==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 13-NOV-08 3F8T . COMPND 2 MOLECULE: PREDICTED ATPASE INVOLVED IN REPLICATION CONTROL, . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOPYRUS KANDLERI AV19; . AUTHOR B.BAE,S.K.NAIR . 459 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21320.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 340 74.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 7.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 50 10.9 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 . 0 0.0 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-3), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 33 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 156 34.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.3 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 3 0 0 1 2 2 0 1 1 1 2 1 0 2 0 0 0 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 4 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 PARALLEL BRIDGES PER LADDER . 0 0 0 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 3 0 0 1 0 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 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 18 A R > 0 0 185 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 126.4 70.6 5.8 17.9 2 19 A I H > + 0 0 40 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.911 360.0 54.0 -65.1 -47.9 66.9 6.3 17.7 3 20 A G H > S+ 0 0 15 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.881 108.6 50.1 -53.3 -44.4 65.8 3.5 20.0 4 21 A E H > S+ 0 0 127 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.913 111.7 47.5 -62.1 -44.0 68.1 4.8 22.8 5 22 A V H X S+ 0 0 5 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.948 112.2 50.0 -62.5 -47.9 66.7 8.4 22.4 6 23 A A H ><>S+ 0 0 0 -4,-3.0 5,-3.0 1,-0.2 3,-0.5 0.928 112.0 47.3 -54.9 -49.5 63.1 7.0 22.5 7 24 A S H ><5S+ 0 0 95 -4,-2.6 3,-1.2 1,-0.2 -1,-0.2 0.906 109.2 55.0 -58.5 -46.2 63.8 5.0 25.6 8 25 A R H 3<5S+ 0 0 143 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.788 114.5 39.5 -55.2 -35.1 65.4 8.0 27.3 9 26 A F T <<5S- 0 0 56 -4,-1.5 -1,-0.2 -3,-0.5 -2,-0.2 0.283 116.3-108.8-106.0 8.6 62.3 10.1 26.7 10 27 A G T < 5S+ 0 0 57 -3,-1.2 -3,-0.2 -4,-0.4 -4,-0.1 0.807 72.5 137.8 69.7 33.3 59.7 7.4 27.5 11 28 A L < - 0 0 8 -5,-3.0 -1,-0.2 -6,-0.2 -2,-0.1 -0.882 62.6-107.8-109.1 140.2 58.6 7.0 23.8 12 29 A P >> - 0 0 62 0, 0.0 4,-1.0 0, 0.0 3,-0.9 -0.455 34.2-123.9 -57.7 134.6 57.8 3.8 22.0 13 30 A T H 3> S+ 0 0 54 1,-0.2 4,-2.5 2,-0.2 3,-0.3 0.865 108.5 61.4 -50.8 -41.2 60.7 3.4 19.5 14 31 A R H 3> S+ 0 0 124 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.849 95.4 61.5 -58.9 -35.5 58.3 3.2 16.5 15 32 A V H <> S+ 0 0 2 -3,-0.9 4,-1.8 1,-0.2 -1,-0.2 0.952 111.4 38.1 -52.4 -52.5 57.0 6.8 17.3 16 33 A L H X S+ 0 0 0 -4,-1.0 4,-2.4 -3,-0.3 -2,-0.2 0.869 114.9 53.1 -71.5 -39.7 60.5 8.2 16.7 17 34 A I H X S+ 0 0 53 -4,-2.5 4,-1.4 2,-0.2 -2,-0.2 0.934 111.4 46.3 -58.6 -47.3 61.4 5.9 13.8 18 35 A E H < S+ 0 0 46 -4,-3.0 4,-0.5 -5,-0.2 -2,-0.2 0.890 112.1 52.3 -66.4 -34.6 58.2 6.9 12.0 19 36 A I H >< S+ 0 0 0 -4,-1.8 3,-1.3 -5,-0.3 6,-0.3 0.941 109.1 47.5 -62.0 -50.2 58.9 10.6 12.7 20 37 A V H 3< S+ 0 0 24 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.744 104.9 61.7 -67.4 -24.2 62.5 10.6 11.3 21 38 A R T 3< S+ 0 0 182 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.646 82.0 107.3 -74.1 -16.7 61.3 8.8 8.2 22 39 A T S <> S- 0 0 7 -3,-1.3 4,-2.3 -4,-0.5 5,-0.2 -0.301 74.5-130.9 -66.5 147.9 59.0 11.7 7.2 23 40 A E H > S+ 0 0 137 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.930 107.4 55.9 -62.7 -45.3 60.1 13.9 4.3 24 41 A S H > S+ 0 0 18 1,-0.2 4,-1.9 2,-0.2 15,-0.5 0.906 112.1 42.9 -50.3 -49.2 59.4 17.1 6.4 25 42 A F H > S+ 0 0 2 -6,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.925 114.0 47.8 -67.6 -51.0 61.8 15.9 9.1 26 43 A Q H X S+ 0 0 91 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.884 114.4 46.7 -58.7 -44.3 64.6 14.6 6.8 27 44 A R H X S+ 0 0 148 -4,-2.6 4,-0.7 2,-0.2 -1,-0.2 0.917 116.4 42.9 -66.0 -47.0 64.7 17.7 4.6 28 45 A S H >< S+ 0 0 16 -4,-1.9 3,-0.6 -5,-0.3 -2,-0.2 0.853 108.9 58.4 -69.2 -35.5 64.7 20.2 7.6 29 46 A L H >< S+ 0 0 28 -4,-2.6 3,-1.0 1,-0.2 -1,-0.2 0.879 105.8 50.6 -60.2 -36.7 67.2 18.1 9.5 30 47 A A H 3< S+ 0 0 69 -4,-1.4 3,-0.3 1,-0.2 -1,-0.2 0.726 110.8 49.8 -69.9 -23.4 69.6 18.5 6.5 31 48 A R T X<>S+ 0 0 143 -4,-0.7 3,-0.8 -3,-0.6 5,-0.7 0.180 76.3 111.0-100.3 13.4 69.0 22.3 6.6 32 49 A V G X 5 + 0 0 9 -3,-1.0 3,-1.2 1,-0.2 -1,-0.2 0.719 67.4 62.9 -69.8 -25.3 69.6 22.8 10.4 33 50 A T G 3 5S+ 0 0 119 -3,-0.3 -1,-0.2 1,-0.3 -2,-0.1 0.866 91.1 67.7 -65.6 -36.3 72.9 24.8 10.0 34 51 A S G < 5S- 0 0 54 -3,-0.8 -1,-0.3 1,-0.1 -2,-0.2 0.395 118.7-113.7 -60.9 3.4 70.9 27.5 8.2 35 52 A G T < 5S+ 0 0 26 -3,-1.2 -3,-0.1 1,-0.3 -2,-0.1 0.343 71.7 141.0 78.1 -6.6 69.2 28.0 11.6 36 53 A K < - 0 0 124 -5,-0.7 -1,-0.3 1,-0.1 42,-0.2 -0.387 56.5-107.9 -67.8 141.8 65.8 26.8 10.3 37 54 A P - 0 0 19 0, 0.0 2,-0.3 0, 0.0 42,-0.2 -0.328 30.6-105.1 -69.9 154.8 63.9 24.7 12.8 38 55 A V E -a 79 0A 2 40,-2.9 42,-2.7 -9,-0.1 2,-0.4 -0.639 43.6-147.5 -75.1 138.0 63.4 21.0 12.3 39 56 A V E -a 80 0A 26 -15,-0.5 2,-0.6 -2,-0.3 -11,-0.2 -0.934 18.4-166.2-120.4 129.8 59.9 20.4 11.1 40 57 A L E -a 81 0A 1 40,-2.6 42,-2.6 -2,-0.4 2,-0.8 -0.960 8.2-160.5-111.7 113.9 57.5 17.6 11.6 41 58 A D E > -a 82 0A 29 -2,-0.6 3,-2.0 40,-0.2 42,-0.2 -0.848 5.1-158.6 -92.9 107.9 54.4 17.6 9.3 42 59 A L G > S+ 0 0 1 40,-2.8 3,-1.5 -2,-0.8 41,-0.2 0.666 85.9 69.4 -62.7 -21.4 51.9 15.4 11.1 43 60 A R G 3 S+ 0 0 160 1,-0.3 -1,-0.3 39,-0.2 4,-0.1 0.648 87.5 68.6 -70.3 -15.1 49.9 14.7 7.9 44 61 A E G < S+ 0 0 83 -3,-2.0 2,-0.3 2,-0.1 -1,-0.3 0.429 98.7 66.0 -82.3 0.3 53.0 12.7 6.8 45 62 A L S < S- 0 0 20 -3,-1.5 5,-0.1 1,-0.1 -26,-0.0 -0.812 102.3 -75.7-119.0 159.1 52.1 10.1 9.5 46 63 A D > - 0 0 88 -2,-0.3 4,-3.0 1,-0.1 3,-0.2 -0.257 47.7-121.7 -44.9 134.8 49.3 7.7 10.3 47 64 A S H > S+ 0 0 93 1,-0.3 4,-2.2 2,-0.2 -1,-0.1 0.828 111.9 49.0 -58.5 -40.7 46.3 9.7 11.6 48 65 A D H > S+ 0 0 130 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.870 113.6 47.6 -67.8 -36.2 46.2 7.8 14.9 49 66 A L H > S+ 0 0 5 -3,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.913 109.4 52.9 -67.6 -43.5 49.9 8.4 15.4 50 67 A A H X S+ 0 0 5 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.935 112.1 47.0 -54.5 -47.2 49.5 12.1 14.4 51 68 A S H X S+ 0 0 30 -4,-2.2 4,-2.6 -5,-0.2 -2,-0.2 0.911 111.1 50.0 -61.0 -46.0 46.9 12.3 17.1 52 69 A W H X S+ 0 0 78 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.894 110.5 51.1 -61.2 -41.9 49.0 10.5 19.7 53 70 A I H < S+ 0 0 0 -4,-2.8 7,-0.3 2,-0.2 -2,-0.2 0.933 110.4 47.8 -63.7 -45.7 51.9 12.8 19.0 54 71 A A H >< S+ 0 0 0 -4,-2.3 47,-2.8 1,-0.2 3,-1.2 0.934 112.8 49.4 -60.7 -46.6 49.8 15.9 19.4 55 72 A T H 3< S+ 0 0 52 -4,-2.6 3,-0.3 1,-0.3 -1,-0.2 0.887 121.6 34.6 -58.7 -38.0 48.4 14.5 22.7 56 73 A H T >X S+ 0 0 58 -4,-2.3 3,-1.8 1,-0.2 4,-1.6 -0.058 75.5 129.7-109.5 31.6 51.9 13.7 24.0 57 74 A A H <> + 0 0 0 -3,-1.2 4,-2.8 1,-0.3 43,-0.2 0.789 64.2 68.2 -59.8 -28.8 53.9 16.6 22.5 58 75 A R H 34 S+ 0 0 147 41,-2.1 -1,-0.3 -3,-0.3 42,-0.1 0.801 109.2 38.5 -62.4 -26.9 55.5 17.5 25.8 59 76 A L H <> S+ 0 0 35 -3,-1.8 4,-0.9 40,-0.2 -1,-0.2 0.831 118.7 46.5 -85.0 -40.9 57.3 14.1 25.5 60 77 A V H X S+ 0 0 0 -4,-1.6 4,-2.6 -7,-0.3 3,-0.2 0.922 102.7 60.7 -73.4 -47.3 58.0 14.3 21.7 61 78 A E H X S+ 0 0 17 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.891 107.2 43.3 -53.1 -51.4 59.3 17.8 21.4 62 79 A P H > S+ 0 0 25 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.843 112.0 55.8 -65.6 -28.8 62.3 17.4 23.7 63 80 A A H X S+ 0 0 0 -4,-0.9 4,-2.3 -3,-0.2 -2,-0.2 0.934 110.1 45.3 -62.3 -46.8 63.1 14.0 22.1 64 81 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.923 110.4 53.2 -62.8 -45.3 63.2 15.7 18.7 65 82 A R H X S+ 0 0 69 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.912 109.1 50.9 -54.5 -42.3 65.3 18.6 20.1 66 83 A E H X S+ 0 0 42 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.923 108.1 51.4 -62.3 -46.8 67.8 15.9 21.4 67 84 A L H X S+ 0 0 19 -4,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.906 113.5 44.5 -54.1 -45.3 68.0 14.2 18.0 68 85 A V H X S+ 0 0 7 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.813 106.4 60.8 -72.5 -28.2 68.8 17.6 16.3 69 86 A R H < S+ 0 0 130 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.853 102.2 53.5 -64.0 -36.6 71.3 18.4 19.1 70 87 A T H < S+ 0 0 95 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.900 114.0 40.9 -62.0 -43.5 73.2 15.3 18.1 71 88 A V H < S+ 0 0 86 -4,-1.2 -2,-0.2 1,-0.2 -1,-0.2 0.842 133.1 20.8 -75.4 -34.9 73.3 16.5 14.5 72 89 A A >< + 0 0 7 -4,-2.7 3,-0.8 -5,-0.1 -1,-0.2 -0.603 53.8 163.3-139.7 78.0 74.0 20.2 15.4 73 90 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.661 76.6 75.5 -63.6 -10.0 75.5 20.9 18.9 74 91 A D T 3 S+ 0 0 141 -3,-0.1 2,-0.2 -5,-0.1 -5,-0.1 0.871 93.5 41.6 -67.3 -45.9 76.3 24.3 17.2 75 92 A V S < S- 0 0 60 -3,-0.8 -3,-0.1 1,-0.1 -42,-0.0 -0.635 93.7 -86.4-113.8 161.3 72.9 25.9 17.2 76 93 A E - 0 0 137 -2,-0.2 2,-0.5 1,-0.1 -1,-0.1 -0.516 51.9-120.9 -61.1 122.7 69.8 26.4 19.4 77 94 A P - 0 0 28 0, 0.0 2,-0.4 0, 0.0 -12,-0.1 -0.580 37.4-178.6 -75.5 120.2 67.6 23.3 18.7 78 95 A R - 0 0 77 -2,-0.5 -40,-2.9 -42,-0.2 2,-0.4 -0.979 8.6-169.7-124.6 136.3 64.2 24.3 17.4 79 96 A V E -a 38 0A 2 -2,-0.4 2,-0.4 -42,-0.2 -40,-0.2 -0.970 1.8-172.5-125.4 136.0 61.3 22.1 16.5 80 97 A R E -a 39 0A 29 -42,-2.7 -40,-2.6 -2,-0.4 2,-0.4 -0.948 10.6-148.8-125.4 148.8 58.1 23.0 14.7 81 98 A F E -a 40 0A 0 -2,-0.4 2,-0.3 -42,-0.2 -40,-0.2 -0.952 14.1-174.9-116.1 139.9 55.0 21.0 14.1 82 99 A R E +a 41 0A 96 -42,-2.6 -40,-2.8 -2,-0.4 -39,-0.2 -0.881 57.9 36.5-123.4 159.2 52.7 21.4 11.0 83 100 A G - 0 0 11 -2,-0.3 -1,-0.2 -42,-0.2 3,-0.1 0.885 68.0-165.2 71.0 43.7 49.4 19.8 10.1 84 101 A L - 0 0 5 -3,-0.2 -1,-0.2 1,-0.1 5,-0.1 -0.351 31.5-102.6 -52.9 131.4 47.7 19.5 13.5 85 102 A P > - 0 0 32 0, 0.0 3,-2.2 0, 0.0 4,-0.3 -0.319 39.9-106.3 -53.0 147.2 44.7 17.1 13.4 86 103 A H G > S+ 0 0 151 1,-0.3 3,-1.4 2,-0.2 -2,-0.1 0.772 115.4 60.2 -56.0 -35.3 41.5 19.2 13.3 87 104 A R G 3 S+ 0 0 156 1,-0.3 -1,-0.3 15,-0.0 -3,-0.0 0.653 101.0 55.6 -69.1 -16.7 40.5 18.6 17.0 88 105 A F G < S+ 0 0 0 -3,-2.2 15,-2.2 14,-0.1 3,-0.4 0.435 92.4 93.5 -93.1 -1.1 43.7 20.2 18.3 89 106 A R S < S+ 0 0 85 -3,-1.4 3,-0.1 -4,-0.3 15,-0.1 -0.726 91.9 2.1 -99.0 144.2 43.1 23.5 16.4 90 107 A R S S- 0 0 111 -2,-0.3 14,-0.2 1,-0.2 -1,-0.2 0.902 82.9-160.1 50.2 50.2 41.4 26.6 17.8 91 108 A V - 0 0 16 12,-2.5 14,-0.3 -3,-0.4 3,-0.2 -0.408 15.1-162.2 -66.0 127.7 41.0 25.0 21.2 92 109 A E S S+ 0 0 127 1,-0.3 2,-0.3 -2,-0.2 34,-0.2 0.691 82.5 33.2 -86.5 -21.3 38.3 26.8 23.2 93 110 A R - 0 0 151 1,-0.1 -1,-0.3 33,-0.0 4,-0.2 -0.892 64.7-179.0-138.1 104.7 39.4 25.4 26.6 94 111 A I > + 0 0 7 -2,-0.3 3,-1.4 -3,-0.2 59,-0.2 0.759 65.5 76.2 -80.9 -26.3 43.1 24.8 27.1 95 112 A R G > S+ 0 0 197 1,-0.3 3,-1.3 2,-0.2 58,-0.2 0.890 93.1 51.1 -58.9 -44.4 43.4 23.4 30.6 96 113 A P G 3 S+ 0 0 110 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.695 101.9 66.8 -66.0 -14.2 42.2 19.8 29.8 97 114 A M G X S+ 0 0 32 -3,-1.4 3,-2.4 -4,-0.2 53,-0.4 0.089 70.9 155.7 -91.2 22.0 44.8 19.8 27.0 98 115 A D T < + 0 0 88 -3,-1.3 53,-0.2 1,-0.3 3,-0.1 -0.210 69.0 15.4 -54.4 136.7 47.8 19.8 29.4 99 116 A G T 3 S+ 0 0 11 51,-2.5 -41,-2.1 1,-0.3 -1,-0.3 0.214 105.0 118.6 87.3 -12.3 50.9 18.4 27.7 100 117 A A < - 0 0 3 -3,-2.4 50,-2.2 -43,-0.2 2,-0.5 -0.534 68.1-118.9 -95.7 150.2 49.4 18.6 24.2 101 118 A L E +B 149 0B 0 -47,-2.8 2,-0.3 48,-0.2 48,-0.2 -0.749 52.5 150.7 -79.1 126.5 50.3 20.4 21.0 102 119 A I E -B 148 0B 0 46,-2.6 46,-2.4 -2,-0.5 2,-0.4 -0.922 39.3-129.5-144.7 167.6 47.4 22.8 20.1 103 120 A S E -B 147 0B 1 -15,-2.2 -12,-2.5 -2,-0.3 2,-0.3 -0.955 17.2-165.9-118.2 149.8 46.6 26.0 18.4 104 121 A I E -B 146 0B 0 42,-2.1 42,-2.6 -2,-0.4 2,-0.4 -0.910 3.7-160.7-118.4 158.2 44.5 28.9 19.9 105 122 A E E +B 145 0B 39 -2,-0.3 2,-0.3 -14,-0.3 40,-0.2 -0.990 34.8 85.7-140.2 132.3 43.1 31.8 18.0 106 123 A G E -B 144 0B 8 38,-2.0 38,-2.7 -2,-0.4 2,-0.4 -0.986 68.2 -43.0 173.9-158.3 41.9 35.2 19.3 107 124 A V E -BC 143 123B 21 16,-1.9 16,-2.9 -2,-0.3 2,-0.5 -0.809 48.5-121.4-103.8 131.5 42.6 38.8 20.3 108 125 A V E + C 0 122B 0 34,-2.6 33,-3.3 -2,-0.4 14,-0.2 -0.591 28.4 179.6 -72.8 119.5 45.6 39.7 22.3 109 126 A R E - 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0 0 93 -2,-0.1 4,-3.4 1,-0.0 5,-0.3 -0.316 41.0 -87.6 -81.0 174.9 30.3 26.4 0.5 173 190 A P H > S+ 0 0 111 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.878 128.4 49.6 -56.4 -40.8 28.3 26.4 -2.8 174 191 A A H > S+ 0 0 69 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.909 115.9 42.0 -64.3 -43.7 24.9 26.5 -1.1 175 192 A E H > S+ 0 0 24 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.926 111.7 54.4 -70.7 -43.5 25.9 29.4 1.2 176 193 A L H X S+ 0 0 73 -4,-3.4 4,-2.6 1,-0.2 -2,-0.2 0.899 107.8 52.6 -52.5 -40.6 27.6 31.2 -1.6 177 194 A E H X S+ 0 0 104 -4,-2.1 4,-2.3 -5,-0.3 -1,-0.2 0.912 107.5 49.8 -61.5 -44.5 24.3 30.9 -3.5 178 195 A E H X S+ 0 0 93 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.921 110.8 51.5 -58.3 -45.4 22.4 32.4 -0.5 179 196 A F H X S+ 0 0 1 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.932 109.1 48.9 -57.1 -49.5 25.0 35.3 -0.5 180 197 A R H X S+ 0 0 109 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.905 111.3 50.4 -61.9 -39.8 24.5 35.9 -4.2 181 198 A E H X S+ 0 0 90 -4,-2.3 4,-1.2 2,-0.2 -1,-0.2 0.910 110.6 49.0 -62.1 -43.1 20.7 35.9 -3.8 182 199 A L H >< S+ 0 0 6 -4,-2.5 3,-0.9 1,-0.2 -2,-0.2 0.957 110.2 51.8 -61.3 -49.8 21.0 38.4 -0.9 183 200 A A H 3< S+ 0 0 10 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.848 107.8 52.1 -51.9 -41.6 23.3 40.7 -3.0 184 201 A D H 3< S+ 0 0 125 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.757 109.9 53.6 -69.9 -26.4 20.8 40.7 -6.0 185 202 A K S << S- 0 0 146 -4,-1.2 -3,-0.1 -3,-0.9 3,-0.1 0.676 116.6 -66.8 -77.9-125.1 17.9 41.8 -3.8 186 203 A D > + 0 0 79 1,-0.1 4,-1.6 2,-0.0 -3,-0.1 -0.773 53.9 169.4-132.8 82.7 17.8 44.8 -1.5 187 204 A P H > S+ 0 0 4 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.830 73.1 63.2 -68.6 -28.6 20.3 43.9 1.2 188 205 A L H > S+ 0 0 5 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.950 105.8 43.7 -59.1 -49.9 20.3 47.5 2.6 189 206 A T H > S+ 0 0 31 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.910 113.0 53.1 -61.5 -41.9 16.6 47.2 3.6 190 207 A T H X S+ 0 0 39 -4,-1.6 4,-1.8 1,-0.2 -2,-0.2 0.935 113.8 40.9 -57.0 -51.3 17.1 43.7 5.0 191 208 A F H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.899 113.1 55.4 -66.4 -38.7 20.0 44.8 7.3 192 209 A A H X S+ 0 0 1 -4,-2.6 4,-2.6 -5,-0.3 -2,-0.2 0.895 110.7 44.2 -61.2 -43.9 18.2 48.1 8.2 193 210 A R H < S+ 0 0 123 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.854 110.3 55.5 -70.8 -34.5 15.1 46.2 9.4 194 211 A A H < S+ 0 0 14 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.922 115.7 38.9 -60.5 -42.5 17.3 43.6 11.2 195 212 A I H < S+ 0 0 0 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.903 135.1 11.1 -75.6 -45.4 19.0 46.5 13.1 196 213 A A < + 0 0 8 -4,-2.6 9,-0.3 -5,-0.2 -1,-0.2 -0.682 62.7 164.1-143.6 80.8 16.1 48.8 13.8 197 214 A P + 0 0 93 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.484 39.9 115.0 -82.0 -4.2 12.6 47.4 13.1 198 215 A L S > S- 0 0 109 1,-0.1 3,-2.1 3,-0.1 -2,-0.0 -0.349 80.8 -88.8 -69.4 144.7 10.6 50.0 15.0 199 216 A P T 3 S+ 0 0 130 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.242 113.5 19.3 -50.2 138.5 8.2 52.3 13.1 200 217 A G T 3 S+ 0 0 72 -3,-0.1 3,-0.3 1,-0.1 4,-0.2 0.283 95.0 103.3 85.7 -8.9 10.0 55.4 11.9 201 218 A A <> + 0 0 19 -3,-2.1 4,-2.7 1,-0.2 5,-0.2 0.103 40.7 113.3 -96.8 23.3 13.5 54.0 12.3 202 219 A E H > S+ 0 0 51 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.921 79.9 40.4 -59.4 -54.8 14.2 53.4 8.5 203 220 A E H > S+ 0 0 27 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.885 114.9 53.7 -62.9 -41.6 16.9 55.9 7.9 204 221 A V H > S+ 0 0 6 -4,-0.2 4,-2.3 1,-0.2 5,-0.2 0.950 109.1 48.6 -59.1 -50.7 18.5 55.1 11.3 205 222 A G H X S+ 0 0 0 -4,-2.7 4,-2.5 -9,-0.3 -1,-0.2 0.878 110.9 50.9 -55.0 -42.9 18.6 51.4 10.3 206 223 A K H X S+ 0 0 40 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.918 109.0 50.9 -65.1 -43.3 20.2 52.2 6.9 207 224 A M H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.926 114.3 43.2 -57.1 -49.5 22.9 54.3 8.5 208 225 A L H X S+ 0 0 1 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.851 111.6 54.9 -67.7 -37.8 23.8 51.6 11.0 209 226 A A H X S+ 0 0 0 -4,-2.5 4,-1.6 -5,-0.2 -2,-0.2 0.961 111.4 43.9 -56.8 -51.1 23.6 48.9 8.2 210 227 A L H < S+ 0 0 0 -4,-2.5 4,-0.2 1,-0.2 -2,-0.2 0.873 107.8 59.8 -68.0 -34.3 26.1 50.8 6.1 211 228 A Q H >< S+ 0 0 0 -4,-2.1 3,-1.9 -5,-0.2 12,-0.4 0.946 103.0 52.2 -54.7 -45.5 28.3 51.5 9.1 212 229 A L H >< S+ 0 0 1 -4,-2.0 3,-1.5 1,-0.3 -2,-0.2 0.922 107.4 52.9 -55.0 -42.5 28.7 47.7 9.6 213 230 A F T 3< S+ 0 0 0 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.378 99.9 63.6 -77.9 4.9 29.8 47.5 5.9 214 231 A S T < + 0 0 0 -3,-1.9 2,-2.1 -4,-0.2 -1,-0.3 0.353 67.7 118.7-103.5 1.4 32.4 50.2 6.5 215 232 A C < + 0 0 2 -3,-1.5 2,-0.3 -4,-0.2 71,-0.1 -0.456 42.7 126.9 -72.1 78.6 34.4 48.0 9.0 216 233 A V - 0 0 8 -2,-2.1 6,-0.2 2,-0.2 68,-0.2 -0.911 68.5-116.1-134.0 162.3 37.7 47.7 7.1 217 234 A G S S+ 0 0 37 -2,-0.3 2,-0.2 67,-0.1 -1,-0.1 0.864 83.6 102.1 -64.9 -40.6 41.4 48.4 7.8 218 235 A K S > S- 0 0 82 1,-0.1 3,-2.0 162,-0.1 4,-0.5 -0.290 73.6-139.0 -53.1 114.6 41.8 51.2 5.3 219 236 A N G > S+ 0 0 78 1,-0.3 3,-0.8 -2,-0.2 -1,-0.1 0.795 93.7 50.9 -52.2 -46.3 41.7 54.3 7.5 220 237 A S G 3 S+ 0 0 54 1,-0.2 -1,-0.3 89,-0.1 -2,-0.1 0.411 100.1 68.9 -77.0 1.7 39.6 56.6 5.4 221 238 A E G < S+ 0 0 0 -3,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.709 71.0 100.1 -93.2 -28.6 36.7 54.0 4.9 222 239 A R < - 0 0 2 -3,-0.8 2,-0.4 -4,-0.5 -7,-0.1 -0.398 60.9-141.1 -75.6 140.6 35.2 53.6 8.4 223 240 A L - 0 0 0 -12,-0.4 2,-0.4 -13,-0.1 -9,-0.1 -0.810 6.7-156.1-103.1 140.2 31.9 55.4 9.3 224 241 A H - 0 0 8 -2,-0.4 130,-1.8 100,-0.2 131,-1.4 -0.962 13.5-172.4-118.7 129.6 31.2 57.0 12.7 225 242 A V E -ij 326 355C 0 100,-2.6 102,-2.5 -2,-0.4 2,-0.5 -0.973 13.3-156.2-129.5 132.4 27.6 57.4 13.7 226 243 A L E -ij 327 356C 0 129,-2.5 131,-3.2 -2,-0.4 2,-0.5 -0.959 10.0-153.5-109.0 119.9 26.0 59.2 16.7 227 244 A L E -ij 328 357C 0 100,-2.9 102,-2.7 -2,-0.5 2,-0.6 -0.816 8.1-165.0 -86.7 125.0 22.6 58.0 17.8 228 245 A A E +ij 329 358C 4 129,-3.1 131,-2.2 -2,-0.5 2,-0.3 -0.908 41.9 90.7-115.5 103.6 20.7 60.8 19.6 229 246 A G S S- 0 0 7 100,-1.6 131,-0.0 -2,-0.6 -2,-0.0 -0.921 77.4 -36.4-164.6-170.2 17.6 59.5 21.5 230 247 A Y > - 0 0 184 -2,-0.3 4,-2.0 100,-0.1 5,-0.2 -0.365 58.3-116.9 -64.5 145.6 16.3 58.2 24.8 231 248 A P H > S+ 0 0 46 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.858 105.9 51.8 -52.1 -52.1 18.7 56.0 26.8 232 249 A V H > S+ 0 0 114 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.912 113.7 41.4 -57.1 -50.1 16.8 52.7 26.8 233 250 A V H > S+ 0 0 45 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.902 115.4 50.3 -71.3 -38.3 16.2 52.5 23.1 234 251 A C H X S+ 0 0 2 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.909 111.0 49.8 -65.6 -40.4 19.7 53.7 22.1 235 252 A S H X S+ 0 0 20 -4,-2.7 4,-2.6 -5,-0.2 5,-0.2 0.902 108.4 52.2 -64.6 -42.2 21.3 51.1 24.5 236 253 A E H X S+ 0 0 105 -4,-2.0 4,-2.5 -5,-0.2 -1,-0.2 0.910 110.5 49.3 -59.2 -43.3 19.2 48.3 23.0 237 254 A I H X S+ 0 0 12 -4,-2.0 4,-2.9 2,-0.2 5,-0.2 0.967 112.0 46.5 -61.0 -53.2 20.3 49.3 19.5 238 255 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.918 116.2 45.3 -56.0 -47.1 24.0 49.4 20.4 239 256 A H H X S+ 0 0 70 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.895 112.3 52.6 -63.6 -41.8 23.8 46.0 22.2 240 257 A H H X S+ 0 0 21 -4,-2.5 4,-2.4 -5,-0.2 5,-0.5 0.951 110.3 46.6 -58.0 -51.9 21.8 44.5 19.4 241 258 A V H X>S+ 0 0 1 -4,-2.9 5,-2.8 1,-0.2 4,-2.0 0.943 117.9 42.5 -57.6 -50.9 24.3 45.5 16.7 242 259 A L H <5S+ 0 0 26 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.846 117.9 45.0 -65.5 -36.7 27.3 44.3 18.8 243 260 A D H <5S+ 0 0 102 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.860 129.2 17.8 -76.8 -34.9 25.6 41.1 19.9 244 261 A H H <5S+ 0 0 78 -4,-2.4 125,-0.2 -5,-0.2 -3,-0.2 0.574 132.5 20.0-118.5 -17.1 24.1 39.9 16.7 245 262 A L T <5S+ 0 0 0 -4,-2.0 -3,-0.2 -5,-0.5 -4,-0.1 0.704 82.8 104.2-129.4 -38.3 25.7 41.6 13.7 246 263 A A < - 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