==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 16-FEB-13 4J9S . COMPND 2 MOLECULE: DNA POLYMERASE ETA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.ZHAO,M.GREGORY,C.BIERTUMPFEL,Y.HUA,F.HANAOKA,W.YANG . 424 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21552.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 294 69.3 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 . 63 14.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 22 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 141 33.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 3 0 1 0 0 1 0 0 1 0 0 0 0 0 1 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 0 A H 0 0 249 0, 0.0 2,-0.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 1.3 -45.0 13.0 -7.3 2 1 A M - 0 0 174 2,-0.0 0, 0.0 1,-0.0 0, 0.0 -0.720 360.0-134.1 -87.5 113.3 -44.0 15.4 -4.5 3 2 A A - 0 0 77 -2,-0.7 298,-0.0 1,-0.1 -1,-0.0 -0.275 13.1-162.3 -64.3 151.1 -41.2 17.7 -5.6 4 3 A T - 0 0 55 296,-0.0 -1,-0.1 297,-0.0 -2,-0.0 0.284 35.3-117.1-122.2 7.7 -38.3 18.1 -3.1 5 4 A G S S+ 0 0 4 1,-0.1 3,-0.2 296,-0.1 297,-0.1 0.900 77.2 125.9 55.9 43.6 -36.6 21.3 -4.3 6 5 A Q + 0 0 37 1,-0.1 -1,-0.1 295,-0.1 209,-0.1 0.184 31.1 103.2-117.6 16.0 -33.4 19.3 -5.1 7 6 A D S S+ 0 0 99 207,-0.1 2,-0.3 2,-0.0 -1,-0.1 0.726 78.2 40.9 -74.3 -25.6 -32.9 20.2 -8.7 8 7 A R - 0 0 26 206,-0.4 2,-0.5 -3,-0.2 178,-0.1 -0.788 64.2-137.7-124.0 162.1 -30.0 22.7 -8.3 9 8 A V + 0 0 2 -2,-0.3 113,-2.6 176,-0.1 114,-0.8 -0.992 33.4 176.8-117.4 120.9 -26.8 23.2 -6.3 10 9 A V E -AB 121 213A 0 203,-3.3 203,-2.8 -2,-0.5 2,-0.3 -0.969 11.0-167.2-129.3 138.4 -26.5 26.8 -5.0 11 10 A A E -AB 120 212A 0 109,-2.8 109,-2.7 -2,-0.4 2,-0.4 -0.863 10.6-153.6-118.6 157.1 -24.0 28.5 -2.9 12 11 A L E -AB 119 211A 0 199,-2.0 199,-1.7 207,-0.3 2,-0.5 -0.980 13.8-162.6-128.2 123.3 -23.8 31.9 -1.1 13 12 A V E -AB 118 210A 2 105,-2.7 105,-1.9 -2,-0.4 2,-0.5 -0.879 5.5-172.7-108.7 130.5 -20.4 33.3 -0.5 14 13 A D E -AB 117 209A 23 195,-2.8 195,-2.4 -2,-0.5 2,-0.4 -0.979 23.5-131.7-125.4 117.9 -19.9 36.1 2.1 15 14 A M E > - B 0 208A 8 101,-2.7 3,-0.9 -2,-0.5 193,-0.2 -0.569 36.3-113.0 -65.8 121.4 -16.6 37.9 2.5 16 15 A D T 3 S- 0 0 5 191,-1.1 5,-0.4 -2,-0.4 191,-0.2 -0.358 84.5 -26.3 -57.8 128.4 -15.9 37.8 6.2 17 16 A C T 3> S- 0 0 15 3,-0.1 4,-2.0 1,-0.1 3,-0.4 0.804 85.0-167.9 28.6 62.4 -16.0 41.4 7.6 18 17 A F H <> S+ 0 0 2 -3,-0.9 4,-2.3 1,-0.3 5,-0.2 0.829 73.6 48.8 -55.8 -50.9 -15.1 42.6 4.1 19 18 A F H > S+ 0 0 27 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.900 113.4 51.9 -57.4 -41.0 -14.2 46.3 4.6 20 19 A V H > S+ 0 0 0 -3,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.934 107.6 49.8 -59.5 -48.0 -12.0 45.2 7.5 21 20 A Q H X S+ 0 0 21 -4,-2.0 4,-2.2 -5,-0.4 -1,-0.2 0.867 108.4 54.7 -59.8 -37.2 -10.2 42.6 5.4 22 21 A V H X S+ 0 0 3 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.942 111.9 42.6 -60.2 -48.5 -9.6 45.3 2.7 23 22 A E H X S+ 0 0 10 -4,-2.1 4,-2.3 1,-0.2 7,-0.2 0.844 113.0 54.1 -66.9 -33.6 -8.0 47.6 5.3 24 23 A Q H < S+ 0 0 24 -4,-2.5 7,-0.3 2,-0.2 -1,-0.2 0.836 106.6 50.4 -71.0 -34.0 -6.0 44.7 6.8 25 24 A R H < S+ 0 0 86 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.923 115.3 44.3 -64.7 -43.1 -4.5 43.7 3.5 26 25 A Q H < S+ 0 0 121 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.862 122.5 36.6 -69.2 -37.5 -3.4 47.3 2.9 27 26 A N >< - 0 0 61 -4,-2.3 3,-2.6 -5,-0.1 4,-0.3 -0.835 65.7-168.2-124.1 92.1 -2.1 47.8 6.4 28 27 A P G > S+ 0 0 77 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.723 82.9 73.9 -52.7 -25.2 -0.4 44.7 7.8 29 28 A H G 3 S+ 0 0 156 1,-0.2 -5,-0.1 3,-0.0 -2,-0.0 0.730 95.4 52.2 -59.4 -22.8 -0.4 46.4 11.3 30 29 A L G X S+ 0 0 15 -3,-2.6 3,-1.1 -7,-0.2 -1,-0.2 0.574 83.4 117.9 -87.7 -12.3 -4.2 45.7 11.5 31 30 A R T < S- 0 0 116 -3,-1.4 -10,-0.0 -4,-0.3 -6,-0.0 -0.310 83.4 -0.1 -68.3 140.7 -4.0 42.0 10.7 32 31 A N T 3 S+ 0 0 135 1,-0.2 -1,-0.2 3,-0.0 -2,-0.0 0.806 108.5 110.4 53.1 36.2 -5.2 39.5 13.3 33 32 A K S < S- 0 0 101 -3,-1.1 2,-0.6 44,-0.0 22,-0.3 -0.906 86.1 -86.8-129.2 159.7 -6.1 42.2 15.7 34 33 A P + 0 0 25 0, 0.0 43,-2.5 0, 0.0 2,-0.3 -0.620 67.7 162.2 -65.7 117.6 -9.4 43.5 17.0 35 34 A C E -g 77 0B 0 -2,-0.6 17,-3.2 41,-0.2 2,-0.3 -0.978 23.2-173.2-144.7 145.7 -10.2 46.0 14.2 36 35 A A E -gH 78 51B 0 41,-2.2 43,-2.2 -2,-0.3 2,-0.5 -0.967 22.9-127.1-138.3 157.3 -13.1 48.0 12.9 37 36 A V E -gH 79 50B 0 13,-2.4 12,-3.0 -2,-0.3 13,-1.1 -0.926 31.1-171.7-103.4 130.4 -13.9 50.2 10.0 38 37 A V E -gH 80 48B 0 41,-2.7 43,-2.9 -2,-0.5 2,-0.4 -0.881 14.3-150.4-119.1 151.3 -15.4 53.6 10.8 39 38 A Q E S+ H 0 47B 56 8,-2.2 8,-2.4 -2,-0.3 43,-0.1 -0.984 72.3 8.2-119.2 136.4 -16.9 56.4 8.8 40 39 A Y - 0 0 71 -2,-0.4 3,-0.4 41,-0.3 -1,-0.2 0.996 63.5-159.0 66.9 83.0 -16.8 60.1 9.9 41 40 A K S > S+ 0 0 77 1,-0.2 4,-0.9 5,-0.2 5,-0.1 0.680 72.3 73.3 -70.4 -21.0 -14.6 60.5 13.0 42 41 A S T >4 S+ 0 0 130 3,-0.2 2,-1.0 2,-0.2 3,-0.5 0.938 84.3 65.3 -61.4 -52.5 -15.9 63.8 14.5 43 42 A W G >4 S- 0 0 145 -3,-0.4 3,-1.7 1,-0.3 -1,-0.1 -0.615 134.1 -31.1 -82.8 104.8 -19.2 62.7 15.9 44 43 A K G 34 S- 0 0 95 -2,-1.0 23,-2.5 1,-0.3 24,-0.4 0.775 116.4 -59.7 57.9 31.6 -18.6 60.2 18.7 45 44 A G G << S- 0 0 4 -4,-0.9 -1,-0.3 -3,-0.5 -3,-0.2 0.360 99.7 -76.4 83.6 -5.6 -15.5 58.8 17.0 46 45 A G < - 0 0 1 -3,-1.7 20,-3.5 -5,-0.1 2,-0.5 -0.163 58.1 -64.8 101.6 164.5 -17.5 57.9 14.0 47 46 A G E -HI 39 65B 15 -8,-2.4 -8,-2.2 18,-0.2 2,-0.3 -0.770 43.5-134.0 -93.1 126.8 -19.9 55.1 13.0 48 47 A I E +H 38 0B 1 16,-2.9 15,-2.6 -2,-0.5 16,-0.5 -0.603 29.6 167.8 -77.9 133.2 -18.6 51.6 12.8 49 48 A I E + 0 0 51 -12,-3.0 2,-0.3 1,-0.3 13,-0.2 0.517 64.4 29.2-123.2 -10.1 -19.6 49.7 9.7 50 49 A A E -H 37 0B 12 -13,-1.1 -13,-2.4 11,-0.1 2,-0.4 -0.987 63.2-166.1-152.0 142.6 -17.4 46.5 9.8 51 50 A V E -H 36 0B 4 -2,-0.3 -15,-0.2 -15,-0.2 -34,-0.1 -0.990 19.3-126.0-139.5 130.8 -15.9 44.6 12.6 52 51 A S > - 0 0 1 -17,-3.2 4,-2.8 -2,-0.4 3,-0.3 -0.311 29.9-114.3 -71.3 158.5 -13.2 41.9 12.7 53 52 A Y H > S+ 0 0 52 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.848 118.0 56.7 -63.7 -32.1 -13.9 38.6 14.4 54 53 A E H 4 S+ 0 0 75 -21,-0.3 4,-0.2 1,-0.2 -1,-0.2 0.886 112.2 42.6 -61.8 -39.6 -11.3 39.4 17.1 55 54 A A H >4>S+ 0 0 0 -22,-0.3 3,-2.1 -3,-0.3 5,-1.4 0.890 105.9 61.0 -75.5 -39.0 -13.2 42.6 17.8 56 55 A R H ><5S+ 0 0 105 -4,-2.8 3,-1.7 1,-0.3 -1,-0.2 0.813 93.9 67.4 -55.0 -28.5 -16.7 41.0 17.7 57 56 A A T 3<5S+ 0 0 88 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.715 97.5 52.0 -67.7 -21.7 -15.5 38.8 20.6 58 57 A F T < 5S- 0 0 103 -3,-2.1 -1,-0.3 -4,-0.2 -2,-0.2 0.384 128.9 -97.0 -90.4 -2.1 -15.5 42.0 22.8 59 58 A G T < 5S+ 0 0 37 -3,-1.7 2,-0.3 1,-0.3 -3,-0.2 0.567 72.2 151.6 96.5 10.2 -19.1 42.8 21.8 60 59 A V < + 0 0 3 -5,-1.4 -1,-0.3 -8,-0.1 2,-0.3 -0.631 18.7 173.7 -76.5 132.2 -18.2 45.3 19.0 61 60 A T - 0 0 71 -2,-0.3 3,-0.4 1,-0.1 -13,-0.2 -0.871 36.1 -89.9-131.0 167.2 -20.9 45.5 16.3 62 61 A R S S+ 0 0 177 -2,-0.3 -13,-0.2 1,-0.2 3,-0.1 -0.289 109.1 39.2 -70.2 160.4 -21.8 47.5 13.2 63 62 A S S S+ 0 0 95 -15,-2.6 2,-0.4 1,-0.3 -1,-0.2 0.857 90.3 123.2 61.6 35.7 -23.9 50.6 13.8 64 63 A M - 0 0 36 -16,-0.5 -16,-2.9 -3,-0.4 -1,-0.3 -0.948 69.6-111.8-121.3 141.5 -22.0 51.3 17.0 65 64 A W B > -I 47 0B 102 -2,-0.4 4,-2.4 -18,-0.2 3,-0.4 -0.569 23.8-127.2 -73.2 142.3 -20.3 54.6 17.6 66 65 A A H > S+ 0 0 1 -20,-3.5 4,-2.2 1,-0.2 -21,-0.2 0.869 110.0 57.5 -59.1 -38.6 -16.5 54.1 17.7 67 66 A D H > S+ 0 0 77 -23,-2.5 4,-0.7 -21,-0.3 -1,-0.2 0.908 110.1 45.5 -57.5 -40.2 -16.2 55.9 21.1 68 67 A D H >> S+ 0 0 58 -3,-0.4 4,-1.4 -24,-0.4 3,-0.9 0.907 109.5 53.2 -69.3 -42.7 -18.7 53.3 22.4 69 68 A A H 3X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.846 102.6 59.7 -61.0 -33.9 -16.8 50.4 20.8 70 69 A K H 3< S+ 0 0 81 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.758 100.0 56.4 -65.8 -25.8 -13.6 51.6 22.5 71 70 A K H << S+ 0 0 147 -3,-0.9 -1,-0.2 -4,-0.7 -2,-0.2 0.900 111.6 42.1 -69.5 -40.4 -15.3 51.1 25.8 72 71 A L H < S+ 0 0 82 -4,-1.4 -2,-0.2 1,-0.3 -1,-0.2 0.815 133.8 20.0 -73.3 -28.5 -16.0 47.5 25.0 73 72 A C >< - 0 0 0 -4,-1.8 3,-1.8 -5,-0.2 -1,-0.3 -0.774 64.7-174.2-148.9 88.7 -12.5 47.0 23.5 74 73 A P T 3 S+ 0 0 87 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.766 86.7 52.3 -63.3 -26.3 -9.9 49.5 24.5 75 74 A D T 3 S+ 0 0 125 2,-0.1 -5,-0.1 -40,-0.0 -2,-0.0 0.324 77.7 140.2 -91.7 5.9 -7.3 48.1 22.1 76 75 A L < - 0 0 2 -3,-1.8 2,-0.3 -7,-0.1 -41,-0.2 -0.225 43.1-146.5 -52.4 128.9 -9.6 48.3 19.1 77 76 A L E -g 35 0B 59 -43,-2.5 -41,-2.2 -47,-0.1 2,-0.4 -0.791 14.8-153.6 -97.6 146.1 -7.7 49.5 16.0 78 77 A L E -g 36 0B 48 -2,-0.3 2,-0.4 -43,-0.2 -41,-0.2 -0.960 15.2-165.9-126.0 138.7 -9.7 51.6 13.5 79 78 A A E -g 37 0B 9 -43,-2.2 -41,-2.7 -2,-0.4 2,-0.4 -0.977 23.4-136.8-115.4 136.3 -9.5 52.2 9.8 80 79 A Q E -g 38 0B 106 -2,-0.4 -41,-0.2 -43,-0.2 2,-0.1 -0.747 15.9-116.8 -94.8 137.4 -11.4 55.2 8.4 81 80 A V - 0 0 8 -43,-2.9 -41,-0.3 -2,-0.4 9,-0.1 -0.462 44.4 -98.0 -61.9 139.0 -13.4 55.1 5.3 82 81 A R - 0 0 107 7,-0.4 7,-2.8 -2,-0.1 2,-0.5 -0.316 36.7-147.7 -56.3 141.1 -12.0 57.6 2.7 83 82 A E E +J 88 0C 103 5,-0.2 2,-0.4 -3,-0.1 5,-0.2 -0.977 20.3 174.9-119.7 123.4 -13.9 60.9 2.6 84 83 A S E > -J 87 0C 32 3,-2.7 3,-1.4 -2,-0.5 259,-0.1 -0.995 67.3 -2.4-132.1 135.3 -14.2 62.8 -0.7 85 84 A R T 3 S- 0 0 71 -2,-0.4 -1,-0.1 1,-0.3 258,-0.1 0.856 131.8 -55.3 52.8 38.6 -16.2 65.9 -1.4 86 85 A G T 3 S+ 0 0 28 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.659 121.1 86.8 73.0 17.0 -17.4 65.9 2.2 87 86 A K E < S-J 84 0C 14 -3,-1.4 -3,-2.7 252,-0.1 -1,-0.2 -0.971 86.3 -83.8-143.1 161.3 -18.8 62.4 2.1 88 87 A A E -J 83 0C 12 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.369 39.3-156.8 -61.8 140.5 -17.9 58.7 2.6 89 88 A N - 0 0 13 -7,-2.8 -7,-0.4 1,-0.1 3,-0.4 -0.975 12.5-174.3-126.7 114.2 -16.3 57.3 -0.5 90 89 A L >> + 0 0 43 -2,-0.5 4,-2.1 1,-0.2 3,-0.8 0.224 46.9 118.0 -98.7 16.9 -16.5 53.5 -0.8 91 90 A T H 3> S+ 0 0 31 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.851 70.1 56.5 -52.0 -45.0 -14.5 53.1 -4.0 92 91 A K H 3> S+ 0 0 36 -3,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.877 111.7 43.5 -57.6 -39.1 -11.7 51.0 -2.5 93 92 A Y H <> S+ 0 0 1 -3,-0.8 4,-2.7 2,-0.2 -1,-0.2 0.874 111.4 53.3 -76.8 -38.5 -14.2 48.4 -1.3 94 93 A R H X S+ 0 0 68 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.926 111.8 46.7 -60.8 -42.7 -16.1 48.4 -4.6 95 94 A E H X S+ 0 0 99 -4,-2.8 4,-1.7 2,-0.2 -2,-0.2 0.910 112.0 49.2 -67.6 -42.6 -12.9 47.8 -6.4 96 95 A A H X S+ 0 0 2 -4,-2.1 4,-1.6 -5,-0.2 -1,-0.2 0.902 108.4 54.8 -61.3 -39.9 -11.8 45.0 -4.0 97 96 A S H X S+ 0 0 3 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.912 104.8 53.5 -60.3 -41.4 -15.3 43.4 -4.4 98 97 A V H X S+ 0 0 70 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.892 103.4 57.7 -59.0 -40.5 -14.7 43.4 -8.2 99 98 A E H X S+ 0 0 66 -4,-1.7 4,-1.0 1,-0.2 -1,-0.2 0.904 111.6 42.0 -53.0 -44.8 -11.4 41.5 -7.6 100 99 A V H X S+ 0 0 2 -4,-1.6 4,-2.4 1,-0.2 3,-0.5 0.937 111.8 51.3 -74.5 -46.1 -13.3 38.8 -5.8 101 100 A M H X S+ 0 0 12 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.820 105.3 58.1 -62.4 -30.2 -16.3 38.5 -8.1 102 101 A E H X S+ 0 0 125 -4,-2.0 4,-0.5 -5,-0.2 -1,-0.2 0.859 108.7 45.7 -67.8 -35.0 -13.9 38.2 -11.1 103 102 A I H >< S+ 0 0 12 -4,-1.0 3,-1.1 -3,-0.5 4,-0.5 0.925 110.6 53.2 -71.5 -41.1 -12.3 35.1 -9.5 104 103 A M H >X S+ 0 0 3 -4,-2.4 3,-1.9 1,-0.2 4,-1.3 0.877 99.6 62.9 -60.7 -38.1 -15.7 33.6 -8.6 105 104 A S H 3< S+ 0 0 49 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.708 92.7 64.4 -62.7 -25.9 -16.9 33.9 -12.2 106 105 A R T << S+ 0 0 138 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.717 108.6 41.3 -61.8 -27.8 -14.2 31.5 -13.4 107 106 A F T <4 S- 0 0 51 -3,-1.9 2,-0.3 -4,-0.5 -2,-0.2 0.795 126.0 -31.4 -98.1 -31.1 -15.8 28.8 -11.3 108 107 A A S < S- 0 0 17 -4,-1.3 2,-0.4 16,-0.0 -1,-0.3 -0.944 79.1 -54.3-172.7-177.9 -19.5 29.2 -11.8 109 108 A V E -C 121 0A 72 12,-1.3 12,-2.7 -2,-0.3 2,-0.4 -0.670 55.3-157.9 -84.8 126.3 -22.4 31.6 -12.5 110 109 A I E -C 120 0A 3 -2,-0.4 199,-1.9 10,-0.2 2,-0.5 -0.841 19.7-162.4-115.7 142.7 -22.6 34.4 -10.0 111 110 A E E -Cd 119 309A 18 8,-2.9 8,-2.5 -2,-0.4 2,-0.7 -0.980 24.8-135.6-111.8 116.0 -25.3 36.9 -8.8 112 111 A R E +C 118 0A 42 197,-3.1 6,-0.2 -2,-0.5 3,-0.1 -0.589 28.4 174.1 -70.4 111.2 -23.9 39.9 -7.0 113 112 A A - 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0 0 78 -4,-0.4 -20,-1.6 -7,-0.1 2,-0.3 -0.909 57.8-140.8-138.2 168.1 -15.6 28.0 6.9 231 235 A Q E -ef 146 210A 0 -86,-2.5 -84,-2.7 -2,-0.3 2,-0.4 -0.980 8.5-151.3-135.5 151.7 -18.3 26.6 4.7 232 236 A T E -ef 147 211A 0 -22,-2.2 -20,-3.0 -2,-0.3 2,-0.6 -0.972 4.7-150.6-128.9 132.0 -21.5 24.6 5.5 233 237 A L E -ef 148 212A 1 -86,-3.0 -84,-2.1 -2,-0.4 2,-0.6 -0.875 10.9-167.7 -99.5 120.6 -23.5 22.1 3.5 234 238 A V - 0 0 0 -22,-2.8 -20,-0.3 -2,-0.6 2,-0.1 -0.948 11.7-158.7-109.3 108.6 -27.2 22.0 4.3 235 239 A S - 0 0 9 -2,-0.6 4,-0.5 -86,-0.3 3,-0.4 -0.387 30.1-113.4 -80.5 165.0 -28.8 18.9 2.7 236 240 A H S > S+ 0 0 46 1,-0.2 3,-1.3 2,-0.2 -1,-0.1 0.901 119.6 56.7 -62.5 -38.0 -32.5 18.6 2.0 237 241 A G T 3 S+ 0 0 59 1,-0.3 4,-0.4 2,-0.1 -1,-0.2 0.782 99.3 58.8 -62.8 -30.8 -32.5 15.9 4.6 238 242 A S T 3> S+ 0 0 15 -3,-0.4 4,-2.3 1,-0.2 -1,-0.3 0.618 84.8 87.0 -73.4 -15.0 -31.2 18.2 7.3 239 243 A V H <> S+ 0 0 3 -3,-1.3 4,-3.4 -4,-0.5 5,-0.3 0.890 79.1 54.2 -61.5 -48.0 -34.1 20.7 6.9 240 244 A P H > S+ 0 0 95 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.936 116.9 37.8 -55.1 -47.1 -36.7 19.3 9.3 241 245 A Q H > S+ 0 0 145 -4,-0.4 4,-0.6 2,-0.2 -2,-0.2 0.901 117.6 50.8 -69.4 -41.7 -34.3 19.3 12.3 242 246 A L H >< S+ 0 0 17 -4,-2.3 3,-0.6 1,-0.2 -1,-0.2 0.921 116.0 41.3 -60.7 -44.8 -32.6 22.5 11.3 243 247 A F H >< S+ 0 0 1 -4,-3.4 29,-2.2 1,-0.2 3,-1.2 0.725 95.3 80.9 -75.1 -21.5 -36.0 24.3 10.9 244 248 A S H 3< S+ 0 0 59 -4,-1.3 -1,-0.2 -5,-0.3 -2,-0.2 0.787 111.7 20.1 -61.2 -27.4 -37.5 22.8 14.0 245 249 A Q T << S+ 0 0 150 -4,-0.6 -1,-0.3 -3,-0.6 -2,-0.2 0.147 95.0 119.8-124.8 20.1 -35.7 25.3 16.2 246 250 A M < - 0 0 23 -3,-1.2 25,-3.1 -5,-0.1 26,-0.2 -0.772 65.1-125.6 -92.0 112.5 -35.0 28.0 13.7 247 251 A P B > -K 270 0D 29 0, 0.0 3,-1.9 0, 0.0 4,-0.4 -0.269 20.2-123.9 -52.7 136.8 -36.6 31.4 14.5 248 252 A I G > S+ 0 0 0 21,-2.1 3,-1.5 1,-0.3 6,-0.2 0.839 106.7 64.3 -53.1 -35.7 -38.6 32.6 11.6 249 253 A R G 3 S+ 0 0 145 1,-0.3 -1,-0.3 20,-0.3 4,-0.2 0.627 89.2 68.2 -68.1 -14.8 -36.7 35.9 11.4 250 254 A K G < S+ 0 0 113 -3,-1.9 2,-0.3 4,-0.1 -1,-0.3 0.686 80.4 91.9 -76.7 -19.7 -33.5 34.1 10.5 251 255 A I S X S- 0 0 1 -3,-1.5 3,-2.3 -4,-0.4 4,-0.2 -0.613 95.6 -95.6 -80.1 134.3 -34.8 33.1 7.1 252 256 A R T 3 S+ 0 0 68 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.1 -0.296 109.5 15.3 -56.6 126.0 -34.1 35.5 4.3 253 257 A S T 3 S+ 0 0 72 -4,-0.2 6,-0.3 -3,-0.0 3,-0.3 0.153 110.9 81.3 93.9 -7.6 -37.0 38.0 3.7 254 258 A L < + 0 0 1 -3,-2.3 -2,-0.2 -6,-0.2 -3,-0.1 0.259 61.4 94.0-108.4 10.3 -38.6 37.1 7.0 255 259 A G S S+ 0 0 59 -4,-0.2 -1,-0.2 -5,-0.1 -6,-0.1 0.483 88.1 38.6 -78.5 -2.4 -36.4 39.4 9.1 256 260 A G S > S- 0 0 45 -3,-0.3 4,-2.0 0, 0.0 5,-0.1 -0.009 116.3 -35.9-120.7-138.0 -38.9 42.3 9.0 257 261 A K H > S+ 0 0 191 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.870 128.4 50.6 -64.0 -44.8 -42.6 43.0 9.0 258 262 A L H > S+ 0 0 44 -5,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.954 111.1 50.1 -61.0 -47.9 -43.9 40.0 7.1 259 263 A G H > S+ 0 0 1 -6,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.898 110.9 49.2 -53.9 -43.1 -41.9 37.7 9.4 260 264 A A H X S+ 0 0 58 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.859 110.3 51.6 -67.9 -34.1 -43.3 39.4 12.4 261 265 A S H X S+ 0 0 51 -4,-2.2 4,-3.3 2,-0.2 5,-0.4 0.899 106.8 52.6 -66.2 -44.4 -46.8 39.1 10.9 262 266 A V H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 6,-0.4 0.937 112.7 45.7 -55.2 -47.8 -46.3 35.4 10.4 263 267 A I H X>S+ 0 0 60 -4,-2.1 4,-1.2 -5,-0.2 5,-0.7 0.915 118.6 41.5 -60.8 -45.6 -45.3 35.0 14.0 264 268 A E H <5S+ 0 0 163 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.906 118.1 42.8 -74.0 -44.2 -48.2 37.1 15.3 265 269 A I H <5S+ 0 0 82 -4,-3.3 -3,-0.2 1,-0.2 -2,-0.2 0.891 123.8 34.7 -73.5 -38.8 -51.0 35.8 13.1 266 270 A L H <5S- 0 0 24 -4,-2.0 -1,-0.2 -5,-0.4 -2,-0.2 0.654 99.4-129.1 -92.2 -15.3 -50.2 32.1 13.3 267 271 A G T <5 + 0 0 66 -4,-1.2 2,-0.2 -5,-0.3 -3,-0.2 0.854 64.5 124.7 71.3 35.6 -48.9 32.1 16.9 268 272 A I < - 0 0 5 -5,-0.7 -1,-0.2 -6,-0.4 -2,-0.1 -0.761 44.8-168.4-122.8 169.4 -45.6 30.3 16.0 269 273 A E + 0 0 122 -2,-0.2 -21,-2.1 1,-0.2 2,-0.3 0.616 64.6 64.7-126.2 -31.3 -41.9 30.9 16.5 270 274 A Y B > S-K 247 0D 78 -23,-0.2 3,-1.1 -22,-0.1 4,-0.4 -0.787 73.7-126.0-111.0 148.7 -39.9 28.4 14.4 271 275 A M G > S+ 0 0 0 -25,-3.1 3,-1.7 -2,-0.3 4,-0.2 0.870 107.7 58.3 -54.9 -41.6 -39.7 27.9 10.6 272 276 A G G > S+ 0 0 16 -29,-2.2 3,-1.9 1,-0.3 -1,-0.3 0.784 90.4 70.9 -63.3 -28.8 -40.6 24.3 10.8 273 277 A E G X S+ 0 0 65 -3,-1.1 3,-1.2 -30,-0.3 -1,-0.3 0.682 82.1 75.0 -62.7 -20.2 -43.9 25.0 12.5 274 278 A L G X S+ 0 0 0 -3,-1.7 3,-1.7 -4,-0.4 -1,-0.3 0.695 75.9 77.9 -62.6 -22.0 -45.2 26.4 9.2 275 279 A T G < S+ 0 0 63 -3,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.665 81.1 67.8 -65.3 -14.3 -45.6 22.9 7.8 276 280 A Q G < S+ 0 0 125 -3,-1.2 2,-0.3 -4,-0.2 -1,-0.3 0.520 86.8 81.5 -87.6 -2.4 -48.8 22.4 9.7 277 281 A F S < S- 0 0 36 -3,-1.7 2,-0.1 -4,-0.1 3,-0.0 -0.758 81.1-120.0-101.9 146.9 -50.7 25.0 7.7 278 282 A T > - 0 0 72 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.475 25.8-113.9 -79.8 159.0 -52.3 24.4 4.3 279 283 A E H > S+ 0 0 78 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.915 119.8 53.2 -57.3 -42.3 -51.1 26.5 1.3 280 284 A S H > S+ 0 0 86 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.918 106.9 52.6 -59.3 -43.8 -54.6 28.0 1.1 281 285 A Q H > S+ 0 0 86 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.929 111.2 45.7 -55.3 -49.1 -54.4 29.0 4.8 282 286 A L H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 3,-0.4 0.909 112.9 49.7 -65.0 -43.3 -51.0 30.7 4.3 283 287 A Q H X S+ 0 0 56 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.867 104.7 60.0 -60.8 -35.1 -52.2 32.5 1.2 284 288 A S H < S+ 0 0 89 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.850 116.5 31.7 -64.5 -32.3 -55.3 33.6 3.1 285 289 A H H < S+ 0 0 90 -4,-1.3 -2,-0.2 -3,-0.4 -1,-0.2 0.844 133.7 23.9 -88.8 -39.1 -53.2 35.5 5.6 286 290 A F H < S- 0 0 20 -4,-2.6 4,-0.4 1,-0.3 -3,-0.2 0.418 111.1 -97.8-117.9 -1.7 -50.2 36.6 3.7 287 291 A G X - 0 0 33 -4,-2.0 4,-2.5 -5,-0.3 -1,-0.3 -0.163 43.8 -70.5 100.9 164.1 -51.3 36.8 0.1 288 292 A E H > S+ 0 0 160 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.925 128.9 39.1 -57.9 -51.1 -51.1 34.5 -2.9 289 293 A K H > S+ 0 0 167 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.963 119.4 43.3 -67.3 -55.3 -47.3 34.9 -3.5 290 294 A N H > S+ 0 0 58 -4,-0.4 4,-2.8 1,-0.2 5,-0.2 0.892 114.6 51.6 -59.9 -41.6 -46.1 35.0 0.1 291 295 A G H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.923 112.5 44.3 -62.3 -47.7 -48.4 32.1 1.1 292 296 A S H X S+ 0 0 38 -4,-2.0 4,-2.0 -5,-0.3 5,-0.2 0.904 114.4 50.6 -60.5 -43.1 -47.1 29.9 -1.7 293 297 A W H X S+ 0 0 51 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.924 111.9 46.7 -63.0 -45.9 -43.5 30.9 -1.0 294 298 A L H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.883 108.4 55.8 -62.8 -42.8 -43.9 30.1 2.7 295 299 A Y H < S+ 0 0 74 -4,-2.3 4,-0.4 -5,-0.2 -1,-0.2 0.933 116.2 36.6 -57.2 -47.6 -45.6 26.8 2.0 296 300 A A H ><>S+ 0 0 23 -4,-2.0 5,-2.6 1,-0.2 3,-1.0 0.910 115.5 54.9 -70.3 -41.8 -42.6 25.6 -0.1 297 301 A M H ><5S+ 0 0 0 -4,-2.7 3,-1.9 1,-0.3 -2,-0.2 0.842 99.4 57.5 -66.6 -36.9 -39.9 27.3 2.0 298 302 A C T 3<5S+ 0 0 5 -4,-2.3 -1,-0.3 1,-0.3 -23,-0.2 0.699 107.6 51.2 -70.6 -14.2 -40.8 25.7 5.3 299 303 A R T < 5S- 0 0 75 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.2 0.260 128.5-101.6 -98.7 6.0 -40.3 22.4 3.6 300 304 A G T < 5S+ 0 0 1 -3,-1.9 2,-0.4 1,-0.3 -3,-0.2 0.639 82.1 129.1 87.6 16.9 -36.9 23.6 2.3 301 305 A I < + 0 0 22 -5,-2.6 2,-0.3 -8,-0.1 -1,-0.3 -0.907 21.0 153.5-114.8 131.4 -38.0 24.4 -1.2 302 306 A E - 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