==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 16-JAN-09 2W8K . COMPND 2 MOLECULE: DNA POLYMERASE IV; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS; . AUTHOR R.L.EOFF,H.ZHANG,M.EGLI,F.P.GUENGERICH . 342 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18243.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 247 72.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 52 15.2 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 1 0.3 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 . 26 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 110 32.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 1 0 1 2 2 1 1 0 0 0 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 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 1 0 1 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 1 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 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 0 230 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 123.7 50.8 -18.4 -13.2 2 1 A M + 0 0 40 145,-0.1 2,-0.4 112,-0.0 109,-0.0 0.015 360.0 177.9 -51.0 135.8 47.2 -17.4 -12.8 3 2 A I - 0 0 14 113,-0.1 109,-0.9 115,-0.0 2,-0.4 -0.959 15.3-162.5-137.0 113.6 45.1 -15.2 -10.4 4 3 A V E -AB 111 146A 0 142,-2.1 142,-1.2 -2,-0.4 2,-0.6 -0.802 4.9-154.1-102.1 137.7 41.3 -14.7 -11.0 5 4 A L E -AB 110 145A 0 105,-2.4 105,-2.1 -2,-0.4 2,-0.6 -0.943 8.3-167.6-114.1 118.1 39.2 -12.0 -9.5 6 5 A F E -AB 109 144A 2 138,-2.6 138,-2.2 -2,-0.6 2,-0.5 -0.917 2.8-168.0-108.6 124.1 35.5 -12.6 -9.1 7 6 A V E +AB 108 143A 0 101,-2.3 101,-1.4 -2,-0.6 2,-0.4 -0.945 6.6 179.1-116.7 122.9 33.2 -9.7 -8.3 8 7 A D E -AB 107 142A 23 134,-2.4 134,-1.4 -2,-0.5 2,-0.4 -0.956 26.0-127.6-120.0 137.5 29.6 -10.2 -7.2 9 8 A F E > - B 0 141A 1 97,-1.7 3,-1.1 -2,-0.4 132,-0.3 -0.722 31.5-109.6 -87.7 130.8 27.2 -7.3 -6.3 10 9 A D T 3 S- 0 0 4 130,-1.8 5,-0.3 -2,-0.4 130,-0.1 -0.315 86.1 -26.9 -61.2 136.7 25.5 -7.6 -2.9 11 10 A Y T 3> S- 0 0 40 3,-0.1 4,-3.0 36,-0.1 -1,-0.3 0.743 85.1-167.8 17.5 55.3 21.7 -8.2 -3.1 12 11 A F H <> S+ 0 0 8 -3,-1.1 4,-2.3 1,-0.2 5,-0.2 0.780 71.9 38.7 -30.7 -74.9 21.9 -6.5 -6.5 13 12 A Y H > S+ 0 0 34 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.927 119.0 49.1 -50.9 -51.8 18.2 -5.8 -7.4 14 13 A A H > S+ 0 0 0 1,-0.2 4,-0.8 2,-0.2 3,-0.5 0.911 112.3 49.9 -54.3 -44.2 17.3 -5.0 -3.8 15 14 A Q H X S+ 0 0 6 -4,-3.0 4,-3.2 -5,-0.3 3,-0.4 0.841 102.1 59.4 -66.6 -34.6 20.3 -2.6 -3.6 16 15 A V H X S+ 0 0 0 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.835 105.0 50.9 -63.9 -29.0 19.4 -0.8 -6.9 17 16 A E H < S+ 0 0 18 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.2 0.737 112.6 47.1 -76.8 -24.6 16.1 0.2 -5.3 18 17 A E H >< S+ 0 0 1 -4,-0.8 3,-2.2 -3,-0.4 6,-0.3 0.881 107.9 53.5 -79.8 -47.5 18.0 1.4 -2.3 19 18 A V H 3< S+ 0 0 39 -4,-3.2 -2,-0.2 1,-0.3 -3,-0.2 0.911 110.1 51.2 -54.0 -40.0 20.5 3.3 -4.3 20 19 A L T 3< S+ 0 0 83 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.242 130.5 12.0 -83.0 14.1 17.4 5.0 -6.0 21 20 A N X - 0 0 59 -3,-2.2 3,-2.1 -5,-0.0 4,-0.4 -0.267 63.0-168.5 172.6 80.7 15.8 6.0 -2.7 22 21 A P T 3 S+ 0 0 86 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 0.517 79.5 86.0 -63.2 0.8 18.0 5.7 0.4 23 22 A S T 3 S+ 0 0 75 1,-0.2 -5,-0.1 -5,-0.1 -3,-0.0 0.565 88.8 53.8 -75.7 -5.3 14.9 6.2 2.5 24 23 A L S X S+ 0 0 18 -3,-2.1 3,-2.1 -6,-0.3 -1,-0.2 0.717 83.8 108.7 -96.2 -29.1 14.6 2.4 2.0 25 24 A K T 3 S+ 0 0 101 -4,-0.4 -10,-0.0 1,-0.3 0, 0.0 -0.039 79.9 26.6 -46.6 151.1 18.1 1.6 3.3 26 25 A G T 3 S+ 0 0 65 1,-0.2 -1,-0.3 3,-0.0 -2,-0.1 0.358 106.4 103.3 74.4 -10.7 18.2 -0.0 6.7 27 26 A K S < S- 0 0 99 -3,-2.1 2,-0.7 46,-0.0 23,-0.2 -0.727 85.1-100.4-104.1 154.1 14.7 -1.4 5.9 28 27 A P - 0 0 36 0, 0.0 45,-2.9 0, 0.0 2,-0.4 -0.635 45.4-169.3 -76.8 114.1 13.7 -5.0 4.8 29 28 A V E -e 73 0B 0 -2,-0.7 19,-1.1 43,-0.2 2,-0.5 -0.909 12.3-172.2-110.7 133.3 13.2 -4.8 1.0 30 29 A V E -eF 74 47B 1 43,-3.1 45,-2.1 -2,-0.4 2,-0.9 -0.939 13.3-153.0-126.6 106.8 11.7 -7.6 -1.1 31 30 A V E -eF 75 46B 0 15,-2.1 14,-2.8 -2,-0.5 15,-1.1 -0.712 29.3-163.8 -81.2 109.5 11.8 -7.2 -4.9 32 31 A C E -eF 76 44B 0 43,-1.9 45,-1.4 -2,-0.9 2,-0.6 -0.639 22.4-142.1-100.3 153.8 8.8 -9.3 -5.9 33 32 A V E - F 0 43B 57 10,-3.0 10,-0.8 -2,-0.2 29,-0.1 -0.903 26.8-168.3-114.9 99.2 7.6 -10.8 -9.2 34 33 A F - 0 0 90 -2,-0.6 8,-0.2 8,-0.2 5,-0.1 0.054 17.8-174.1 -76.2-172.8 3.8 -10.5 -9.5 35 34 A S - 0 0 28 6,-0.5 7,-0.1 3,-0.1 216,-0.1 0.399 41.4-113.8-153.9 -34.3 1.5 -12.2 -12.1 36 35 A G S S+ 0 0 47 5,-0.5 3,-0.2 2,-0.2 6,-0.1 0.660 81.2 114.2 97.5 18.7 -2.0 -10.9 -11.7 37 36 A R S S- 0 0 56 1,-0.3 2,-0.3 4,-0.2 5,-0.0 0.927 90.8 -9.0 -82.6 -54.3 -3.6 -14.2 -10.5 38 37 A F S S- 0 0 126 3,-0.0 -1,-0.3 0, 0.0 -2,-0.2 -0.974 94.6 -79.0-149.2 130.4 -4.5 -13.0 -6.9 39 38 A E S S+ 0 0 183 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 0.078 119.7 12.4 -30.5 123.9 -3.5 -9.8 -5.2 40 39 A D S S+ 0 0 67 1,-0.2 2,-0.4 22,-0.0 -1,-0.2 0.911 94.5 146.2 66.3 47.0 0.0 -10.2 -3.9 41 40 A S + 0 0 5 -3,-0.2 -6,-0.5 21,-0.1 -5,-0.5 -0.946 27.4 63.6-116.3 131.5 0.7 -13.3 -5.9 42 41 A G S S- 0 0 36 -2,-0.4 2,-0.3 -8,-0.2 -8,-0.2 -0.855 74.3 -76.0 163.7-127.1 4.1 -14.2 -7.3 43 42 A A E -F 33 0B 30 -10,-0.8 -10,-3.0 -2,-0.3 2,-0.5 -0.973 38.7 -94.6-165.3 164.5 7.6 -15.0 -6.0 44 43 A V E -F 32 0B 3 16,-0.7 15,-3.4 -2,-0.3 16,-0.3 -0.812 24.7-176.1 -96.3 128.4 10.6 -13.3 -4.5 45 44 A A E - 0 0 26 -14,-2.8 2,-0.3 -2,-0.5 13,-0.2 0.924 69.2 -31.1 -81.2 -54.5 13.4 -12.2 -6.8 46 45 A T E -F 31 0B 12 -15,-1.1 -15,-2.1 11,-0.1 -1,-0.4 -0.964 53.2-159.9-158.9 167.0 15.8 -11.0 -4.1 47 46 A A E -F 30 0B 0 -2,-0.3 -17,-0.2 -17,-0.2 -36,-0.1 -0.917 25.5-113.9-158.4 130.1 15.8 -9.3 -0.7 48 47 A N >> - 0 0 0 -19,-1.1 4,-2.5 -2,-0.3 3,-1.9 -0.182 47.6 -90.8 -60.2 158.9 18.4 -7.3 1.3 49 48 A Y H 3> S+ 0 0 49 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.722 121.1 68.1 -41.5 -39.3 19.7 -8.8 4.6 50 49 A E H 34 S+ 0 0 61 -23,-0.2 4,-0.4 1,-0.2 -1,-0.3 0.921 117.7 25.0 -51.1 -45.8 17.1 -7.3 6.8 51 50 A A H X4>S+ 0 0 0 -3,-1.9 3,-0.9 -22,-0.2 5,-0.8 0.847 121.1 55.7 -86.9 -37.1 14.5 -9.5 5.1 52 51 A R H ><5S+ 0 0 61 -4,-2.5 3,-1.3 1,-0.2 -3,-0.2 0.742 97.5 69.0 -65.7 -21.8 16.9 -12.2 4.1 53 52 A K T 3<5S+ 0 0 134 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.858 101.0 44.2 -62.9 -38.6 17.9 -12.4 7.8 54 53 A F T < 5S- 0 0 134 -3,-0.9 -1,-0.3 -4,-0.4 -2,-0.2 -0.048 133.0 -87.4 -98.7 28.9 14.5 -13.8 8.7 55 54 A G T < 5S+ 0 0 49 -3,-1.3 2,-0.7 1,-0.1 -3,-0.2 0.885 76.1 144.8 73.4 45.2 14.5 -16.3 5.8 56 55 A V < + 0 0 1 -5,-0.8 -1,-0.1 -7,-0.1 -3,-0.1 -0.616 23.3 144.5-115.8 75.6 13.1 -14.4 2.8 57 56 A K > - 0 0 85 -2,-0.7 3,-0.8 1,-0.2 -13,-0.2 -0.148 44.7 -50.5-105.9-156.2 14.7 -15.4 -0.2 58 57 A A T 3 S+ 0 0 54 1,-0.2 -13,-0.2 -13,-0.2 -1,-0.2 -0.334 109.2 14.7 -66.3 152.6 14.2 -16.0 -3.9 59 58 A G T 3 S+ 0 0 60 -15,-3.4 -1,-0.2 1,-0.2 -14,-0.1 0.379 92.0 126.1 71.7 -5.1 11.6 -18.1 -5.6 60 59 A I S < S- 0 0 37 -3,-0.8 -16,-0.7 -16,-0.3 -1,-0.2 -0.794 71.3 -93.1 -91.6 126.6 9.7 -18.2 -2.3 61 60 A P > - 0 0 67 0, 0.0 4,-0.6 0, 0.0 -18,-0.2 0.272 24.6-123.7 -30.9 147.0 6.0 -17.1 -2.6 62 61 A I H > S+ 0 0 1 -20,-0.2 4,-1.2 2,-0.2 3,-0.2 0.805 109.7 53.6 -71.7 -29.2 5.0 -13.4 -2.0 63 62 A V H >> S+ 0 0 65 1,-0.2 4,-3.0 2,-0.2 3,-1.1 0.977 103.3 55.0 -68.3 -52.5 2.5 -14.4 0.8 64 63 A E H 3> S+ 0 0 86 1,-0.3 4,-0.6 2,-0.2 -1,-0.2 0.704 105.0 56.8 -52.0 -19.8 5.1 -16.4 2.7 65 64 A A H 3X S+ 0 0 0 -4,-0.6 4,-3.1 -3,-0.2 -1,-0.3 0.878 112.0 40.1 -78.1 -39.3 7.1 -13.2 2.7 66 65 A K H << S+ 0 0 50 -4,-1.2 -2,-0.2 -3,-1.1 -3,-0.1 0.910 108.9 57.4 -74.3 -46.3 4.3 -11.2 4.3 67 66 A K H < S+ 0 0 158 -4,-3.0 -1,-0.2 1,-0.2 -3,-0.2 0.819 118.9 36.4 -55.2 -28.5 3.2 -13.9 6.8 68 67 A I H < S+ 0 0 76 -4,-0.6 -2,-0.2 -5,-0.4 -1,-0.2 0.893 139.9 12.9 -87.6 -48.8 6.9 -13.7 7.9 69 68 A L >< + 0 0 33 -4,-3.1 3,-1.6 1,-0.1 -2,-0.2 -0.696 62.1 169.9-132.5 81.7 7.3 -9.9 7.5 70 69 A P T 3 S+ 0 0 98 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.766 82.4 53.5 -61.4 -26.5 4.0 -8.0 6.9 71 70 A N T 3 S+ 0 0 158 -5,-0.1 2,-0.1 2,-0.1 -5,-0.1 0.184 82.1 118.8 -95.2 15.1 5.8 -4.6 7.3 72 71 A A S < S- 0 0 10 -3,-1.6 2,-0.7 -7,-0.1 -43,-0.2 -0.457 70.9-111.6 -79.2 153.4 8.5 -5.3 4.7 73 72 A V E -e 29 0B 42 -45,-2.9 -43,-3.1 -2,-0.1 2,-0.4 -0.793 34.2-163.2 -92.3 117.4 8.8 -3.0 1.6 74 73 A Y E +e 30 0B 41 -2,-0.7 -43,-0.2 -45,-0.2 -45,-0.0 -0.848 11.3 176.0-104.3 133.0 7.8 -4.9 -1.5 75 74 A L E -e 31 0B 39 -45,-2.1 -43,-1.9 -2,-0.4 3,-0.1 -0.999 31.0-112.1-138.8 135.2 8.7 -3.7 -5.0 76 75 A P E -e 32 0B 58 0, 0.0 -43,-0.2 0, 0.0 2,-0.1 -0.185 45.8 -90.9 -61.1 155.4 8.1 -5.3 -8.4 77 76 A M - 0 0 81 -45,-1.4 -43,-0.1 -46,-0.1 -45,-0.0 -0.401 39.6-173.7 -68.4 146.4 11.1 -6.4 -10.4 78 77 A R >> + 0 0 108 1,-0.1 4,-1.5 -3,-0.1 3,-0.8 -0.273 13.1 167.0-140.8 54.3 12.5 -3.8 -12.8 79 78 A K H 3> S+ 0 0 92 1,-0.2 4,-3.6 2,-0.2 3,-0.5 0.828 72.4 66.6 -31.1 -65.5 15.3 -5.3 -15.0 80 79 A E H 3> S+ 0 0 138 1,-0.3 4,-2.1 2,-0.2 3,-0.3 0.820 108.9 37.5 -22.4 -70.6 15.4 -2.4 -17.4 81 80 A V H <> S+ 0 0 43 -3,-0.8 4,-1.9 1,-0.3 -1,-0.3 0.852 117.7 50.8 -54.7 -44.2 16.7 -0.0 -14.6 82 81 A Y H X S+ 0 0 0 -4,-1.5 4,-2.1 -3,-0.5 -1,-0.3 0.809 107.1 56.1 -68.1 -30.2 18.9 -2.7 -13.1 83 82 A Q H X S+ 0 0 79 -4,-3.6 4,-2.3 -3,-0.3 5,-0.2 0.984 107.2 46.5 -67.0 -54.7 20.4 -3.5 -16.5 84 83 A Q H X S+ 0 0 114 -4,-2.1 4,-1.9 -5,-0.3 5,-0.2 0.964 112.5 51.1 -46.2 -66.9 21.5 0.1 -17.1 85 84 A V H X S+ 0 0 8 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.838 112.4 45.6 -37.3 -53.4 23.1 0.3 -13.7 86 85 A S H >X S+ 0 0 3 -4,-2.1 4,-3.1 2,-0.2 3,-0.7 0.989 105.7 57.8 -58.4 -63.9 25.0 -2.9 -14.1 87 86 A S H 3X S+ 0 0 45 -4,-2.3 4,-0.9 1,-0.3 -1,-0.2 0.798 106.8 51.8 -32.3 -49.1 26.4 -2.2 -17.6 88 87 A R H >X S+ 0 0 119 -4,-1.9 3,-1.0 2,-0.2 4,-0.7 0.948 111.9 43.7 -59.0 -51.9 27.9 0.9 -16.2 89 88 A I H XX S+ 0 0 0 -4,-1.7 3,-0.7 -3,-0.7 4,-0.5 0.875 113.7 53.4 -62.1 -33.8 29.6 -0.9 -13.4 90 89 A M H 3X S+ 0 0 6 -4,-3.1 4,-0.7 1,-0.2 -1,-0.3 0.670 102.9 56.1 -75.4 -15.3 30.5 -3.6 -15.9 91 90 A N H << S+ 0 0 82 -3,-1.0 -1,-0.2 -4,-0.9 -2,-0.2 0.607 103.7 57.9 -88.0 -11.2 32.1 -0.9 -18.1 92 91 A L H << S+ 0 0 36 -4,-0.7 -2,-0.2 -3,-0.7 -1,-0.2 0.583 100.6 51.5 -92.0 -14.9 34.3 -0.0 -15.1 93 92 A L H >X S+ 0 0 1 -4,-0.5 3,-2.5 1,-0.2 4,-0.7 0.777 98.2 68.3 -88.0 -29.8 35.9 -3.4 -14.6 94 93 A R T 3< S+ 0 0 109 -4,-0.7 -1,-0.2 1,-0.3 -2,-0.2 0.584 90.7 63.9 -61.2 -10.1 36.7 -3.3 -18.3 95 94 A E T 34 S+ 0 0 141 -3,-0.2 -1,-0.3 1,-0.2 -2,-0.2 0.641 101.6 50.2 -86.9 -18.1 39.1 -0.5 -17.3 96 95 A Y T <4 S- 0 0 39 -3,-2.5 2,-0.3 1,-0.2 -2,-0.2 0.563 124.7 -8.2 -96.0 -12.8 41.1 -3.0 -15.2 97 96 A S < - 0 0 0 -4,-0.7 -1,-0.2 1,-0.1 3,-0.1 -0.975 38.3-142.3-175.6 162.3 41.5 -5.7 -17.8 98 97 A E S S+ 0 0 143 -2,-0.3 2,-1.7 13,-0.2 -1,-0.1 0.566 93.3 80.7-105.0 -21.8 40.6 -7.0 -21.3 99 98 A K + 0 0 94 12,-0.2 12,-2.3 -3,-0.1 2,-0.4 -0.679 70.0 142.7 -86.4 81.4 40.5 -10.6 -19.9 100 99 A I E -C 110 0A 6 -2,-1.7 2,-0.5 10,-0.2 10,-0.2 -0.990 37.3-163.5-131.4 135.8 37.0 -10.2 -18.6 101 100 A E E -C 109 0A 5 8,-2.7 8,-2.4 -2,-0.4 2,-1.3 -0.935 6.3-159.2-123.1 109.0 34.1 -12.7 -18.4 102 101 A I + 0 0 48 -2,-0.5 6,-0.2 6,-0.2 139,-0.1 -0.683 19.3 170.1 -89.6 88.0 30.6 -11.3 -17.7 103 102 A A - 0 0 26 -2,-1.3 2,-0.2 4,-0.5 -1,-0.2 0.784 60.9 -15.2 -67.7 -35.1 28.8 -14.4 -16.5 104 103 A S S S- 0 0 31 3,-1.7 0, 0.0 1,-0.0 0, 0.0 -0.628 79.5 -80.9-146.5-154.9 25.6 -12.8 -15.2 105 104 A I S S+ 0 0 31 -2,-0.2 -15,-0.1 1,-0.1 3,-0.0 0.781 126.9 37.1 -91.6 -30.1 24.1 -9.4 -14.4 106 105 A D S S+ 0 0 40 1,-0.1 -97,-1.7 -98,-0.0 2,-0.3 0.174 115.9 47.5-107.0 15.9 25.7 -9.4 -10.9 107 106 A E E +A 8 0A 32 -99,-0.2 -3,-1.7 2,-0.0 -4,-0.5 -0.953 45.2 170.4-164.4 145.3 29.1 -10.9 -11.6 108 107 A A E -A 7 0A 0 -101,-1.4 -101,-2.3 -2,-0.3 2,-0.4 -0.994 22.5-132.3-151.2 151.5 32.2 -11.1 -13.7 109 108 A Y E -AC 6 101A 16 -8,-2.4 -8,-2.7 -2,-0.3 2,-0.4 -0.854 15.6-158.7-109.7 142.8 35.6 -12.6 -13.7 110 109 A L E -AC 5 100A 1 -105,-2.1 -105,-2.4 -2,-0.4 2,-1.0 -0.948 13.9-147.4-123.7 138.7 39.0 -10.9 -14.3 111 110 A D E > +A 4 0A 14 -12,-2.3 3,-0.7 -2,-0.4 -12,-0.2 -0.687 27.2 165.2-103.7 76.8 42.3 -12.5 -15.4 112 111 A I G >> + 0 0 3 -2,-1.0 4,-1.7 -109,-0.9 3,-1.5 0.141 33.6 123.3 -80.4 22.7 44.7 -10.1 -13.7 113 112 A S G 34 S+ 0 0 30 1,-0.3 -1,-0.2 2,-0.1 -109,-0.1 0.796 81.1 40.4 -53.4 -27.2 47.5 -12.6 -14.2 114 113 A D G <4 S+ 0 0 121 -3,-0.7 -1,-0.3 -111,-0.1 3,-0.1 -0.265 112.9 48.9-119.7 47.8 49.4 -9.7 -16.0 115 114 A K T <4 S+ 0 0 92 -3,-1.5 2,-0.4 1,-0.5 -2,-0.1 0.343 111.3 39.7-145.9 -37.9 48.6 -6.6 -13.9 116 115 A V < - 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0 0 0 -22,-3.1 -20,-0.3 -2,-0.4 5,-0.1 -0.826 21.8-150.5-114.8 89.3 42.3 -18.5 -1.1 168 167 A D > - 0 0 61 -2,-0.7 4,-1.0 1,-0.1 3,-0.1 0.084 37.8 -89.9 -48.1 169.6 46.1 -18.9 -1.5 169 168 A D H > S+ 0 0 74 1,-0.2 4,-0.6 2,-0.2 -1,-0.1 0.700 126.2 58.3 -60.8 -19.7 47.4 -22.0 -3.2 170 169 A E H >> S+ 0 0 112 1,-0.2 3,-1.5 2,-0.2 4,-1.2 0.958 100.9 51.3 -75.0 -51.6 47.5 -23.8 0.2 171 170 A E H 3> S+ 0 0 39 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.724 93.7 73.7 -59.7 -22.7 43.9 -23.4 1.2 172 171 A V H 3X S+ 0 0 0 -4,-1.0 4,-2.2 1,-0.2 -1,-0.3 0.925 103.2 42.2 -56.4 -40.4 42.9 -24.9 -2.2 173 172 A K H S+ 0 0 1 20,-1.5 3,-0.6 1,-0.2 -1,-0.1 0.733 101.4 58.4 -92.3 -22.9 30.7 -30.7 -2.2 182 181 A A T 3 S+ 0 0 44 19,-0.3 5,-0.2 1,-0.3 -1,-0.2 0.453 93.4 69.5 -85.1 0.1 27.1 -29.2 -2.5 183 182 A D T 3 S+ 0 0 104 -3,-0.2 -1,-0.3 2,-0.1 -2,-0.1 -0.156 84.1 103.5-104.8 33.8 28.6 -25.8 -1.8 184 183 A V S X S- 0 0 12 -3,-0.6 3,-0.6 3,-0.2 2,-0.2 -0.888 84.2 -96.8-116.4 147.6 30.2 -26.0 -5.2 185 184 A P T 3 S+ 0 0 28 0, 0.0 -2,-0.1 0, 0.0 -35,-0.0 -0.442 108.2 20.2 -65.9 133.3 29.1 -24.3 -8.4 186 185 A G T 3 S+ 0 0 50 -2,-0.2 -4,-0.0 -4,-0.1 0, 0.0 0.907 94.4 108.4 75.8 44.6 27.0 -26.4 -10.6 187 186 A I < + 0 0 8 -3,-0.6 -3,-0.2 -5,-0.2 5,-0.1 -0.303 43.5 173.7-147.9 54.3 26.0 -28.9 -7.9 188 187 A G > - 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0 0 145 -2,-0.3 3,-3.0 1,-0.2 4,-0.9 -0.366 39.2-142.8 -58.4 90.0 35.6 -45.9 -10.9 211 210 A F H >> S+ 0 0 62 -2,-1.3 4,-2.5 1,-0.3 3,-1.4 0.704 91.1 67.6 -18.4 -63.7 35.0 -43.0 -13.2 212 211 A D H 3> S+ 0 0 96 1,-0.3 4,-1.7 2,-0.2 -1,-0.3 0.655 102.1 45.8 -40.5 -28.9 32.5 -44.9 -15.4 213 212 A K H <> S+ 0 0 146 -3,-3.0 4,-1.9 2,-0.2 -1,-0.3 0.805 111.5 52.9 -85.3 -32.8 29.9 -45.1 -12.6 214 213 A L H S+ 0 0 0 -3,-1.4 4,-2.5 -4,-0.9 5,-1.1 0.880 109.4 52.5 -65.9 -37.2 30.5 -41.4 -12.0 215 214 A K H X5S+ 0 0 88 -4,-2.5 4,-1.3 1,-0.2 5,-0.3 0.995 115.5 35.2 -62.5 -64.8 29.9 -40.9 -15.7 216 215 A G H <5S+ 0 0 68 -4,-1.7 -1,-0.2 3,-0.2 -2,-0.2 0.789 119.8 56.6 -61.8 -23.9 26.5 -42.6 -15.9 217 216 A M H <5S+ 0 0 59 -4,-1.9 -2,-0.2 -5,-0.1 -3,-0.2 0.998 130.4 0.3 -71.5 -66.3 25.8 -41.3 -12.4 218 217 A I H <5S- 0 0 21 -4,-2.5 -3,-0.2 -5,-0.1 -2,-0.2 0.783 113.7 -86.5 -96.0 -31.2 26.2 -37.5 -12.8 219 218 A G >X< - 0 0 31 -4,-1.3 3,-1.9 -5,-1.1 4,-1.5 0.434 36.0-102.2 119.0 100.4 27.1 -37.1 -16.5 220 219 A E H 3> S+ 0 0 82 -5,-0.3 4,-3.1 1,-0.3 5,-0.2 0.533 118.5 58.5 -13.5 -45.2 30.6 -37.3 -17.8 221 220 A A H 3> S+ 0 0 69 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.969 112.3 37.3 -60.5 -57.0 30.9 -33.5 -18.1 222 221 A K H <> S+ 0 0 83 -3,-1.9 4,-2.6 1,-0.2 5,-0.2 0.889 116.6 58.6 -60.0 -37.1 30.2 -32.9 -14.4 223 222 A A H X S+ 0 0 0 -4,-1.5 4,-1.4 1,-0.2 -2,-0.2 0.886 109.7 39.8 -58.4 -45.5 32.3 -36.1 -13.9 224 223 A K H X S+ 0 0 106 -4,-3.1 4,-2.8 -5,-0.2 -1,-0.2 0.841 114.5 54.6 -74.5 -33.3 35.3 -34.6 -15.6 225 224 A Y H X S+ 0 0 48 -4,-2.4 4,-0.9 -5,-0.2 -2,-0.2 0.871 109.1 46.3 -68.4 -39.6 34.8 -31.2 -14.0 226 225 A L H X S+ 0 0 0 -4,-2.6 4,-1.8 -5,-0.2 -1,-0.2 0.913 116.5 45.3 -70.0 -41.2 34.7 -32.5 -10.4 227 226 A I H >X S+ 0 0 29 -4,-1.4 4,-1.2 -5,-0.2 3,-0.6 0.983 112.2 49.4 -63.0 -60.0 37.8 -34.7 -11.0 228 227 A S H 3<>S+ 0 0 34 -4,-2.8 5,-1.6 1,-0.3 6,-0.3 0.708 113.7 49.7 -51.8 -24.4 39.8 -32.0 -12.8 229 228 A L H ><5S+ 0 0 1 -4,-0.9 3,-0.9 4,-0.2 -1,-0.3 0.839 106.9 51.6 -85.5 -36.7 38.9 -29.7 -9.9 230 229 A A H <<5S+ 0 0 9 -4,-1.8 -2,-0.2 -3,-0.6 -1,-0.2 0.592 105.5 59.1 -75.8 -12.1 40.0 -32.2 -7.2 231 230 A R T 3<5S- 0 0 161 -4,-1.2 -1,-0.3 -5,-0.1 -2,-0.1 -0.096 111.6-116.3-107.1 33.5 43.3 -32.6 -8.9 232 231 A D T < 5S+ 0 0 42 -3,-0.9 -3,-0.2 1,-0.2 -2,-0.1 0.795 94.4 105.2 35.1 35.8 44.3 -28.9 -8.7 233 232 A E < + 0 0 154 -5,-1.6 2,-0.3 -6,-0.2 -4,-0.2 0.174 36.2 119.4-126.6 15.3 44.2 -29.1 -12.5 234 233 A Y + 0 0 26 -6,-0.3 -5,-0.0 -5,-0.2 -9,-0.0 -0.623 27.8 146.3 -77.3 142.7 40.9 -27.3 -13.2 235 234 A N + 0 0 72 -2,-0.3 -1,-0.1 -87,-0.1 -6,-0.0 0.408 10.4 161.3-166.6 22.8 41.6 -24.2 -15.4 236 235 A E - 0 0 130 1,-0.1 -87,-0.4 -88,-0.0 3,-0.1 -0.290 42.5-123.7 -54.1 133.1 39.2 -23.1 -18.1 237 236 A P - 0 0 74 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 -0.068 27.1 -81.7 -73.4 173.8 40.1 -19.4 -18.9 238 237 A I + 0 0 22 -139,-0.0 2,-0.4 2,-0.0 -138,-0.1 -0.708 54.5 178.6 -82.4 111.2 38.1 -16.2 -18.8 239 238 A R - 0 0 157 -2,-0.7 2,-0.7 -140,-0.1 -130,-0.1 -0.919 36.0-114.4-118.5 140.8 36.0 -16.0 -22.0 240 239 A T - 0 0 93 -2,-0.4 2,-0.3 -139,-0.2 -139,-0.1 -0.621 37.3-142.3 -72.9 114.2 33.6 -13.3 -23.0 241 240 A R - 0 0 98 -2,-0.7 2,-0.3 -139,-0.1 -139,-0.1 -0.598 10.7-143.9 -80.8 139.1 30.3 -15.2 -23.1 242 241 A V - 0 0 90 -2,-0.3 2,-0.3 1,-0.0 -1,-0.0 -0.791 26.2-100.8-103.7 143.6 27.8 -14.2 -25.8 243 242 A R + 0 0 151 -2,-0.3 3,-0.1 1,-0.2 -1,-0.0 -0.484 42.9 177.3 -61.1 120.7 24.0 -14.1 -25.5 244 243 A K + 0 0 143 -2,-0.3 96,-0.6 1,-0.2 97,-0.3 0.592 57.6 12.2-104.1 -13.3 23.0 -17.4 -27.1 245 244 A S E -H 339 0D 28 94,-0.2 2,-0.3 95,-0.1 94,-0.2 -0.986 56.6-161.1-158.2 161.5 19.2 -17.3 -26.6 246 245 A I E +H 338 0D 12 92,-2.8 92,-2.4 -2,-0.3 2,-0.2 -0.988 19.9 144.7-146.2 153.0 16.3 -15.0 -25.7 247 246 A G E -H 337 0D 21 -2,-0.3 2,-0.3 90,-0.3 90,-0.2 -0.821 30.2-142.2 171.9 148.0 12.7 -15.4 -24.5 248 247 A R E -H 336 0D 93 88,-0.8 88,-0.7 21,-0.3 2,-0.3 -0.895 9.6-171.6-118.9 145.9 9.8 -14.3 -22.4 249 248 A I E -H 335 0D 47 -2,-0.3 86,-0.2 86,-0.2 2,-0.1 -0.791 13.0-167.2-140.8 93.7 7.3 -16.6 -20.6 250 249 A V E -H 334 0D 5 84,-0.5 84,-1.6 -2,-0.3 2,-0.6 -0.361 22.6-116.3 -79.0 161.1 4.3 -14.7 -19.1 251 250 A T E -H 333 0D 28 82,-0.2 82,-0.2 -216,-0.1 -1,-0.1 -0.889 28.3-127.7-105.3 112.3 1.8 -16.2 -16.6 252 251 A M E - 0 0 0 -2,-0.6 3,-0.2 80,-0.5 10,-0.0 0.033 18.9-118.0 -49.1 160.2 -1.8 -16.6 -17.9 253 252 A K E S+ 0 0 94 1,-0.3 2,-0.2 -216,-0.0 -1,-0.1 0.522 95.0 6.9 -82.4 -3.7 -4.5 -15.1 -15.7 254 253 A R E S- 0 0 167 78,-0.2 -1,-0.3 77,-0.1 77,-0.1 -0.633 90.0 -89.4 178.8 119.9 -6.1 -18.6 -15.2 255 254 A N E + 0 0 26 -3,-0.2 2,-0.2 -2,-0.2 77,-0.2 0.066 60.5 169.8 -30.5 122.1 -5.2 -22.2 -16.1 256 255 A S E -H 331 0D 6 75,-2.3 75,-3.0 1,-0.1 36,-0.1 -0.766 36.6-174.4-135.7 178.5 -6.6 -22.9 -19.6 257 256 A R + 0 0 103 -2,-0.2 2,-0.4 73,-0.2 -1,-0.1 0.383 55.1 98.0-157.5 -1.7 -6.7 -25.4 -22.5 258 257 A N > - 0 0 100 1,-0.1 4,-1.6 0, 0.0 5,-0.1 -0.816 68.9-132.2 -94.6 139.5 -8.7 -24.0 -25.4 259 258 A L H > S+ 0 0 33 -2,-0.4 4,-2.6 1,-0.2 -1,-0.1 0.950 93.9 58.1 -54.2 -62.3 -6.5 -22.5 -28.1 260 259 A E H 4 S+ 0 0 115 1,-0.2 -1,-0.2 2,-0.2 0, 0.0 0.843 110.4 41.0 -39.0 -57.0 -8.2 -19.1 -28.8 261 260 A E H 4 S+ 0 0 90 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.938 114.7 52.5 -63.5 -43.4 -8.0 -17.8 -25.3 262 261 A I H >X S+ 0 0 0 -4,-1.6 3,-1.2 1,-0.2 4,-1.0 0.903 94.4 75.6 -57.5 -43.7 -4.5 -19.1 -24.8 263 262 A K H >X S+ 0 0 44 -4,-2.6 4,-1.6 1,-0.2 3,-0.6 0.802 85.7 57.1 -34.2 -62.9 -3.2 -17.4 -28.0 264 263 A P H 3> S+ 0 0 72 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.769 100.4 55.6 -46.6 -40.3 -3.0 -13.7 -26.8 265 264 A Y H <> S+ 0 0 36 -3,-1.2 4,-1.6 -4,-0.5 3,-0.3 0.947 110.8 48.9 -58.7 -46.0 -0.6 -14.3 -23.8 266 265 A L H X S+ 0 0 82 -4,-2.8 4,-2.0 1,-0.2 3,-0.6 0.950 116.2 61.8 -54.2 -50.0 8.1 -8.1 -25.9 273 272 A S H 3X S+ 0 0 0 -4,-1.5 4,-1.3 -5,-0.4 3,-0.5 0.906 103.5 48.0 -41.8 -56.3 10.4 -10.9 -26.8 274 273 A Y H 3X S+ 0 0 34 -4,-2.6 4,-1.6 1,-0.3 -1,-0.3 0.835 103.9 58.7 -57.3 -38.5 11.1 -9.3 -30.2 275 274 A Y H << S+ 0 0 191 -4,-1.6 -1,-0.3 -3,-0.6 -2,-0.2 0.923 107.8 49.8 -55.7 -43.3 11.8 -5.9 -28.7 276 275 A K H < S+ 0 0 116 -4,-2.0 -1,-0.2 -3,-0.5 -2,-0.2 0.789 100.5 63.4 -67.3 -30.7 14.5 -7.6 -26.7 277 276 A L H < S+ 0 0 2 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.977 76.5 166.8 -56.5 -58.3 16.0 -9.2 -29.8 278 277 A D S < S- 0 0 103 -4,-1.6 3,-0.1 1,-0.2 -3,-0.1 0.873 70.3 -3.3 41.3 110.9 16.9 -5.9 -31.4 279 278 A K S S+ 0 0 198 1,-0.2 2,-0.6 0, 0.0 -1,-0.2 0.437 113.7 109.2 64.9 -5.1 19.2 -6.2 -34.4 280 279 A R - 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