188,-0.1 -200,-0.0 -200,-0.0 -0.721 43.3-139.0 -73.5 106.6 56.3 -9.4 -10.9 309 311 A K - 0 0 79 -2,-0.9 2,-1.9 1,-0.1 -191,-0.1 -0.520 8.9-123.4 -75.9 134.6 53.6 -8.1 -13.3 310 312 A P + 0 0 105 0, 0.0 2,-0.4 0, 0.0 -200,-0.2 -0.554 65.9 127.8 -77.2 82.7 54.6 -5.3 -15.7 311 313 A R B +d 110 0A 67 -2,-1.9 -200,-2.8 -202,-1.0 -2,-0.1 -0.913 23.9 164.0-144.0 111.0 52.0 -2.8 -14.5 312 314 A Q + 0 0 72 -2,-0.4 -1,-0.1 -202,-0.2 -202,-0.1 0.642 65.3 64.4-100.1 -17.8 52.8 0.7 -13.5 313 315 A L S S- 0 0 63 1,-0.1 -202,-0.1 44,-0.0 -1,-0.0 -0.854 88.7-104.8-112.5 142.2 49.3 2.2 -13.7 314 316 A P - 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