==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN BINDING 27-JAN-13 4IXO . COMPND 2 MOLECULE: NIFS-LIKE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: RICKETTSIA AFRICAE; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 722 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26186.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 513 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 6.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 58 8.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 2 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 . 46 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 91 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 230 31.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 2.4 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 6 2 0 0 0 2 8 0 0 0 2 0 2 0 0 2 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 4 4 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 . 8 2 0 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 2 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 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 0 123 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -33.3 56.5 23.1 57.6 2 1 A M - 0 0 74 309,-0.1 2,-0.6 1,-0.1 309,-0.2 -0.418 360.0-159.0 -67.1 121.4 53.7 25.8 57.4 3 2 A I E -a 311 0A 28 307,-3.0 309,-2.7 -2,-0.3 2,-0.6 -0.895 2.3-154.3-106.0 120.8 51.9 25.5 54.0 4 3 A Y E +a 312 0A 18 -2,-0.6 309,-0.1 307,-0.2 3,-0.1 -0.851 29.6 155.2-106.1 115.5 50.0 28.6 52.9 5 4 A L + 0 0 0 307,-2.4 333,-2.5 -2,-0.6 309,-0.2 -0.220 51.2 90.8-129.6 40.3 47.1 27.9 50.5 6 5 A D B >> +b 338 0B 0 331,-0.2 3,-1.7 307,-0.2 4,-0.9 -0.312 38.1 143.1-131.4 42.2 45.0 31.1 51.3 7 6 A H T 34 + 0 0 4 331,-2.0 332,-0.1 1,-0.3 -1,-0.1 0.680 63.2 67.0 -68.8 -14.6 46.3 33.5 48.7 8 7 A N T 34 S+ 0 0 2 1,-0.2 -1,-0.3 -3,-0.1 3,-0.1 0.726 98.7 53.1 -76.8 -18.3 42.9 35.1 48.1 9 8 A A T <4 S- 0 0 11 -3,-1.7 2,-0.3 1,-0.4 -1,-0.2 0.820 134.8 -48.9 -81.0 -35.2 43.0 36.5 51.6 10 9 A T < - 0 0 3 -4,-0.9 -1,-0.4 187,-0.1 2,-0.3 -0.864 55.2-144.1 177.0 164.1 46.4 38.1 51.0 11 10 A T - 0 0 10 185,-0.9 379,-0.3 -2,-0.3 190,-0.2 -0.912 29.9 -89.3-138.8 169.3 49.7 37.0 49.7 12 11 A F - 0 0 45 -2,-0.3 2,-0.3 1,-0.1 377,-0.1 -0.359 49.4 -89.3 -82.4 161.3 53.3 37.8 50.6 13 12 A I - 0 0 10 373,-0.8 187,-0.2 375,-0.3 -1,-0.1 -0.494 47.1-111.0 -68.1 125.1 55.4 40.6 49.1 14 13 A D > - 0 0 20 185,-2.3 4,-2.8 -2,-0.3 3,-0.2 -0.348 25.2-122.1 -54.8 135.3 57.2 39.5 46.0 15 14 A P H > S+ 0 0 84 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.877 113.8 49.8 -51.1 -43.1 61.0 39.4 46.7 16 15 A R H > S+ 0 0 115 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.903 112.3 47.9 -63.2 -38.4 61.7 41.8 43.9 17 16 A V H > S+ 0 0 0 2,-0.2 4,-2.6 -3,-0.2 -1,-0.2 0.900 110.4 52.8 -66.1 -39.6 59.0 44.2 45.3 18 17 A K H X S+ 0 0 46 -4,-2.8 4,-2.9 1,-0.2 -2,-0.2 0.933 108.1 49.6 -59.5 -50.3 60.5 43.8 48.8 19 18 A E H X S+ 0 0 143 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.885 111.9 49.1 -57.6 -42.4 64.0 44.7 47.6 20 19 A F H X S+ 0 0 69 -4,-1.9 4,-0.9 2,-0.2 -1,-0.2 0.938 111.6 47.8 -65.7 -46.3 62.6 47.8 45.8 21 20 A I H >< S+ 0 0 16 -4,-2.6 3,-1.0 1,-0.2 4,-0.4 0.932 110.7 52.1 -59.9 -44.3 60.6 48.9 48.9 22 21 A I H >< S+ 0 0 43 -4,-2.9 3,-1.6 1,-0.2 4,-0.2 0.894 102.1 60.1 -61.2 -37.2 63.6 48.4 51.2 23 22 A S H 3< S+ 0 0 75 -4,-1.9 3,-0.3 1,-0.3 -1,-0.2 0.761 109.3 43.5 -63.7 -25.6 65.8 50.6 48.8 24 23 A L T X< S+ 0 0 7 -3,-1.0 3,-1.5 -4,-0.9 -1,-0.3 0.421 86.3 98.1 -95.6 -1.0 63.4 53.5 49.4 25 24 A M T < S+ 0 0 3 -3,-1.6 349,-0.7 -4,-0.4 -1,-0.2 0.578 75.3 57.3 -76.8 -10.3 63.0 53.1 53.2 26 25 A D T 3 S+ 0 0 99 -3,-0.3 -1,-0.3 -4,-0.2 2,-0.2 0.488 92.5 98.6 -90.8 -2.1 65.6 55.7 54.4 27 26 A K S < S- 0 0 85 -3,-1.5 2,-0.6 346,-0.1 347,-0.4 -0.471 73.3-126.5 -92.6 154.5 63.9 58.5 52.5 28 27 A E - 0 0 26 -2,-0.2 2,-0.5 345,-0.1 13,-0.2 -0.886 33.8-170.5 -88.5 125.5 61.5 61.3 53.3 29 28 A L + 0 0 7 -2,-0.6 206,-0.3 343,-0.2 9,-0.1 -0.807 26.1 142.1-130.0 90.0 58.6 60.9 50.9 30 29 A N > - 0 0 15 -2,-0.5 3,-2.1 1,-0.1 12,-0.2 -0.874 29.0-164.1-126.5 103.9 55.9 63.6 50.6 31 30 A P T 3 S+ 0 0 13 0, 0.0 11,-0.1 0, 0.0 -1,-0.1 0.699 87.6 63.2 -56.2 -23.2 54.7 64.2 47.1 32 31 A S T 3 S+ 0 0 73 338,-0.1 2,-0.2 201,-0.1 7,-0.1 0.667 80.7 100.3 -77.0 -16.5 53.1 67.5 48.1 33 32 A S < - 0 0 19 -3,-2.1 9,-0.2 1,-0.1 8,-0.1 -0.505 66.3-147.4 -75.7 137.1 56.5 69.0 49.1 34 33 A A + 0 0 83 -2,-0.2 -1,-0.1 4,-0.1 641,-0.1 0.668 69.6 86.8 -77.8 -20.2 58.0 71.4 46.4 35 34 A H S > S- 0 0 15 639,-0.2 4,-2.4 1,-0.1 3,-0.2 -0.026 98.5 -83.9 -76.1-178.8 61.6 70.6 47.2 36 35 A S H > S+ 0 0 46 1,-0.3 4,-1.9 2,-0.2 5,-0.1 0.813 126.0 50.2 -60.8 -38.9 63.8 67.8 45.8 37 36 A S H > S+ 0 0 17 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.892 112.3 48.2 -63.9 -42.7 62.7 65.1 48.1 38 37 A G H > S+ 0 0 0 -3,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.881 110.6 50.9 -66.3 -39.6 59.1 65.8 47.5 39 38 A R H X S+ 0 0 127 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.853 108.3 52.9 -68.8 -36.0 59.6 65.8 43.7 40 39 A F H X S+ 0 0 85 -4,-1.9 4,-2.1 -5,-0.2 -2,-0.2 0.952 110.5 46.9 -61.3 -48.3 61.3 62.5 43.9 41 40 A A H X S+ 0 0 0 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.891 112.2 50.8 -58.6 -41.7 58.3 61.1 45.9 42 41 A K H X S+ 0 0 91 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.937 107.7 52.6 -64.6 -47.0 55.9 62.6 43.3 43 42 A N H X S+ 0 0 106 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.892 106.4 55.1 -56.6 -40.2 57.8 61.1 40.4 44 43 A L H X S+ 0 0 22 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.912 110.3 43.6 -54.9 -49.5 57.6 57.6 42.1 45 44 A I H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.869 112.6 51.5 -73.2 -32.8 53.8 57.8 42.3 46 45 A E H X S+ 0 0 62 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.899 108.4 53.2 -68.2 -37.2 53.4 59.1 38.8 47 46 A T H X S+ 0 0 67 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.924 110.5 47.3 -58.8 -44.3 55.6 56.2 37.5 48 47 A V H X S+ 0 0 3 -4,-2.0 4,-2.6 2,-0.2 5,-0.3 0.915 105.6 58.4 -62.5 -43.8 53.3 53.8 39.3 49 48 A R H X S+ 0 0 25 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.944 109.7 44.8 -53.7 -46.6 50.2 55.5 37.9 50 49 A A H X S+ 0 0 45 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.870 110.1 55.3 -65.4 -35.9 51.7 54.7 34.4 51 50 A Q H X S+ 0 0 52 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.893 109.7 45.9 -62.5 -40.1 52.5 51.2 35.5 52 51 A I H X S+ 0 0 0 -4,-2.6 4,-1.0 2,-0.2 -2,-0.2 0.921 111.9 52.3 -67.8 -43.6 48.9 50.5 36.5 53 52 A A H ><>S+ 0 0 2 -4,-2.1 5,-2.7 -5,-0.3 3,-1.2 0.946 110.0 47.5 -56.2 -52.1 47.6 52.1 33.3 54 53 A T H ><5S+ 0 0 105 -4,-2.5 3,-1.5 1,-0.3 -1,-0.2 0.883 108.7 55.5 -57.5 -42.4 49.8 49.9 31.1 55 54 A A H 3<5S+ 0 0 11 -4,-1.8 126,-0.4 1,-0.3 -1,-0.3 0.681 110.1 45.1 -62.8 -25.5 48.7 46.8 33.1 56 55 A L T <<5S- 0 0 0 -3,-1.2 127,-1.9 -4,-1.0 128,-0.5 0.190 120.3-106.8-105.9 11.7 45.1 47.5 32.4 57 56 A G T < 5S+ 0 0 40 -3,-1.5 2,-0.3 1,-0.2 -3,-0.2 0.710 79.3 121.4 74.8 23.9 45.6 48.3 28.7 58 57 A I < - 0 0 17 -5,-2.7 2,-0.5 -6,-0.2 -1,-0.2 -0.819 55.2-138.3-124.6 161.2 45.2 52.0 29.0 59 58 A T > > - 0 0 61 -2,-0.3 3,-1.0 1,-0.1 5,-0.5 -0.968 6.5-156.3-124.7 115.9 47.3 55.1 28.2 60 59 A L G > 5S+ 0 0 56 -2,-0.5 3,-2.4 1,-0.3 5,-0.2 0.846 91.8 61.2 -66.5 -38.6 47.2 58.0 30.7 61 60 A S G 3 5S+ 0 0 122 1,-0.3 -1,-0.3 2,-0.1 -2,-0.0 0.745 92.0 69.5 -60.0 -24.2 48.2 60.8 28.3 62 61 A S G < 5S- 0 0 51 -3,-1.0 -1,-0.3 1,-0.1 -2,-0.2 0.707 96.4-146.0 -63.0 -19.8 45.0 59.8 26.4 63 62 A R T < 5 + 0 0 67 -3,-2.4 -3,-0.1 -4,-0.3 -2,-0.1 0.859 64.6 119.9 51.6 39.0 43.1 61.4 29.4 64 63 A E S - 0 0 4 131,-0.1 4,-1.8 130,-0.1 133,-0.2 -0.975 69.5-105.7-161.4 162.9 42.7 49.6 50.1 73 72 A G H > S+ 0 0 0 -2,-0.3 4,-2.5 2,-0.2 5,-0.2 0.862 120.4 58.2 -66.0 -35.5 40.4 47.8 47.7 74 73 A T H > S+ 0 0 2 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.925 105.5 49.4 -57.2 -45.0 37.7 48.2 50.3 75 74 A E H > S+ 0 0 2 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.911 110.0 50.1 -63.2 -44.4 38.2 52.0 50.2 76 75 A G H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.908 110.5 49.6 -62.1 -42.8 38.1 52.1 46.4 77 76 A N H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 5,-0.2 0.908 111.8 48.9 -59.4 -43.2 34.8 50.1 46.4 78 77 A N H X S+ 0 0 0 -4,-2.4 4,-2.8 -5,-0.2 5,-0.2 0.915 108.9 54.4 -62.6 -41.9 33.3 52.5 49.0 79 78 A L H X S+ 0 0 3 -4,-2.4 4,-1.3 2,-0.2 -2,-0.2 0.939 112.5 40.6 -60.9 -48.7 34.4 55.5 47.1 80 79 A I H < S+ 0 0 0 -4,-2.2 4,-0.3 1,-0.2 -1,-0.2 0.919 115.7 51.0 -68.3 -41.1 32.7 54.5 43.8 81 80 A M H >< S+ 0 0 0 -4,-2.3 3,-2.0 1,-0.2 4,-0.2 0.931 108.7 50.6 -61.1 -45.2 29.5 53.2 45.6 82 81 A K H >< S+ 0 0 74 -4,-2.8 3,-1.1 1,-0.3 4,-0.3 0.816 100.0 66.0 -66.6 -26.6 29.0 56.4 47.6 83 82 A N T 3< S+ 0 0 12 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.628 107.1 41.1 -67.0 -12.1 29.3 58.3 44.4 84 83 A F T X S+ 0 0 0 -3,-2.0 3,-2.0 -4,-0.3 -1,-0.2 0.234 76.4 105.8-121.6 14.7 26.1 56.7 43.2 85 84 A Y T < S+ 0 0 48 -3,-1.1 23,-0.3 1,-0.3 -2,-0.1 0.868 81.9 57.9 -58.2 -32.9 23.9 56.8 46.4 86 85 A D T 3 S+ 0 0 119 -4,-0.3 -1,-0.3 -3,-0.1 2,-0.2 0.338 113.8 39.8 -80.1 5.6 22.0 59.6 44.7 87 86 A G S < S- 0 0 2 -3,-2.0 2,-0.5 21,-0.1 21,-0.4 -0.601 104.5 -67.6-128.8-161.5 21.2 57.3 41.7 88 87 A D E -g 137 0C 23 48,-2.1 50,-2.5 -2,-0.2 2,-0.4 -0.832 45.2-162.4 -97.6 130.2 20.2 53.7 41.1 89 88 A I E -gh 138 109C 1 19,-2.6 21,-2.3 -2,-0.5 2,-0.4 -0.914 6.8-169.9-114.7 140.2 22.8 51.0 41.9 90 89 A F E +gh 139 110C 5 48,-2.7 50,-3.0 -2,-0.4 2,-0.3 -0.998 11.7 176.6-129.7 124.8 22.7 47.4 40.7 91 90 A I E -gh 140 111C 0 19,-2.4 21,-3.6 -2,-0.4 50,-0.2 -0.909 32.1-104.6-128.6 153.0 25.1 44.8 42.2 92 91 A S E > - h 0 112C 0 48,-1.3 3,-1.1 -2,-0.3 21,-0.2 -0.374 31.4-117.7 -71.0 159.9 25.6 41.0 41.7 93 92 A A T 3 S+ 0 0 4 19,-1.6 230,-0.2 1,-0.2 -1,-0.1 0.527 111.2 53.9 -70.5 -6.2 24.4 38.7 44.5 94 93 A I T 3 S+ 0 0 0 18,-0.2 -1,-0.2 24,-0.1 226,-0.1 0.128 75.0 138.9-121.2 23.9 28.0 37.6 45.0 95 94 A E < - 0 0 0 -3,-1.1 224,-0.1 1,-0.1 225,-0.1 -0.207 62.6 -95.5 -65.0 155.5 29.9 40.8 45.5 96 95 A H >> - 0 0 29 1,-0.1 4,-2.8 4,-0.1 3,-2.1 -0.351 44.3-104.5 -58.6 152.0 32.7 41.2 48.1 97 96 A L H 3> S+ 0 0 60 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.815 118.5 71.1 -55.2 -29.9 31.3 42.7 51.3 98 97 A S H 34 S+ 0 0 0 1,-0.2 -1,-0.3 2,-0.2 483,-0.2 0.684 116.7 22.4 -61.4 -19.0 32.9 46.1 50.5 99 98 A I H X4 S+ 0 0 0 -3,-2.1 3,-1.5 2,-0.1 -2,-0.2 0.706 122.7 56.7-104.6 -47.0 30.2 46.4 47.7 100 99 A Y H >< S+ 0 0 34 -4,-2.8 3,-2.1 1,-0.3 -3,-0.2 0.863 96.7 61.3 -57.4 -42.5 27.6 44.1 49.0 101 100 A N G >< S+ 0 0 39 -4,-2.6 3,-1.9 1,-0.3 -1,-0.3 0.614 79.5 84.4 -70.1 -8.6 27.0 45.7 52.4 102 101 A H G X> + 0 0 0 -3,-1.5 4,-2.6 1,-0.3 3,-1.6 0.612 68.9 83.4 -64.3 -10.2 25.9 48.9 50.7 103 102 A I G <4 S+ 0 0 63 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.829 89.0 53.9 -56.8 -28.8 22.5 47.2 50.6 104 103 A N G <4 S+ 0 0 113 -3,-1.9 -1,-0.2 -4,-0.1 -2,-0.2 0.406 122.7 22.7 -86.0 -0.3 22.2 48.5 54.2 105 104 A Y T <4 S+ 0 0 125 -3,-1.6 -2,-0.2 -4,-0.1 -3,-0.1 0.649 91.9 93.8-133.0 -42.0 23.0 52.2 53.4 106 105 A A < - 0 0 10 -4,-2.6 3,-0.4 1,-0.1 -21,-0.1 -0.388 64.6-139.2 -66.5 137.8 22.3 53.1 49.8 107 106 A P S S+ 0 0 87 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.843 92.9 24.0 -64.2 -36.4 18.8 54.6 49.2 108 107 A N S S+ 0 0 95 -21,-0.4 -19,-2.6 -23,-0.3 2,-0.4 -0.772 79.6 140.6-137.9 90.4 18.2 52.8 45.9 109 108 A I E -h 89 0C 25 -3,-0.4 2,-0.4 -2,-0.4 -19,-0.2 -0.997 24.8-167.6-135.5 134.8 20.2 49.6 45.4 110 109 A K E -h 90 0C 127 -21,-2.3 -19,-2.4 -2,-0.4 2,-0.5 -0.951 17.9-131.0-125.9 145.0 19.0 46.3 43.8 111 110 A V E -h 91 0C 52 -2,-0.4 2,-0.5 -21,-0.2 -19,-0.2 -0.843 15.0-143.6 -99.8 124.9 20.7 42.9 43.8 112 111 A I E -h 92 0C 0 -21,-3.6 -19,-1.6 -2,-0.5 -18,-0.2 -0.736 26.6-124.7 -89.1 128.9 21.0 41.0 40.5 113 112 A S - 0 0 46 -2,-0.5 8,-2.6 -21,-0.2 2,-0.3 -0.194 18.0-149.3 -75.6 158.6 20.6 37.3 41.0 114 113 A V B -L 120 0D 17 209,-0.5 6,-0.2 6,-0.2 2,-0.1 -0.888 16.6-117.3-118.3 158.4 23.0 34.5 40.0 115 114 A N > - 0 0 76 4,-2.3 3,-2.3 -2,-0.3 -1,-0.0 -0.230 46.6 -83.1 -81.2-176.8 22.3 31.0 38.9 116 115 A T T 3 S+ 0 0 107 1,-0.3 164,-0.3 2,-0.1 208,-0.1 0.613 131.5 53.1 -71.7 -10.5 23.4 27.8 40.8 117 116 A Q T 3 S- 0 0 37 2,-0.1 -1,-0.3 162,-0.1 166,-0.1 0.292 121.4-106.5 -99.1 6.2 26.9 28.1 39.1 118 117 A G S < S+ 0 0 0 -3,-2.3 2,-0.4 1,-0.3 -2,-0.1 0.595 70.9 142.1 84.8 9.1 27.3 31.7 40.2 119 118 A L - 0 0 57 1,-0.1 -4,-2.3 205,-0.1 -1,-0.3 -0.708 56.1-108.5 -89.7 136.0 26.7 33.4 36.9 120 119 A V B -L 114 0D 12 -2,-0.4 2,-1.0 -6,-0.2 -6,-0.2 -0.344 27.4-120.7 -61.3 136.3 24.8 36.7 36.8 121 120 A D > - 0 0 63 -8,-2.6 4,-2.1 1,-0.2 -8,-0.1 -0.717 25.7-168.8 -83.0 103.7 21.4 36.5 35.3 122 121 A L H > S+ 0 0 57 -2,-1.0 4,-2.3 1,-0.2 -1,-0.2 0.813 84.6 55.8 -69.3 -30.8 21.6 38.9 32.3 123 122 A E H > S+ 0 0 159 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.898 108.4 48.3 -65.5 -39.7 17.9 38.9 31.7 124 123 A H H > S+ 0 0 41 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.899 109.1 54.1 -67.5 -38.0 17.3 39.9 35.3 125 124 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.937 110.3 46.1 -57.3 -49.0 19.9 42.7 34.9 126 125 A E H X S+ 0 0 61 -4,-2.3 4,-3.0 2,-0.2 5,-0.2 0.932 111.2 52.2 -59.3 -50.4 18.0 44.0 31.8 127 126 A E H X S+ 0 0 101 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.935 111.4 47.1 -49.5 -52.3 14.7 43.9 33.6 128 127 A L H X S+ 0 0 19 -4,-2.7 4,-0.8 1,-0.2 -1,-0.2 0.911 114.0 46.7 -59.7 -44.3 16.2 45.9 36.5 129 128 A L H >< S+ 0 0 2 -4,-2.4 3,-0.5 1,-0.2 -1,-0.2 0.872 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62.3 376 14 B P H > S+ 0 0 84 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.877 113.9 49.6 -51.5 -41.6 66.2 52.6 61.7 377 15 B R H > S+ 0 0 129 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.903 112.0 48.2 -62.0 -41.1 64.8 50.3 64.5 378 16 B V H > S+ 0 0 0 -3,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.906 110.2 52.7 -65.8 -39.8 61.4 50.6 63.0 379 17 B K H X S+ 0 0 44 -4,-2.8 4,-2.8 2,-0.2 -2,-0.2 0.935 108.6 48.8 -59.1 -50.2 62.8 49.8 59.5 380 18 B E H X S+ 0 0 63 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.890 112.4 49.6 -59.4 -40.6 64.5 46.6 60.8 381 19 B F H X S+ 0 0 69 -4,-2.0 4,-0.9 2,-0.2 -2,-0.2 0.942 111.5 47.4 -66.5 -45.3 61.3 45.5 62.5 382 20 B I H >< S+ 0 0 16 -4,-2.7 3,-1.0 1,-0.2 4,-0.4 0.930 111.5 51.6 -60.1 -44.8 59.1 46.1 59.3 383 21 B I H >< S+ 0 0 41 -4,-2.8 3,-1.6 1,-0.3 4,-0.2 0.887 102.5 59.5 -62.3 -37.3 61.7 44.3 57.2 384 22 B S H 3< S+ 0 0 78 -4,-1.9 3,-0.3 1,-0.3 -1,-0.3 0.751 109.3 44.7 -63.4 -25.3 61.6 41.2 59.5 385 23 B L T X< S+ 0 0 8 -3,-1.0 3,-1.5 -4,-0.9 -1,-0.3 0.433 86.2 97.0 -94.6 -1.2 57.9 40.8 58.9 386 24 B 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4,-2.2 2,-0.2 -1,-0.2 0.879 112.4 51.0 -72.9 -33.7 47.9 44.9 65.6 407 45 B E H X S+ 0 0 62 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.894 108.6 53.4 -65.9 -38.8 46.5 44.3 69.1 408 46 B T H X S+ 0 0 80 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.921 109.1 48.9 -58.8 -44.9 50.1 44.7 70.5 409 47 B V H X S+ 0 0 3 -4,-1.9 4,-2.7 2,-0.2 5,-0.3 0.922 104.7 58.7 -61.7 -40.6 50.2 48.0 68.7 410 48 B R H X S+ 0 0 24 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.943 109.0 44.8 -55.0 -47.0 46.8 49.0 70.1 411 49 B A H X S+ 0 0 46 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.860 110.2 54.7 -64.2 -36.1 48.3 48.6 73.6 412 50 B Q H X S+ 0 0 51 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.883 109.6 47.0 -64.4 -39.8 51.5 50.5 72.6 413 51 B I H X S+ 0 0 0 -4,-2.7 4,-1.1 2,-0.2 -2,-0.2 0.913 110.3 53.2 -67.0 -43.5 49.4 53.5 71.4 414 52 B A H ><>S+ 0 0 1 -4,-2.1 5,-2.5 -5,-0.3 3,-1.1 0.952 110.0 47.3 -56.4 -49.5 47.3 53.4 74.6 415 53 B T H ><5S+ 0 0 105 -4,-2.3 3,-1.6 1,-0.3 -1,-0.2 0.877 108.5 54.9 -59.1 -42.1 50.4 53.5 76.8 416 54 B A H 3<5S+ 0 0 8 -4,-1.7 126,-0.4 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