==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN 26-MAR-08 3CNL . COMPND 2 MOLECULE: PUTATIVE UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR D.J.KIM,J.Y.JANG,H.-J.YOON,S.W.SUH . 233 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13039.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 157 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 2.6 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 . 3 1.3 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 . 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 . 20 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 70 30.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.1 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 1 1 2 0 1 0 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 1 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 9 A E 0 0 106 0, 0.0 138,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -36.0 2.3 8.8 19.4 2 10 A K > + 0 0 153 1,-0.2 3,-1.0 2,-0.1 2,-0.4 0.621 360.0 81.3 -59.3 -16.5 0.8 11.9 21.1 3 11 A A T 3 + 0 0 26 1,-0.4 -1,-0.2 2,-0.2 136,-0.1 -0.876 38.7 103.3-133.5 100.8 0.5 9.9 24.4 4 12 A K T 3> S+ 0 0 80 -2,-0.4 4,-1.7 -3,-0.1 -1,-0.4 -0.489 75.6 73.2 69.5 -69.9 3.4 10.0 25.5 5 13 A R H <> S+ 0 0 155 -3,-1.0 4,-1.3 2,-0.2 -2,-0.2 0.835 97.7 49.0 -65.9 -33.5 1.1 12.4 27.4 6 14 A Q H > S+ 0 0 121 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.863 104.2 57.4 -72.1 -39.4 -0.4 9.3 29.0 7 15 A I H > S+ 0 0 1 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.918 105.7 51.9 -55.4 -44.1 3.1 8.0 29.8 8 16 A K H X S+ 0 0 70 -4,-1.7 4,-1.1 1,-0.2 -1,-0.2 0.879 108.7 50.2 -57.7 -41.1 3.5 11.3 31.7 9 17 A D H < S+ 0 0 83 -4,-1.3 4,-0.3 1,-0.2 -1,-0.2 0.832 113.4 45.4 -65.3 -34.4 0.2 10.5 33.6 10 18 A L H >< S+ 0 0 15 -4,-2.2 3,-1.2 1,-0.2 4,-0.2 0.859 106.9 60.0 -76.8 -34.3 1.5 7.0 34.4 11 19 A L H >< S+ 0 0 6 -4,-2.6 3,-1.5 1,-0.3 -2,-0.2 0.774 92.5 65.6 -63.1 -31.1 4.9 8.3 35.5 12 20 A R T 3< S+ 0 0 182 -4,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.751 96.9 57.5 -66.3 -23.1 3.4 10.5 38.2 13 21 A L T < S+ 0 0 78 -3,-1.2 -1,-0.3 -4,-0.3 2,-0.2 0.590 106.5 57.7 -78.1 -12.5 2.3 7.3 40.0 14 22 A V < - 0 0 8 -3,-1.5 80,-0.2 -4,-0.2 3,-0.1 -0.742 48.5-166.0-127.9 164.3 5.9 5.9 40.2 15 23 A N S S+ 0 0 65 78,-2.0 25,-2.4 -2,-0.2 2,-0.3 0.379 82.4 52.5-123.1 -5.1 9.4 6.6 41.4 16 24 A T E -ab 40 94A 9 77,-1.9 79,-2.2 23,-0.2 2,-0.4 -0.985 61.4-162.5-137.5 144.4 11.1 3.8 39.4 17 25 A V E -ab 41 95A 0 23,-3.0 25,-3.0 -2,-0.3 2,-0.7 -0.997 7.2-160.0-131.8 124.4 11.1 2.9 35.7 18 26 A V E -ab 42 96A 0 77,-2.6 79,-3.0 -2,-0.4 2,-0.8 -0.936 15.8-154.7-101.7 108.9 12.2 -0.4 34.1 19 27 A E E -ab 43 97A 10 23,-2.8 25,-3.0 -2,-0.7 2,-0.9 -0.793 6.4-151.8 -87.7 109.6 12.9 0.4 30.4 20 28 A V E +a 44 0A 0 77,-3.2 79,-0.4 -2,-0.8 2,-0.3 -0.762 25.1 168.9 -90.1 106.9 12.4 -2.8 28.5 21 29 A R E -a 45 0A 16 23,-2.7 25,-3.0 -2,-0.9 2,-0.5 -0.709 39.8-109.9-110.9 161.7 14.7 -2.8 25.4 22 30 A D E > -a 46 0A 0 3,-0.4 3,-1.2 -2,-0.3 7,-0.3 -0.847 21.7-143.1 -90.4 126.8 15.6 -5.5 22.9 23 31 A A T 3 S+ 0 0 0 23,-2.5 206,-0.2 -2,-0.5 -1,-0.1 0.695 98.4 64.4 -62.8 -20.9 19.3 -6.5 23.4 24 32 A R T 3 S+ 0 0 1 22,-0.3 204,-3.3 1,-0.3 205,-1.0 0.723 120.7 18.5 -76.1 -19.7 19.7 -6.9 19.6 25 33 A A S <> S+ 0 0 0 -3,-1.2 4,-2.2 203,-0.2 -3,-0.4 -0.492 70.5 165.5-148.5 69.4 19.0 -3.2 19.1 26 34 A P T 4 S+ 0 0 0 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.767 80.4 41.9 -64.8 -29.5 19.5 -1.2 22.3 27 35 A F T >4 S+ 0 0 77 2,-0.2 3,-1.9 1,-0.1 5,-0.2 0.928 114.4 50.5 -77.9 -48.4 19.5 2.2 20.7 28 36 A A T 34 S+ 0 0 2 1,-0.3 4,-0.1 -6,-0.1 -1,-0.1 0.879 115.7 43.0 -55.2 -41.1 16.7 1.6 18.3 29 37 A T T 3< S+ 0 0 1 -4,-2.2 70,-0.5 -7,-0.3 -1,-0.3 0.170 86.3 122.2 -95.5 16.9 14.5 0.3 21.2 30 38 A S S < S- 0 0 13 -3,-1.9 2,-1.3 1,-0.1 -3,-0.1 -0.443 74.8-114.6 -74.2 153.0 15.4 3.0 23.7 31 39 A A > + 0 0 5 -2,-0.1 3,-1.2 66,-0.1 -1,-0.1 -0.289 50.4 169.8 -88.7 51.8 12.5 5.1 25.1 32 40 A Y T 3 + 0 0 193 -2,-1.3 109,-0.1 -5,-0.2 3,-0.1 -0.385 58.3 41.0 -61.1 136.6 13.8 8.3 23.5 33 41 A G T 3 S+ 0 0 49 1,-0.2 2,-0.4 107,-0.1 -1,-0.2 -0.230 94.9 86.8 117.3 -42.7 11.2 11.1 23.7 34 42 A V S < S- 0 0 13 -3,-1.2 2,-0.7 2,-0.0 -1,-0.2 -0.753 75.7-126.7 -99.4 138.3 10.0 10.5 27.3 35 43 A D + 0 0 98 -2,-0.4 3,-0.2 1,-0.1 -3,-0.0 -0.758 36.5 160.6 -91.1 113.3 11.7 12.1 30.3 36 44 A F > + 0 0 19 -2,-0.7 3,-1.5 1,-0.1 -1,-0.1 0.101 42.4 111.6-110.5 14.5 12.8 9.6 33.0 37 45 A S T 3 S+ 0 0 98 1,-0.3 -1,-0.1 3,-0.1 4,-0.1 0.635 76.0 52.5 -69.6 -13.1 15.4 11.9 34.6 38 46 A R T 3 S+ 0 0 219 -3,-0.2 2,-0.3 2,-0.1 -1,-0.3 0.414 106.1 66.1 -97.3 -0.8 13.2 12.3 37.8 39 47 A K S < S- 0 0 48 -3,-1.5 2,-0.7 -22,-0.0 -23,-0.2 -0.787 92.9-101.4-118.1 159.8 12.9 8.6 38.4 40 48 A E E -a 16 0A 93 -25,-2.4 -23,-3.0 -2,-0.3 2,-0.4 -0.758 48.4-159.6 -78.0 115.2 15.2 5.7 39.2 41 49 A T E -a 17 0A 37 -2,-0.7 2,-0.5 -25,-0.2 28,-0.4 -0.864 16.0-168.6-109.5 130.7 15.7 4.1 35.8 42 50 A I E -a 18 0A 0 -25,-3.0 -23,-2.8 -2,-0.4 2,-0.7 -0.978 15.5-145.2-111.9 124.2 16.8 0.5 35.1 43 51 A I E -ac 19 70A 5 26,-3.3 28,-2.6 -2,-0.5 2,-0.6 -0.830 17.1-164.2 -87.7 116.9 17.8 -0.3 31.4 44 52 A L E -ac 20 71A 0 -25,-3.0 -23,-2.7 -2,-0.7 2,-1.0 -0.922 9.8-154.7-106.2 119.8 16.7 -3.9 30.9 45 53 A L E -ac 21 72A 0 26,-2.8 28,-2.0 -2,-0.6 3,-0.4 -0.811 27.2-167.2 -95.4 98.6 18.3 -5.6 27.8 46 54 A N E +a 22 0A 8 -25,-3.0 -23,-2.5 -2,-1.0 -22,-0.3 -0.319 53.8 33.3 -89.4 168.9 15.7 -8.3 27.1 47 55 A K > + 0 0 38 -25,-0.2 3,-1.9 -24,-0.1 4,-0.3 0.778 59.5 157.1 62.8 33.6 15.6 -11.4 24.8 48 56 A V G > + 0 0 23 25,-1.8 3,-0.8 -3,-0.4 26,-0.1 0.739 64.1 73.3 -60.8 -19.3 19.4 -12.1 25.2 49 57 A D G 3 S+ 0 0 59 1,-0.2 -1,-0.3 24,-0.2 4,-0.1 0.777 105.2 33.9 -66.9 -25.5 18.6 -15.7 24.3 50 58 A I G < S+ 0 0 27 -3,-1.9 176,-1.4 175,-0.1 2,-0.3 0.247 106.4 91.7-112.8 10.3 18.1 -14.7 20.6 51 59 A A S < S- 0 0 0 -3,-0.8 2,-0.6 -4,-0.3 176,-0.2 -0.691 91.1 -93.7-101.8 155.6 20.8 -12.0 20.6 52 60 A D > - 0 0 44 -2,-0.3 4,-2.4 1,-0.2 3,-0.4 -0.599 34.4-147.8 -68.6 114.2 24.5 -12.2 19.7 53 61 A E H > S+ 0 0 131 -2,-0.6 4,-2.2 1,-0.2 5,-0.2 0.840 94.5 52.0 -56.3 -41.3 26.1 -12.8 23.1 54 62 A K H > S+ 0 0 143 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.910 111.9 45.9 -60.3 -45.5 29.3 -11.0 22.2 55 63 A T H > S+ 0 0 14 -3,-0.4 4,-1.7 2,-0.2 -2,-0.2 0.878 109.6 55.5 -67.6 -39.8 27.4 -7.9 21.1 56 64 A T H X S+ 0 0 9 -4,-2.4 4,-2.4 2,-0.2 3,-0.2 0.934 105.7 51.3 -59.2 -48.1 25.2 -8.0 24.2 57 65 A K H X S+ 0 0 109 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.916 108.2 52.3 -55.9 -42.7 28.2 -7.9 26.5 58 66 A K H X S+ 0 0 102 -4,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.841 108.1 51.8 -62.4 -34.3 29.6 -4.9 24.6 59 67 A W H X S+ 0 0 0 -4,-1.7 4,-2.4 -3,-0.2 5,-0.2 0.923 107.3 51.8 -66.4 -44.0 26.2 -3.2 25.2 60 68 A V H X S+ 0 0 20 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.944 112.3 46.7 -54.7 -48.1 26.4 -3.9 29.0 61 69 A E H X S+ 0 0 81 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.886 109.7 53.9 -62.4 -44.2 29.9 -2.3 29.1 62 70 A F H X S+ 0 0 49 -4,-2.2 4,-1.1 2,-0.2 -1,-0.2 0.899 113.1 41.9 -54.1 -49.0 28.8 0.6 27.1 63 71 A F H <>S+ 0 0 2 -4,-2.4 5,-2.6 2,-0.2 3,-0.3 0.910 112.6 53.2 -72.2 -40.7 25.9 1.4 29.5 64 72 A K H ><5S+ 0 0 134 -4,-2.8 3,-1.6 1,-0.2 -2,-0.2 0.916 108.1 52.6 -55.7 -42.3 28.0 0.7 32.6 65 73 A K H 3<5S+ 0 0 174 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.797 103.6 56.0 -66.8 -27.9 30.6 3.2 31.2 66 74 A Q T 3<5S- 0 0 99 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.442 122.8-109.6 -77.6 -0.3 27.8 5.8 30.8 67 75 A G T < 5 + 0 0 71 -3,-1.6 2,-0.3 1,-0.2 -3,-0.2 0.784 69.4 152.2 76.9 30.1 27.1 5.3 34.5 68 76 A K < - 0 0 101 -5,-2.6 2,-0.7 -6,-0.1 -1,-0.2 -0.673 53.2-121.4-102.4 146.4 23.8 3.6 33.7 69 77 A R + 0 0 85 -28,-0.4 -26,-3.3 -2,-0.3 2,-0.4 -0.771 48.3 167.3 -81.2 114.7 21.9 1.0 35.7 70 78 A V E +c 43 0A 20 -2,-0.7 2,-0.3 -28,-0.2 -26,-0.2 -0.997 16.9 172.3-139.3 134.1 21.7 -1.9 33.2 71 79 A I E -c 44 0A 19 -28,-2.6 -26,-2.8 -2,-0.4 2,-0.3 -0.876 19.1-142.3-129.4 165.7 20.7 -5.6 33.5 72 80 A T E +c 45 0A 33 -2,-0.3 2,-0.3 -28,-0.2 -26,-0.2 -0.960 30.0 149.0-127.6 148.7 20.1 -8.3 30.9 73 81 A T - 0 0 2 -28,-2.0 -25,-1.8 -2,-0.3 2,-0.3 -0.931 23.6-150.0-160.4 179.7 17.5 -11.0 30.9 74 82 A H > - 0 0 55 -2,-0.3 3,-1.9 -27,-0.2 8,-0.1 -0.966 38.9 -93.2-158.4 163.1 15.2 -13.3 28.9 75 83 A K T 3 S+ 0 0 157 -2,-0.3 -1,-0.0 1,-0.3 -29,-0.0 0.776 120.5 49.0 -42.1 -42.9 11.8 -15.0 29.0 76 84 A G T 3 S+ 0 0 61 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.398 82.1 108.8 -91.9 0.1 13.3 -18.3 30.3 77 85 A E S < S- 0 0 21 -3,-1.9 5,-0.1 1,-0.1 -3,-0.0 -0.659 80.7 -99.2 -79.6 131.6 15.4 -16.8 33.2 78 86 A P >> - 0 0 64 0, 0.0 4,-2.0 0, 0.0 3,-0.7 -0.114 20.7-121.9 -57.0 144.8 13.9 -17.6 36.6 79 87 A R H 3> S+ 0 0 52 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.870 113.7 55.7 -47.0 -42.9 11.7 -15.1 38.5 80 88 A K H 3> S+ 0 0 142 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.843 107.3 47.4 -62.0 -39.6 14.2 -15.2 41.4 81 89 A V H <> S+ 0 0 57 -3,-0.7 4,-2.2 2,-0.2 -1,-0.2 0.873 111.8 50.9 -71.5 -41.3 17.2 -14.4 39.2 82 90 A L H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.936 110.7 47.6 -59.8 -49.6 15.3 -11.4 37.6 83 91 A L H X S+ 0 0 35 -4,-2.4 4,-2.7 1,-0.2 5,-0.3 0.866 111.2 51.5 -65.4 -34.7 14.3 -9.9 40.9 84 92 A K H < S+ 0 0 157 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.897 111.4 47.6 -67.3 -42.7 17.8 -10.3 42.2 85 93 A K H < S+ 0 0 72 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.898 115.1 45.4 -61.6 -43.6 19.2 -8.5 39.1 86 94 A L H < S- 0 0 1 -4,-2.6 -2,-0.2 -5,-0.1 -1,-0.2 0.898 82.8-175.5 -68.3 -39.2 16.5 -5.7 39.5 87 95 A S < - 0 0 76 -4,-2.7 -3,-0.1 -5,-0.2 2,-0.1 0.898 16.6-154.0 36.4 66.5 17.2 -5.4 43.3 88 96 A F - 0 0 22 -5,-0.3 -1,-0.1 1,-0.1 41,-0.1 -0.406 13.5-112.0 -68.1 141.0 14.4 -2.9 43.9 89 97 A D > - 0 0 101 -2,-0.1 3,-1.9 1,-0.1 -1,-0.1 -0.294 31.2-108.0 -65.1 154.8 14.6 -0.4 46.8 90 98 A R T 3 S+ 0 0 201 1,-0.3 -1,-0.1 39,-0.1 -2,-0.1 0.807 120.0 47.5 -56.7 -34.0 12.1 -0.9 49.6 91 99 A L T 3 S+ 0 0 112 38,-0.1 -1,-0.3 2,-0.0 -76,-0.1 0.371 84.7 138.0 -89.7 6.4 10.2 2.2 48.6 92 100 A A < - 0 0 2 -3,-1.9 38,-2.0 -77,-0.1 2,-0.4 -0.224 29.6-178.8 -64.0 136.2 10.0 1.3 44.9 93 101 A R E - d 0 130A 96 36,-0.2 -78,-2.0 2,-0.0 -77,-1.9 -0.970 26.3-154.2-129.1 116.5 6.9 1.9 42.9 94 102 A V E -bd 16 131A 0 36,-2.9 38,-2.5 -2,-0.4 2,-0.5 -0.775 23.4-166.4-112.6 134.9 7.7 0.7 39.4 95 103 A L E -b 17 0A 0 -79,-2.2 -77,-2.6 -2,-0.4 2,-0.6 -0.973 16.8-147.7-107.2 128.0 6.5 1.4 35.9 96 104 A I E +b 18 0A 0 -2,-0.5 40,-2.4 36,-0.3 2,-0.3 -0.854 31.2 171.7 -86.7 125.7 7.5 -1.1 33.2 97 105 A V E +be 19 136A 0 -79,-3.0 -77,-3.2 -2,-0.6 2,-0.3 -0.950 9.5 120.9-137.8 157.1 7.9 0.8 29.9 98 106 A G E - e 0 137A 1 38,-1.5 40,-2.8 -2,-0.3 -77,-0.1 -0.942 56.3 -69.8 169.4 172.4 9.1 0.3 26.3 99 107 A V S > S- 0 0 2 -70,-0.5 3,-1.1 -79,-0.4 40,-0.2 -0.326 76.4 -64.7 -75.5 168.4 8.4 0.4 22.6 100 108 A P T 3 S+ 0 0 35 0, 0.0 -1,-0.2 0, 0.0 57,-0.0 -0.188 113.4 11.7 -55.6 144.1 6.1 -2.3 21.2 101 109 A N T 3 S+ 0 0 78 -3,-0.1 55,-0.1 1,-0.1 56,-0.0 0.298 80.5 121.5 83.5 -0.9 7.1 -6.0 21.3 102 110 A T S < S- 0 0 2 -3,-1.1 -56,-0.1 -82,-0.2 -1,-0.1 0.543 90.8 -91.1 -78.2 -8.2 10.1 -5.8 23.6 103 111 A G S > S+ 0 0 13 -83,-0.1 4,-2.2 -57,-0.1 5,-0.1 0.634 78.1 138.6 115.0 21.9 8.7 -8.3 26.2 104 112 A K H > S+ 0 0 14 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.872 74.6 46.0 -70.1 -42.2 6.9 -6.1 28.7 105 113 A S H > S+ 0 0 74 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.887 112.9 52.1 -66.4 -40.5 3.7 -8.2 29.2 106 114 A T H > S+ 0 0 59 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.904 109.5 49.2 -61.3 -45.7 5.9 -11.3 29.6 107 115 A I H X S+ 0 0 6 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.924 111.3 49.1 -60.8 -46.5 8.1 -9.6 32.2 108 116 A I H X S+ 0 0 3 -4,-2.2 4,-3.2 1,-0.2 5,-0.2 0.913 108.7 53.7 -58.9 -43.9 5.0 -8.5 34.2 109 117 A N H X S+ 0 0 99 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.912 111.2 45.4 -59.1 -44.2 3.6 -12.0 34.1 110 118 A K H < S+ 0 0 39 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.955 115.9 46.4 -60.4 -53.3 6.8 -13.4 35.5 111 119 A L H < S+ 0 0 1 -4,-2.8 -2,-0.2 -5,-0.1 -1,-0.2 0.879 119.8 40.6 -54.7 -43.7 6.9 -10.7 38.2 112 120 A K H >< S+ 0 0 45 -4,-3.2 3,-0.8 -5,-0.2 2,-0.2 0.983 80.0 172.1 -73.4 -61.6 3.2 -11.1 39.1 113 121 A G T 3< S- 0 0 45 -4,-2.4 -1,-0.1 -5,-0.2 -2,-0.1 -0.570 70.7 -24.5 80.5-149.1 2.6 -14.9 39.0 114 122 A K T 3 S+ 0 0 224 -2,-0.2 -1,-0.2 2,-0.0 -2,-0.1 0.482 118.4 102.1 -75.0 -3.6 -0.7 -16.2 40.3 115 123 A R < 0 0 118 -3,-0.8 -3,-0.1 1,-0.0 -2,-0.0 -0.233 360.0 360.0 -70.0 165.3 -1.0 -13.0 42.3 116 124 A A 0 0 106 -4,-0.1 8,-0.4 8,-0.1 -1,-0.0 -0.795 360.0 360.0-148.9 360.0 -3.1 -10.0 41.4 117 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 118 135 A K 0 0 236 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 55.8 -10.2 1.6 39.2 119 136 A G + 0 0 68 2,-0.0 2,-0.1 0, 0.0 0, 0.0 -0.345 360.0 6.7 74.0-151.3 -7.6 2.2 36.4 120 137 A I S S- 0 0 56 -2,-0.1 2,-0.3 1,-0.0 12,-0.0 -0.406 76.4-147.7 -62.5 136.3 -4.1 0.7 36.4 121 138 A Q - 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0 0 59 0, 0.0 3,-1.6 0, 0.0 4,-0.3 -0.330 14.3-124.9 -65.4 144.9 4.8 -3.6 11.5 159 176 A V G > S+ 0 0 19 1,-0.3 3,-1.7 2,-0.2 9,-0.1 0.833 111.1 64.9 -52.2 -37.0 5.5 -4.2 7.8 160 177 A E G 3 S+ 0 0 115 1,-0.3 -1,-0.3 3,-0.0 52,-0.0 0.743 96.7 55.3 -58.1 -29.7 2.1 -2.6 7.1 161 178 A R G < S+ 0 0 156 -3,-1.6 2,-0.6 2,-0.0 -1,-0.3 0.495 86.6 98.6 -83.8 -8.8 3.4 0.7 8.5 162 179 A I < + 0 0 20 -3,-1.7 3,-0.0 -4,-0.3 -3,-0.0 -0.741 39.0 168.0 -90.9 123.2 6.4 0.8 6.0 163 180 A E + 0 0 190 -2,-0.6 2,-0.5 1,-0.1 -1,-0.1 0.542 59.1 68.1-111.5 -12.3 5.8 2.9 3.0 164 181 A D >> - 0 0 54 1,-0.1 3,-1.5 -19,-0.0 4,-0.7 -0.955 65.7-150.8-115.8 123.9 9.4 3.1 1.5 165 182 A Q H 3> S+ 0 0 131 -2,-0.5 4,-2.2 1,-0.3 3,-0.1 0.724 94.3 72.2 -64.1 -22.6 10.9 -0.1 0.0 166 183 A R H 3> S+ 0 0 139 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.746 90.3 59.1 -64.6 -25.0 14.3 1.3 1.0 167 184 A I H <> S+ 0 0 24 -3,-1.5 4,-2.3 2,-0.2 -1,-0.2 0.901 106.1 46.9 -70.5 -41.1 13.4 0.5 4.6 168 185 A F H X S+ 0 0 23 -4,-0.7 4,-2.3 2,-0.2 -2,-0.2 0.915 113.4 49.2 -61.1 -45.2 12.9 -3.2 3.7 169 186 A E H X S+ 0 0 69 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.915 110.9 49.6 -59.6 -45.5 16.2 -3.1 1.9 170 187 A R H X S+ 0 0 59 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.915 111.3 49.3 -57.0 -50.5 18.0 -1.4 4.8 171 188 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.907 112.1 47.7 -57.8 -45.3 16.6 -4.0 7.2 172 189 A F H X S+ 0 0 8 -4,-2.3 4,-3.8 2,-0.2 5,-0.2 0.936 110.2 53.0 -62.5 -43.8 17.7 -6.9 4.9 173 190 A E H X S+ 0 0 102 -4,-2.9 4,-2.8 2,-0.2 -2,-0.2 0.924 110.8 46.8 -54.9 -47.1 21.2 -5.2 4.6 174 191 A I H X S+ 0 0 9 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.941 116.2 45.2 -61.6 -47.0 21.5 -5.1 8.4 175 192 A F H X S+ 0 0 7 -4,-2.5 4,-1.4 2,-0.2 5,-0.3 0.958 112.8 50.0 -57.6 -53.9 20.3 -8.7 8.7 176 193 A A H X>S+ 0 0 9 -4,-3.8 4,-1.8 1,-0.2 5,-0.6 0.907 114.1 45.0 -57.3 -47.2 22.6 -9.9 5.8 177 194 A R H <5S+ 0 0 183 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.907 111.1 52.9 -59.7 -44.4 25.6 -8.2 7.4 178 195 A S H <5S+ 0 0 54 -4,-2.4 49,-0.2 1,-0.2 -1,-0.2 0.666 121.1 32.3 -70.6 -17.4 24.9 -9.5 10.9 179 196 A I H <5S- 0 0 73 -4,-1.4 -1,-0.2 -3,-0.5 -2,-0.2 0.542 113.5-108.0-117.0 -13.8 24.6 -13.1 9.7 180 197 A G T <5 + 0 0 57 -4,-1.8 -3,-0.2 1,-0.3 -4,-0.1 0.196 64.5 147.1 107.2 -17.9 27.1 -13.2 6.9 181 198 A I < - 0 0 46 -5,-0.6 2,-0.4 -6,-0.2 -1,-0.3 -0.190 25.2-176.0 -49.4 138.1 24.8 -13.3 3.9 182 199 A E + 0 0 192 2,-0.0 2,-0.2 -5,-0.0 -9,-0.0 -0.941 36.4 117.7-127.3 123.4 25.7 -11.7 0.7 183 200 A S - 0 0 51 -2,-0.4 2,-0.1 0, 0.0 -7,-0.1 -0.836 67.9 -89.8-169.1 156.3 22.9 -12.0 -1.8 184 201 A S > - 0 0 51 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.457 31.0-124.2 -73.6 150.5 20.7 -9.4 -3.5 185 202 A F H > S+ 0 0 35 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.937 111.3 50.1 -52.1 -52.9 17.5 -8.3 -1.7 186 203 A S H > S+ 0 0 87 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.898 113.0 44.9 -57.9 -45.6 15.4 -9.2 -4.8 187 204 A E H > S+ 0 0 137 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.873 110.8 53.9 -67.3 -41.2 16.9 -12.7 -5.1 188 205 A F H X S+ 0 0 36 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.932 112.8 42.2 -59.9 -46.5 16.6 -13.4 -1.4 189 206 A F H X S+ 0 0 1 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.736 111.2 53.3 -80.1 -23.4 12.9 -12.7 -1.2 190 207 A E H X S+ 0 0 75 -4,-1.6 4,-1.5 -5,-0.2 -1,-0.2 0.939 113.9 45.1 -68.8 -46.9 11.9 -14.4 -4.4 191 208 A D H X S+ 0 0 74 -4,-2.2 4,-3.1 1,-0.2 -2,-0.2 0.898 113.1 49.3 -60.6 -43.5 13.7 -17.5 -3.1 192 209 A F H X S+ 0 0 18 -4,-2.3 4,-1.0 1,-0.2 -1,-0.2 0.880 109.2 53.1 -59.5 -43.2 12.1 -17.1 0.4 193 210 A A H <>S+ 0 0 0 -4,-1.6 5,-3.3 2,-0.2 13,-0.2 0.778 114.1 42.6 -66.3 -32.7 8.7 -16.7 -1.1 194 211 A R H ><5S+ 0 0 136 -4,-1.5 3,-1.9 3,-0.2 -2,-0.2 0.926 110.1 53.7 -76.1 -52.2 9.2 -19.9 -3.1 195 212 A K H 3<5S+ 0 0 153 -4,-3.1 -2,-0.2 1,-0.3 -3,-0.2 0.671 116.7 42.4 -58.5 -15.8 10.7 -22.0 -0.3 196 213 A R T 3<5S- 0 0 106 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.257 113.6-113.4-115.3 4.4 7.6 -21.1 1.8 197 214 A G T < 5 + 0 0 58 -3,-1.9 2,-1.0 1,-0.2 -3,-0.2 0.774 59.5 153.9 68.1 32.1 4.9 -21.5 -0.8 198 215 A L < + 0 0 7 -5,-3.3 8,-2.1 -6,-0.2 2,-0.4 -0.805 14.6 155.0 -98.8 100.7 3.9 -17.9 -1.0 199 216 A L B -G 205 0B 85 -2,-1.0 2,-0.1 6,-0.3 3,-0.1 -0.976 26.6-155.9-130.7 139.3 2.5 -17.4 -4.5 200 217 A K > - 0 0 116 4,-3.9 3,-1.5 -2,-0.4 4,-0.2 -0.223 51.3 -50.3 -93.0-170.0 0.0 -14.8 -5.8 201 218 A K G > S+ 0 0 194 1,-0.3 3,-0.7 2,-0.2 -1,-0.3 -0.361 130.3 32.8 -59.8 143.3 -2.3 -15.1 -8.8 202 219 A G G 3 S- 0 0 87 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.403 129.1 -85.1 86.0 -1.3 -0.5 -16.3 -11.9 203 220 A G G < S+ 0 0 39 -3,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.818 81.7 157.2 66.3 34.7 1.7 -18.3 -9.6 204 221 A V < - 0 0 78 -3,-0.7 -4,-3.9 -4,-0.2 -1,-0.2 -0.782 51.7-102.5 -91.5 131.2 4.0 -15.3 -9.0 205 222 A P B -G 199 0B 13 0, 0.0 2,-1.1 0, 0.0 -6,-0.3 -0.275 33.1-129.1 -47.9 128.0 6.1 -15.3 -5.7 206 223 A D > + 0 0 19 -8,-2.1 4,-1.8 -13,-0.2 5,-0.1 -0.742 29.4 178.4 -88.2 97.6 4.4 -13.0 -3.2 207 224 A I H > S+ 0 0 56 -2,-1.1 4,-2.7 1,-0.2 5,-0.2 0.870 78.1 59.1 -68.3 -39.1 7.2 -10.7 -2.0 208 225 A E H > S+ 0 0 145 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.914 111.4 41.3 -53.6 -44.5 5.0 -8.6 0.2 209 226 A R H > S+ 0 0 134 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.806 111.7 55.2 -75.2 -34.4 4.0 -11.8 2.2 210 227 A A H X S+ 0 0 0 -4,-1.8 4,-3.1 2,-0.2 5,-0.2 0.919 109.5 48.6 -61.2 -45.0 7.6 -13.1 2.2 211 228 A L H X S+ 0 0 14 -4,-2.7 4,-2.5 2,-0.2 5,-0.3 0.939 111.8 47.9 -59.9 -52.0 8.7 -9.8 3.7 212 229 A M H X S+ 0 0 79 -4,-2.0 4,-1.7 -5,-0.2 -2,-0.2 0.943 118.5 40.5 -52.6 -52.1 6.0 -9.9 6.4 213 230 A L H X S+ 0 0 53 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.883 113.9 52.9 -67.7 -41.8 6.8 -13.5 7.3 214 231 A F H X S+ 0 0 6 -4,-3.1 4,-2.7 -5,-0.2 -2,-0.2 0.964 113.3 42.3 -59.3 -51.5 10.6 -13.1 7.0 215 232 A F H X S+ 0 0 4 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.800 111.7 55.0 -71.2 -26.4 10.8 -10.2 9.4 216 233 A T H X S+ 0 0 55 -4,-1.7 4,-1.4 -5,-0.3 -1,-0.2 0.939 111.1 46.2 -66.6 -46.7 8.3 -11.8 11.8 217 234 A E H <>S+ 0 0 31 -4,-2.6 5,-2.5 2,-0.2 6,-0.5 0.898 112.0 49.8 -60.7 -43.9 10.6 -14.8 11.9 218 235 A V H ><5S+ 0 0 4 -4,-2.7 3,-1.6 1,-0.2 5,-0.3 0.930 109.2 52.5 -57.4 -46.4 13.7 -12.5 12.4 219 236 A A H 3<5S+ 0 0 7 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.802 108.6 51.4 -61.0 -32.8 11.9 -10.7 15.3 220 237 A Q T 3<5S- 0 0 102 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.447 116.7-113.2 -83.4 -4.1 11.2 -14.1 16.9 221 238 A G T X 5S+ 0 0 17 -3,-1.6 3,-0.7 -4,-0.4 -3,-0.2 0.656 82.1 125.6 77.9 16.0 14.8 -15.2 16.7 222 239 A K T 3 < + 0 0 145 -5,-2.5 -4,-0.2 1,-0.2 3,-0.1 0.444 66.4 58.0 -85.8 0.1 13.9 -17.9 14.2 223 240 A A T 3 S- 0 0 22 -6,-0.5 -1,-0.2 1,-0.4 -5,-0.1 0.071 123.1 -59.8-118.3 21.6 16.5 -16.7 11.6 224 241 A G < - 0 0 34 -3,-0.7 2,-1.1 2,-0.1 -1,-0.4 -0.095 58.8 -74.5 112.9 146.8 19.6 -17.0 13.8 225 242 A R S S+ 0 0 124 -3,-0.1 2,-0.3 -174,-0.1 -174,-0.2 -0.678 78.6 152.4 -68.0 97.8 21.1 -15.6 17.1 226 243 A V - 0 0 8 -176,-1.4 2,-0.3 -2,-1.1 -47,-0.1 -0.987 38.2-153.0-144.4 134.9 21.8 -12.3 15.6 227 244 A S - 0 0 8 -2,-0.3 -202,-0.1 -49,-0.2 -203,-0.1 -0.757 4.8-156.1-107.3 164.3 22.1 -8.6 16.8 228 245 A F S S+ 0 0 7 -204,-3.3 2,-0.3 -2,-0.3 -203,-0.2 0.468 71.3 39.2-121.9 -6.6 21.4 -5.5 14.8 229 246 A E - 0 0 14 -205,-1.0 -1,-0.2 -206,-0.2 5,-0.1 -0.984 57.0-160.5-146.3 146.9 23.4 -2.8 16.5 230 247 A R > - 0 0 87 4,-1.5 3,-0.7 -2,-0.3 -174,-0.1 -0.952 26.1-128.3-125.8 145.4 26.9 -2.5 18.1 231 248 A P T 3 S+ 0 0 11 0, 0.0 -176,-0.0 0, 0.0 -172,-0.0 0.610 108.5 66.9 -38.6 -34.8 27.9 0.3 20.6 232 249 A E T 3 S- 0 0 76 0, 0.0 -3,-0.0 0, 0.0 -173,-0.0 -0.649 123.8 -98.4 171.2 -23.8 30.4 0.5 18.5 233 250 A D < 0 0 124 -3,-0.7 -3,-0.2 1,-0.2 0, 0.0 -0.928 360.0 360.0-120.7 12.5 28.9 1.6 16.0 234 251 A I 0 0 108 -5,-0.1 -4,-1.5 0, 0.0 -1,-0.2 0.814 360.0 360.0 -77.7 360.0 28.0 -1.1 13.4