==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN 06-SEP-13 4MLC . COMPND 2 MOLECULE: EXTRACELLULAR LIGAND-BINDING RECEPTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFITOBACTERIUM HAFNIENSE; . AUTHOR Y.KIM,G.CHHOR,M.ENDRES,A.JOACHIMIAK,MIDWEST CENTER FOR STRUC . 336 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15023.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 239 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 12.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 19 5.7 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 . 3 0.9 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 . 21 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 114 33.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 0 0 0 0 0 1 0 1 1 1 4 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 4 0 2 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 PARALLEL BRIDGES PER LADDER . 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 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 6 A E 0 0 183 0, 0.0 38,-2.8 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0-171.0 57.4 39.9 45.2 2 7 A E E -a 39 0A 87 36,-0.3 2,-0.4 38,-0.0 38,-0.2 -0.861 360.0-154.8-131.1 152.0 58.7 36.3 44.9 3 8 A I E -a 40 0A 5 36,-2.2 38,-2.3 -2,-0.3 2,-0.4 -0.993 24.2-149.3-121.7 140.1 60.7 33.6 46.5 4 9 A F E -ab 41 67A 55 62,-1.1 64,-2.8 -2,-0.4 65,-0.4 -0.861 15.0-173.6-114.4 144.5 62.3 31.0 44.3 5 10 A I E -a 42 0A 0 36,-1.7 38,-2.2 -2,-0.4 2,-0.3 -0.975 24.8-131.6-126.7 138.2 63.1 27.3 44.9 6 11 A G E -ab 43 70A 0 63,-2.6 65,-3.3 -2,-0.4 2,-0.4 -0.649 13.9-158.6 -91.2 147.5 65.0 25.4 42.2 7 12 A V E -ab 44 71A 0 36,-2.4 38,-2.6 -2,-0.3 2,-0.5 -0.996 3.5-168.1-126.9 130.7 64.0 22.0 41.0 8 13 A A E +a 45 0A 0 63,-2.8 65,-0.5 -2,-0.4 38,-0.2 -0.960 31.9 128.9-120.0 114.6 66.4 19.7 39.3 9 14 A W E -a 46 0A 0 36,-1.9 2,-1.9 -2,-0.5 38,-0.9 -0.985 68.8-100.9-162.0 153.2 64.8 16.7 37.5 10 15 A P + 0 0 0 0, 0.0 4,-0.2 0, 0.0 36,-0.1 -0.529 56.4 160.7 -80.1 71.3 64.8 14.8 34.2 11 16 A F > + 0 0 40 -2,-1.9 3,-1.1 1,-0.2 5,-0.1 0.912 64.8 44.3 -59.8 -53.1 61.5 16.5 33.3 12 17 A A T 3 S+ 0 0 87 1,-0.3 -1,-0.2 -3,-0.2 34,-0.0 0.938 115.1 46.6 -62.6 -50.7 61.5 16.0 29.5 13 18 A S T 3 S+ 0 0 80 2,-0.0 2,-0.4 1,-0.0 -1,-0.3 0.306 107.1 69.4 -78.0 9.0 62.6 12.4 29.5 14 19 A L < - 0 0 46 -3,-1.1 2,-0.2 -4,-0.2 3,-0.2 -0.985 46.2-173.0-137.7 140.6 60.1 11.3 32.2 15 20 A D + 0 0 163 -2,-0.4 -4,-0.1 1,-0.1 -3,-0.1 -0.512 46.0 127.3-123.7 63.9 56.4 10.8 32.7 16 21 A D S S- 0 0 26 -2,-0.2 253,-0.5 -5,-0.1 252,-0.3 0.394 74.5-118.2-101.0 -3.6 56.4 10.1 36.4 17 22 A L S > S+ 0 0 20 -3,-0.2 4,-1.6 251,-0.1 3,-0.2 0.454 79.2 124.0 73.0 5.5 53.8 12.7 37.5 18 23 A F H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.874 70.2 51.4 -61.4 -40.1 56.4 14.4 39.6 19 24 A A H > S+ 0 0 17 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.819 106.9 56.0 -69.5 -26.6 55.9 17.7 37.9 20 25 A E H > S+ 0 0 57 2,-0.2 4,-2.3 -3,-0.2 -1,-0.2 0.843 105.3 49.9 -76.5 -34.5 52.2 17.5 38.5 21 26 A G H X S+ 0 0 0 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.941 112.7 48.8 -64.4 -48.6 52.6 17.0 42.2 22 27 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.928 112.4 47.3 -51.3 -52.2 54.9 20.1 42.2 23 28 A E H X S+ 0 0 115 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.934 110.3 52.0 -60.5 -48.5 52.4 22.2 40.2 24 29 A L H X S+ 0 0 11 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.896 113.0 46.0 -53.2 -43.3 49.5 21.1 42.4 25 30 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.927 109.8 49.9 -70.5 -53.2 51.5 22.2 45.6 26 31 A V H X S+ 0 0 21 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.925 110.6 54.0 -46.1 -50.6 52.8 25.6 44.4 27 32 A Q H X S+ 0 0 112 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.959 109.0 46.6 -49.3 -59.3 49.2 26.3 43.4 28 33 A E H < S+ 0 0 47 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.842 111.8 51.4 -55.9 -40.4 47.8 25.5 46.8 29 34 A I H ><>S+ 0 0 12 -4,-2.5 5,-1.8 1,-0.2 3,-1.4 0.944 111.7 45.9 -63.9 -47.7 50.6 27.6 48.6 30 35 A N H ><5S+ 0 0 54 -4,-2.6 3,-1.3 1,-0.3 -2,-0.2 0.865 104.5 61.1 -64.2 -35.6 50.0 30.7 46.5 31 36 A E T 3<5S+ 0 0 124 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.348 103.4 53.5 -79.1 11.8 46.2 30.5 46.8 32 37 A Q T < 5S- 0 0 145 -3,-1.4 -1,-0.3 -5,-0.1 -2,-0.1 -0.113 137.8 -74.5-128.3 33.7 46.6 30.9 50.6 33 38 A G T <>5 - 0 0 56 -3,-1.3 4,-0.6 2,-0.1 -3,-0.2 0.495 68.2-121.0 87.8 2.7 48.7 34.1 50.7 34 39 A G T 4< - 0 0 5 -5,-1.8 2,-0.5 -6,-0.2 5,-0.2 -0.358 58.9 -32.0 66.9-138.4 51.8 32.2 49.5 35 40 A V B >4 S-E 38 0B 0 3,-2.6 3,-1.4 1,-0.1 -1,-0.1 -0.968 123.2 -19.9-126.0 116.5 54.9 32.4 51.8 36 41 A Q T 34 S- 0 0 77 -2,-0.5 -1,-0.1 1,-0.3 -2,-0.1 0.845 123.4 -60.1 54.3 35.5 55.5 35.4 54.0 37 42 A G T 3< S+ 0 0 68 -4,-0.6 -1,-0.3 1,-0.3 2,-0.1 0.050 117.2 114.8 84.0 -27.8 53.3 37.4 51.6 38 43 A R B < S-E 35 0B 89 -3,-1.4 -3,-2.6 1,-0.1 2,-0.3 -0.415 71.1-115.4 -73.0 147.0 55.6 36.6 48.7 39 44 A K E -a 2 0A 141 -38,-2.8 -36,-2.2 -5,-0.2 2,-0.4 -0.649 27.9-124.0 -83.8 142.4 54.5 34.4 45.8 40 45 A L E +a 3 0A 1 -2,-0.3 2,-0.4 -14,-0.2 -36,-0.2 -0.730 31.8 178.6 -92.3 130.6 56.2 31.0 45.4 41 46 A S E -a 4 0A 35 -38,-2.3 -36,-1.7 -2,-0.4 2,-0.3 -0.993 19.9-138.2-134.9 139.8 57.8 30.2 42.1 42 47 A L E -a 5 0A 42 -2,-0.4 2,-0.6 -38,-0.2 -36,-0.2 -0.745 2.8-154.5 -93.8 138.6 59.8 27.2 40.8 43 48 A V E -a 6 0A 56 -38,-2.2 -36,-2.4 -2,-0.3 2,-0.3 -0.932 23.9-155.5-108.1 102.9 63.0 27.6 38.7 44 49 A K E -a 7 0A 113 -2,-0.6 2,-0.4 -38,-0.2 -36,-0.2 -0.636 15.3-178.2 -87.4 134.9 63.0 24.3 36.8 45 50 A A E -a 8 0A 19 -38,-2.6 -36,-1.9 -2,-0.3 2,-0.6 -0.998 19.7-139.9-130.2 131.6 66.2 22.8 35.4 46 51 A D E -a 9 0A 35 -2,-0.4 -38,-0.1 -38,-0.2 11,-0.0 -0.828 15.6-176.6 -97.0 119.5 66.4 19.6 33.4 47 52 A D > - 0 0 0 -38,-0.9 3,-2.2 -2,-0.6 7,-0.4 0.498 26.5-143.3 -93.9 -2.4 69.4 17.4 34.2 48 53 A E T 3 - 0 0 98 -39,-0.4 3,-0.1 1,-0.3 -2,-0.1 0.640 56.9 -80.1 53.1 17.3 68.6 14.7 31.6 49 54 A A T 3 S+ 0 0 36 1,-0.2 2,-0.4 2,-0.1 -1,-0.3 0.895 99.1 132.1 54.3 42.5 69.8 12.1 34.1 50 55 A E <> - 0 0 105 -3,-2.2 4,-3.0 1,-0.1 -1,-0.2 -0.996 58.1-142.8-127.8 130.7 73.4 13.0 33.1 51 56 A L H > S+ 0 0 77 -2,-0.4 4,-2.5 1,-0.2 5,-0.2 0.859 100.2 52.1 -59.7 -43.4 76.1 13.6 35.6 52 57 A E H > S+ 0 0 176 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.956 116.0 40.3 -58.8 -49.9 77.8 16.4 33.6 53 58 A K H > S+ 0 0 79 -6,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.894 112.9 56.4 -69.5 -37.1 74.5 18.3 33.2 54 59 A G H X S+ 0 0 0 -4,-3.0 4,-2.3 -7,-0.4 -1,-0.2 0.926 109.0 45.6 -55.5 -50.0 73.5 17.6 36.8 55 60 A L H X S+ 0 0 57 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.833 110.3 53.2 -65.0 -37.4 76.7 19.1 38.2 56 61 A A H X S+ 0 0 57 -4,-1.8 4,-2.6 -5,-0.2 -1,-0.2 0.915 111.1 47.5 -64.5 -42.7 76.4 22.2 36.0 57 62 A I H X S+ 0 0 21 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.930 110.1 51.1 -63.4 -47.0 72.9 22.8 37.2 58 63 A A H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.960 112.3 48.3 -54.8 -52.4 73.9 22.3 40.8 59 64 A Q H X S+ 0 0 97 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.907 109.4 51.8 -50.3 -49.2 76.6 24.9 40.3 60 65 A A H < S+ 0 0 58 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.876 111.3 47.0 -63.0 -37.7 74.3 27.3 38.6 61 66 A F H >< S+ 0 0 11 -4,-2.5 3,-1.2 1,-0.2 6,-0.3 0.853 106.5 60.7 -67.7 -34.5 71.8 27.2 41.5 62 67 A A H 3< S+ 0 0 26 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.900 108.7 39.4 -65.1 -44.4 74.6 27.6 44.0 63 68 A D T 3< S+ 0 0 123 -4,-1.7 2,-0.6 1,-0.0 -1,-0.3 0.116 92.1 99.5 -97.2 24.2 75.8 31.0 42.8 64 69 A N X - 0 0 83 -3,-1.2 3,-1.8 1,-0.1 -1,-0.0 -0.914 60.4-157.8-107.0 104.5 72.3 32.3 42.1 65 70 A A T 3 S+ 0 0 106 -2,-0.6 -1,-0.1 1,-0.3 -4,-0.0 0.734 83.5 65.6 -55.3 -30.8 71.3 34.5 45.1 66 71 A G T 3 S+ 0 0 31 -63,-0.1 -62,-1.1 2,-0.0 2,-0.5 0.600 78.1 100.4 -70.9 -11.8 67.5 34.3 44.6 67 72 A I E < -b 4 0A 5 -3,-1.8 -62,-0.2 -6,-0.3 3,-0.1 -0.644 44.3-178.8 -84.6 120.7 67.3 30.5 45.3 68 73 A Q E - 0 0 19 -64,-2.8 24,-0.6 -2,-0.5 2,-0.3 0.852 69.2 -20.1 -82.2 -37.5 66.1 29.6 48.8 69 74 A A E - c 0 92A 0 -65,-0.4 -63,-2.6 22,-0.1 2,-0.4 -0.968 60.9-123.9-164.5 165.0 66.5 25.8 48.4 70 75 A V E -bc 6 93A 0 22,-2.9 24,-2.8 -2,-0.3 2,-0.5 -0.964 9.8-152.1-124.6 136.6 66.7 23.2 45.7 71 76 A I E -bc 7 94A 0 -65,-3.3 -63,-2.8 -2,-0.4 2,-0.3 -0.956 47.4 -25.7-106.1 126.0 64.5 20.1 45.2 72 77 A G - 0 0 0 22,-1.7 -63,-0.1 -2,-0.5 2,-0.1 -0.903 6.7-152.4 145.9-173.7 66.2 17.2 43.5 73 78 A H - 0 0 0 -65,-0.5 24,-0.6 -2,-0.3 25,-0.4 0.782 26.1-154.3 -93.9-173.7 67.9 15.4 42.0 74 79 A R S S+ 0 0 68 23,-0.1 2,-0.4 -2,-0.1 -65,-0.1 0.900 76.1 62.1 -82.1 -40.9 66.1 12.1 40.9 75 80 A N S >> S- 0 0 29 1,-0.1 4,-3.0 23,-0.1 3,-1.3 -0.718 70.4-143.1 -96.1 134.3 69.1 9.8 40.6 76 81 A S H 3> S+ 0 0 26 -2,-0.4 4,-2.8 1,-0.3 -1,-0.1 0.890 101.6 61.8 -56.6 -41.5 71.4 9.0 43.5 77 82 A F H 34 S+ 0 0 112 1,-0.2 -1,-0.3 2,-0.2 -2,-0.0 0.708 114.6 35.6 -62.8 -19.5 74.5 9.0 41.2 78 83 A I H <> S+ 0 0 0 -3,-1.3 4,-2.6 2,-0.1 5,-0.2 0.845 115.4 53.7 -92.5 -49.0 73.7 12.6 40.6 79 84 A S H X S+ 0 0 0 -4,-3.0 4,-2.7 2,-0.2 -2,-0.2 0.849 103.8 56.0 -51.6 -44.9 72.4 13.6 44.0 80 85 A I H X S+ 0 0 36 -4,-2.8 4,-1.0 1,-0.2 -1,-0.2 0.978 116.0 34.9 -59.1 -57.3 75.5 12.3 45.9 81 86 A P H > S+ 0 0 45 0, 0.0 4,-0.7 0, 0.0 3,-0.2 0.850 118.0 53.7 -64.1 -32.1 78.0 14.4 44.0 82 87 A A H >X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 3,-0.6 0.851 99.5 62.3 -68.9 -35.4 75.6 17.4 43.6 83 88 A A H 3X S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.2 5,-0.3 0.835 94.8 62.6 -54.8 -37.5 75.0 17.4 47.4 84 89 A S H 3X S+ 0 0 31 -4,-1.0 4,-1.8 -3,-0.2 -1,-0.2 0.917 106.5 45.0 -52.6 -44.5 78.7 18.2 47.7 85 90 A I H S+ 0 0 0 -4,-2.0 5,-2.3 1,-0.2 4,-0.9 0.928 112.1 52.4 -67.0 -41.5 74.9 22.5 47.7 87 92 A D H ><5S+ 0 0 35 -4,-3.0 3,-0.8 1,-0.2 -1,-0.2 0.917 109.0 49.8 -60.1 -40.6 76.5 21.8 51.0 88 93 A Q H 3<5S+ 0 0 148 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.758 112.9 48.1 -68.1 -24.0 79.5 23.9 50.2 89 94 A A H 3<5S- 0 0 54 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.517 112.0-116.9 -92.2 -7.5 77.3 26.8 49.1 90 95 A G T <<5 + 0 0 16 -4,-0.9 2,-0.5 -3,-0.8 -3,-0.2 0.671 68.5 141.7 76.9 18.8 75.0 26.7 52.2 91 96 A L < - 0 0 9 -5,-2.3 2,-0.3 -6,-0.2 -1,-0.3 -0.807 52.9-123.5-101.3 130.9 72.1 25.8 50.0 92 97 A V E -c 69 0A 0 -24,-0.6 -22,-2.9 -2,-0.5 2,-0.5 -0.518 22.9-165.6 -72.4 128.4 69.5 23.3 51.2 93 98 A X E -cd 70 111A 0 17,-2.4 19,-3.1 -2,-0.3 2,-0.6 -0.981 2.8-170.8-117.0 119.7 69.0 20.3 48.9 94 99 A L E -cd 71 112A 0 -24,-2.8 -22,-1.7 -2,-0.5 19,-0.2 -0.939 8.3-160.3-115.6 110.8 65.8 18.3 49.5 95 100 A S E - d 0 113A 0 17,-2.7 19,-1.8 -2,-0.6 20,-0.4 -0.799 18.1-179.6-101.6 127.0 65.7 15.1 47.5 96 101 A P S S+ 0 0 1 0, 0.0 -1,-0.1 0, 0.0 -22,-0.1 0.381 81.7 33.0 -99.5 1.5 62.5 13.2 46.9 97 102 A A S S+ 0 0 4 -24,-0.6 2,-0.7 18,-0.1 -21,-0.2 0.564 83.9 99.9-129.8 -12.9 63.8 10.3 44.8 98 103 A S + 0 0 1 -25,-0.4 17,-0.2 -23,-0.2 -23,-0.1 -0.701 35.8 174.7 -94.9 116.3 67.3 9.3 45.9 99 104 A T + 0 0 9 -2,-0.7 19,-3.1 18,-0.1 20,-0.5 0.528 31.4 126.9 -97.1 -9.0 67.3 6.3 48.1 100 105 A S > - 0 0 22 17,-0.2 3,-1.3 1,-0.1 4,-0.4 -0.250 54.9-143.5 -59.8 128.4 71.1 5.6 48.5 101 106 A P G > S+ 0 0 31 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.871 97.7 69.0 -52.5 -37.4 72.3 5.4 52.1 102 107 A D G > S+ 0 0 72 1,-0.2 3,-1.8 2,-0.2 -2,-0.1 0.728 79.9 76.8 -60.3 -25.7 75.5 7.1 51.0 103 108 A L G < S+ 0 0 2 -3,-1.3 3,-0.2 1,-0.3 -1,-0.2 0.859 105.1 32.6 -53.5 -38.8 73.7 10.4 50.4 104 109 A T G < S+ 0 0 11 -3,-1.3 -1,-0.3 -4,-0.4 3,-0.3 0.037 98.6 88.5-108.1 26.8 73.6 11.2 54.1 105 110 A D S < S+ 0 0 99 -3,-1.8 -1,-0.2 1,-0.1 -2,-0.1 0.018 72.8 68.8-111.1 31.0 76.8 9.5 55.1 106 111 A H S S- 0 0 83 -3,-0.2 -1,-0.1 210,-0.2 3,-0.1 0.295 104.6-105.8-134.0 7.9 79.3 12.4 54.6 107 112 A G + 0 0 68 -3,-0.3 2,-0.1 1,-0.2 -3,-0.1 0.645 60.5 159.3 75.6 14.6 78.5 15.0 57.3 108 113 A Y - 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0 0 96 3,-0.2 3,-0.5 -2,-0.2 6,-0.3 -0.855 27.7-167.6 -91.8 111.5 65.1 34.6 57.8 288 302 A L S S+ 0 0 22 -2,-0.7 -1,-0.1 1,-0.2 6,-0.0 0.613 78.1 82.3 -77.4 -14.5 65.1 34.6 54.0 289 303 A T S S+ 0 0 110 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.978 106.7 21.6 -42.8 -63.3 67.9 37.1 54.2 290 304 A H S > S- 0 0 101 -3,-0.5 3,-1.8 1,-0.1 2,-0.3 -0.866 72.6-159.1-121.9 99.4 70.4 34.2 54.7 291 305 A P T 3 S+ 0 0 40 0, 0.0 -199,-0.4 0, 0.0 4,-0.3 0.236 79.3 80.0 -67.3 14.0 69.2 30.8 53.5 292 306 A A T 3> S+ 0 0 54 -2,-0.3 4,-0.5 1,-0.2 3,-0.2 0.501 81.6 65.0 -97.6 -4.7 71.6 28.7 55.6 293 307 A T H <> S+ 0 0 47 -3,-1.8 4,-1.9 -6,-0.3 -1,-0.2 0.563 86.2 77.8 -79.6 -12.8 69.3 29.1 58.7 294 308 A L H > S+ 0 0 1 -4,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.888 85.0 58.5 -64.4 -39.6 66.9 27.1 56.6 295 309 A A H > S+ 0 0 2 -4,-0.3 4,-1.1 2,-0.2 -1,-0.2 0.957 108.4 42.6 -57.5 -55.1 68.7 23.8 57.4 296 310 A Q H >X S+ 0 0 104 -4,-0.5 3,-0.6 1,-0.2 4,-0.6 0.895 109.6 62.2 -59.6 -37.3 68.3 24.1 61.1 297 311 A G H >X S+ 0 0 24 -4,-1.9 3,-1.5 1,-0.2 4,-0.9 0.930 100.7 51.4 -47.6 -54.7 64.8 25.2 60.5 298 312 A L H 3X S+ 0 0 1 -4,-2.3 4,-0.7 1,-0.2 15,-0.4 0.772 105.0 56.1 -55.5 -31.5 63.9 21.9 58.8 299 313 A R H << S+ 0 0 47 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 0.527 114.4 39.2 -82.4 -6.5 65.3 19.9 61.8 300 314 A D H << S+ 0 0 118 -3,-1.5 -1,-0.2 -4,-0.6 -2,-0.2 0.419 97.5 81.3-115.8 -6.0 62.9 21.7 64.2 301 315 A L H < S+ 0 0 14 -4,-0.9 -2,-0.2 -5,-0.2 -3,-0.1 0.938 80.0 137.0 -62.6 -49.9 60.0 21.7 61.8 302 316 A G < + 0 0 30 -4,-0.7 10,-0.2 2,-0.1 2,-0.1 -0.015 34.0 50.5 -67.2 164.0 58.9 18.2 62.6 303 317 A P S S+ 0 0 86 0, 0.0 2,-0.5 0, 0.0 9,-0.2 0.448 74.1 172.5 -71.7 139.5 56.9 16.3 63.2 304 318 A W E -L 311 0D 66 7,-2.0 7,-1.9 -2,-0.1 2,-0.3 -0.960 30.4-131.5-116.2 117.3 55.1 17.7 60.1 305 319 A E E +L 310 0D 62 -2,-0.5 2,-0.2 5,-0.2 5,-0.2 -0.452 37.6 172.1 -66.7 121.3 52.0 15.9 58.8 306 320 A G E > -L 309 0D 1 3,-2.0 3,-1.1 -2,-0.3 -56,-0.1 -0.691 51.1 -94.2-121.4 178.0 52.4 15.4 55.0 307 321 A V T 3 S+ 0 0 1 1,-0.2 -65,-0.2 -2,-0.2 -62,-0.1 0.776 126.5 48.1 -63.8 -25.0 50.5 13.5 52.4 308 322 A X T 3 S- 0 0 6 1,-0.4 -67,-0.3 -38,-0.2 2,-0.3 0.534 125.0 -88.6 -91.2 -10.2 52.8 10.6 52.9 309 323 A G E < S-L 306 0D 4 -3,-1.1 -3,-2.0 -5,-0.1 -1,-0.4 -0.847 77.2 -16.1 127.2-167.8 52.6 10.5 56.7 310 324 A X E -L 305 0D 82 12,-0.3 2,-0.4 -2,-0.3 -5,-0.2 -0.523 59.9-151.3 -75.0 133.6 54.6 12.3 59.4 311 325 A H E +L 304 0D 1 -7,-1.9 -7,-2.0 -2,-0.3 2,-0.3 -0.888 23.5 159.4-107.9 136.8 58.0 13.8 58.4 312 326 A R - 0 0 102 -2,-0.4 8,-2.5 -9,-0.2 2,-0.4 -0.965 24.8-144.0-155.3 131.8 60.9 14.2 60.8 313 327 A F B -M 319 0E 20 -15,-0.4 6,-0.2 -2,-0.3 2,-0.1 -0.832 6.8-150.6-105.3 139.4 64.6 14.7 60.0 314 328 A D > - 0 0 49 4,-1.9 3,-0.6 -2,-0.4 -1,-0.0 -0.293 41.8 -89.5 -88.1-175.8 67.6 13.3 62.0 315 329 A G T 3 S+ 0 0 61 1,-0.2 -16,-0.0 2,-0.1 -1,-0.0 0.691 127.3 56.2 -71.2 -18.8 71.0 15.0 62.2 316 330 A R T 3 S- 0 0 157 2,-0.1 -1,-0.2 -211,-0.0 -210,-0.2 0.738 118.4-112.7 -81.0 -21.8 72.2 13.2 59.1 317 331 A G < + 0 0 0 -3,-0.6 -204,-1.5 1,-0.3 -2,-0.1 0.452 69.3 139.9 101.3 3.0 69.3 14.6 57.2 318 332 A D - 0 0 20 -206,-0.2 -4,-1.9 -214,-0.1 2,-0.6 -0.429 58.6-114.8 -69.8 149.9 67.4 11.3 56.6 319 333 A D B +M 313 0E 6 -204,-0.6 -202,-0.3 -6,-0.2 -6,-0.2 -0.807 38.2 172.6 -85.1 125.4 63.7 11.2 56.9 320 334 A I + 0 0 69 -8,-2.5 -7,-0.1 -2,-0.6 -1,-0.1 0.074 34.2 112.5-129.3 21.1 62.9 8.9 59.8 321 335 A G S S- 0 0 7 -9,-0.3 2,-1.2 -11,-0.1 3,-0.2 -0.353 88.2 -78.4 -80.7 174.7 59.2 9.2 60.3 322 336 A D S S+ 0 0 135 1,-0.2 -12,-0.3 -2,-0.1 -1,-0.1 -0.641 82.5 128.2 -78.9 98.3 56.9 6.2 59.6 323 337 A L + 0 0 5 -2,-1.2 -82,-0.8 -14,-0.1 2,-0.3 0.521 24.5 112.7-133.5 -15.3 56.7 6.4 55.8 324 338 A V E -J 240 0C 21 -3,-0.2 2,-0.5 -84,-0.2 -84,-0.3 -0.511 45.5-167.4 -67.7 129.5 57.6 3.0 54.4 325 339 A V E -J 239 0C 18 -86,-2.3 -86,-2.2 -2,-0.3 2,-0.4 -0.988 11.3-144.4-123.7 120.3 54.6 1.5 52.7 326 340 A L E -J 238 0C 22 -2,-0.5 11,-2.3 -88,-0.2 2,-0.4 -0.739 19.3-167.3 -86.6 133.0 54.6 -2.2 51.8 327 341 A K E -JK 237 336C 3 -90,-2.9 -90,-3.7 -2,-0.4 2,-0.4 -0.976 9.4-160.3-127.9 126.1 52.8 -3.0 48.5 328 342 A K E -JK 236 335C 66 7,-2.1 7,-3.4 -2,-0.4 2,-0.4 -0.865 23.4-122.8-102.8 137.6 51.7 -6.4 47.1 329 343 A X E + K 0 334C 25 -94,-1.9 -95,-2.3 -2,-0.4 2,-0.3 -0.652 37.4 167.5 -74.4 128.2 50.8 -6.9 43.4 330 344 A K E > - K 0 333C 107 3,-2.9 3,-1.4 -2,-0.4 -97,-0.0 -0.908 64.8 -22.9-148.0 115.8 47.3 -8.3 42.9 331 345 A D T 3 S- 0 0 111 -2,-0.3 2,-0.8 1,-0.3 -1,-0.1 0.951 124.8 -47.2 46.3 63.8 45.5 -8.4 39.5 332 346 A G T 3 S+ 0 0 46 1,-0.1 -1,-0.3 -103,-0.1 2,-0.2 0.045 125.6 76.4 78.1 -32.3 47.5 -5.6 37.8 333 347 A R E < S-K 330 0C 195 -3,-1.4 -3,-2.9 -2,-0.8 2,-0.4 -0.626 82.3 -94.9-113.8 173.1 47.3 -3.2 40.7 334 348 A F E -K 329 0C 37 -5,-0.2 2,-0.3 -2,-0.2 -5,-0.2 -0.712 24.2-160.4 -91.5 130.0 48.8 -2.6 44.2 335 349 A E E -K 328 0C 86 -7,-3.4 -7,-2.1 -2,-0.4 2,-0.5 -0.786 19.5-134.9 -95.8 150.1 47.3 -3.7 47.4 336 350 A Y E K 327 0C 53 -2,-0.3 -9,-0.2 -9,-0.2 -94,-0.0 -0.918 360.0 360.0-115.3 128.7 48.6 -2.0 50.6 337 351 A L 0 0 100 -11,-2.3 -10,-0.1 -2,-0.5 -1,-0.1 0.622 360.0 360.0-108.5 360.0 49.6 -3.7 53.9