==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 04-FEB-10 3LP8 . COMPND 2 MOLECULE: PHOSPHORIBOSYLAMINE-GLYCINE LIGASE; . SOURCE 2 ORGANISM_SCIENTIFIC: EHRLICHIA CHAFFEENSIS; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE . 421 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17065.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 299 71.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 87 20.7 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 0.2 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 . 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 . 31 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 99 23.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 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 3 0 1 1 0 6 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 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 0 0 0 PARALLEL BRIDGES PER LADDER . 2 4 0 4 2 1 1 1 0 1 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 1 1 2 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 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 -1 A G 0 0 70 0, 0.0 26,-0.2 0, 0.0 25,-0.2 0.000 360.0 360.0 360.0 155.4 -5.4 12.2 33.0 2 0 A S + 0 0 105 24,-0.7 2,-0.5 26,-0.1 25,-0.2 0.459 360.0 106.1-117.8 -3.2 -7.5 9.1 33.4 3 1 A M E -a 27 0A 14 23,-2.3 25,-3.4 25,-0.1 2,-0.5 -0.662 53.1-156.3 -86.2 119.7 -6.1 6.8 30.6 4 2 A N E - 0 0 21 -2,-0.5 62,-2.5 60,-0.3 63,-1.6 -0.842 17.5-163.1 -93.7 132.3 -3.9 3.9 31.7 5 3 A V E -ab 30 67A 0 24,-2.3 26,-2.5 -2,-0.5 2,-0.5 -0.950 15.2-163.6-126.4 135.6 -1.7 2.9 28.9 6 4 A L E -ab 31 68A 0 61,-2.3 63,-2.4 -2,-0.4 2,-0.4 -0.985 9.0-160.0-119.5 114.5 0.3 -0.3 28.3 7 5 A V E -ab 32 69A 0 24,-2.7 26,-2.4 -2,-0.5 2,-0.5 -0.813 10.4-145.5 -91.7 134.5 3.1 -0.3 25.7 8 6 A I E +ab 33 70A 0 61,-2.9 63,-2.5 -2,-0.4 2,-0.2 -0.899 56.7 44.9-103.0 122.9 4.3 -3.7 24.4 9 7 A G E -a 34 0A 1 24,-2.8 26,-1.9 -2,-0.5 -2,-0.1 -0.780 61.7-124.5 138.2-173.2 8.0 -4.1 23.5 10 8 A S + 0 0 38 -2,-0.2 2,-0.1 24,-0.2 -1,-0.1 0.194 64.3 93.5-158.8 24.7 11.5 -3.4 24.7 11 9 A G S > S- 0 0 14 357,-0.1 4,-1.9 25,-0.0 5,-0.2 -0.440 87.0 -81.2-116.6-172.7 13.6 -1.4 22.2 12 10 A G H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.861 123.5 58.5 -60.2 -38.3 14.5 2.2 21.4 13 11 A R H > S+ 0 0 19 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.933 109.0 45.1 -54.6 -47.2 11.3 2.8 19.5 14 12 A E H > S+ 0 0 3 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.868 109.1 54.3 -69.3 -37.2 9.3 2.0 22.6 15 13 A H H X S+ 0 0 16 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.922 110.9 47.8 -63.0 -41.8 11.5 4.0 24.9 16 14 A S H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.914 109.3 53.0 -61.2 -44.2 10.8 7.0 22.6 17 15 A M H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 5,-0.3 0.938 109.2 49.4 -56.8 -48.8 7.1 6.2 22.6 18 16 A L H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.933 107.9 53.8 -54.4 -51.1 7.1 6.3 26.5 19 17 A H H < S+ 0 0 58 -4,-2.4 4,-0.4 1,-0.2 -1,-0.2 0.933 116.8 38.1 -50.6 -45.8 8.9 9.6 26.5 20 18 A H H >< S+ 0 0 18 -4,-2.3 3,-0.6 1,-0.2 287,-0.3 0.816 112.8 53.5 -83.1 -32.0 6.3 11.1 24.2 21 19 A I H >< S+ 0 0 0 -4,-3.0 3,-2.1 1,-0.2 6,-0.2 0.882 100.5 65.4 -61.9 -37.4 3.2 9.4 25.7 22 20 A R T 3< S+ 0 0 112 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.719 91.8 64.0 -60.2 -22.7 4.3 10.8 29.1 23 21 A K T < S+ 0 0 134 -3,-0.6 -1,-0.3 -4,-0.4 2,-0.3 0.605 80.4 106.7 -74.0 -13.3 3.7 14.3 27.8 24 22 A S X - 0 0 7 -3,-2.1 3,-1.1 -4,-0.2 -3,-0.0 -0.509 62.4-150.3 -77.5 133.4 -0.1 13.8 27.3 25 23 A T T 3 S+ 0 0 119 -2,-0.3 -1,-0.1 1,-0.2 -3,-0.0 0.581 98.0 66.1 -67.5 -11.7 -2.5 15.4 29.7 26 24 A L T 3 S+ 0 0 65 -25,-0.2 -23,-2.3 -24,-0.1 -24,-0.7 0.624 81.8 100.0 -81.0 -13.7 -4.8 12.4 29.0 27 25 A L E < +a 3 0A 7 -3,-1.1 -23,-0.2 -26,-0.2 3,-0.1 -0.554 36.4 166.4 -83.4 137.1 -2.4 9.9 30.6 28 26 A N E + 0 0 92 -25,-3.4 2,-0.3 1,-0.4 -24,-0.2 0.673 70.0 3.7-102.0 -85.8 -2.9 8.5 34.1 29 27 A K E - 0 0 31 -27,-0.1 -24,-2.3 34,-0.1 2,-0.4 -0.797 67.0-152.9-105.8 143.1 -0.5 5.5 34.7 30 28 A L E +a 5 0A 12 -2,-0.3 14,-2.2 -26,-0.2 2,-0.3 -0.969 16.0 174.8-123.4 129.9 2.0 4.2 32.2 31 29 A F E -ac 6 44A 8 -26,-2.5 -24,-2.7 -2,-0.4 2,-0.4 -0.884 13.2-161.2-129.0 153.7 3.3 0.7 31.8 32 30 A I E -ac 7 45A 0 12,-2.5 14,-3.1 -2,-0.3 -24,-0.2 -0.994 18.5-128.7-137.6 136.1 5.6 -1.3 29.5 33 31 A A E S-a 8 0A 0 -26,-2.4 -24,-2.8 -2,-0.4 14,-0.1 -0.997 89.4 -17.5-127.5 125.6 5.9 -5.0 29.0 34 32 A P E S+a 9 0A 34 0, 0.0 -24,-0.2 0, 0.0 -1,-0.1 -0.954 95.1 154.1 -84.6 -11.4 8.6 -6.3 29.1 35 33 A G - 0 0 8 -26,-1.9 2,-0.3 10,-0.1 -2,-0.1 -0.231 46.2 -91.8 62.2-156.8 10.4 -2.9 28.7 36 34 A R > - 0 0 35 1,-0.1 3,-1.9 -25,-0.1 4,-0.2 -0.964 23.8-110.8-153.2 155.2 13.9 -2.5 30.1 37 35 A E G > S+ 0 0 115 -2,-0.3 3,-2.6 1,-0.3 4,-0.2 0.894 114.9 64.1 -60.0 -41.1 15.2 -1.3 33.4 38 36 A G G 3 S+ 0 0 18 1,-0.3 3,-0.3 331,-0.2 -1,-0.3 0.663 101.2 52.5 -56.4 -15.6 16.7 1.8 31.7 39 37 A M G X> S+ 0 0 1 -3,-1.9 3,-2.0 1,-0.2 4,-0.9 0.408 77.7 102.0 -96.0 -0.4 13.1 2.9 30.9 40 38 A S T <4 + 0 0 65 -3,-2.6 -1,-0.2 1,-0.3 -2,-0.1 0.681 67.8 68.5 -66.0 -18.2 11.9 2.5 34.5 41 39 A G T 34 S+ 0 0 81 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.784 109.0 37.3 -61.2 -28.3 11.9 6.3 35.0 42 40 A L T <4 S+ 0 0 40 -3,-2.0 2,-0.3 1,-0.2 -2,-0.2 0.655 126.6 4.1 -99.9 -21.5 9.0 6.7 32.6 43 41 A A S < S- 0 0 7 -4,-0.9 2,-0.4 -14,-0.1 -12,-0.3 -0.993 76.4 -89.2-163.3 154.5 6.9 3.7 33.3 44 42 A D E -c 31 0A 104 -14,-2.2 -12,-2.5 -2,-0.3 2,-0.4 -0.684 44.6-133.2 -73.8 127.5 6.4 0.6 35.4 45 43 A I E -c 32 0A 58 -2,-0.4 2,-0.5 -14,-0.2 -12,-0.2 -0.727 17.5-158.0 -83.6 126.0 8.2 -2.3 33.9 46 44 A I - 0 0 30 -14,-3.1 2,-1.3 -2,-0.4 13,-0.0 -0.934 7.8-146.7-111.5 119.9 6.1 -5.5 33.7 47 45 A D + 0 0 153 -2,-0.5 2,-0.3 -14,-0.1 -14,-0.1 -0.656 48.2 125.6 -87.8 91.8 7.9 -8.8 33.4 48 46 A I - 0 0 26 -2,-1.3 2,-0.9 11,-0.0 -2,-0.1 -0.954 67.9-103.2-137.9 162.0 5.7 -11.0 31.2 49 47 A D > - 0 0 83 -2,-0.3 3,-1.9 1,-0.2 7,-0.3 -0.789 28.8-162.1 -83.9 109.0 6.1 -13.1 28.1 50 48 A I T 3 S+ 0 0 26 -2,-0.9 -1,-0.2 1,-0.3 6,-0.1 0.629 85.5 71.5 -74.2 -11.5 4.4 -10.8 25.5 51 49 A N T 3 S+ 0 0 98 1,-0.1 2,-0.8 -3,-0.0 -1,-0.3 0.520 83.7 83.9 -75.5 -7.8 4.1 -13.9 23.2 52 50 A S <> - 0 0 29 -3,-1.9 4,-2.3 1,-0.2 5,-0.2 -0.855 62.3-169.0 -99.5 100.1 1.4 -15.0 25.6 53 51 A T H > S+ 0 0 44 -2,-0.8 4,-2.7 1,-0.2 5,-0.2 0.905 89.2 56.2 -43.2 -48.8 -1.9 -13.4 24.8 54 52 A I H > S+ 0 0 112 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.909 106.2 48.3 -60.0 -44.7 -3.2 -14.7 28.1 55 53 A E H > S+ 0 0 69 -6,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.919 111.4 50.4 -63.6 -39.2 -0.5 -13.0 30.1 56 54 A V H X S+ 0 0 0 -4,-2.3 4,-2.2 -7,-0.3 -2,-0.2 0.969 110.9 48.7 -62.9 -48.1 -1.0 -9.7 28.3 57 55 A I H X S+ 0 0 20 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.861 108.9 54.2 -57.6 -39.4 -4.8 -9.8 29.0 58 56 A Q H X S+ 0 0 118 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.907 107.7 49.6 -64.7 -42.7 -4.1 -10.6 32.7 59 57 A V H X S+ 0 0 18 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.917 109.3 52.9 -59.5 -42.1 -1.9 -7.5 33.0 60 58 A C H <>S+ 0 0 4 -4,-2.2 5,-2.2 2,-0.2 4,-0.5 0.876 113.1 42.6 -62.8 -39.1 -4.7 -5.4 31.3 61 59 A K H ><5S+ 0 0 118 -4,-2.0 3,-0.9 3,-0.2 -2,-0.2 0.953 115.5 48.9 -71.4 -50.5 -7.3 -6.6 33.8 62 60 A K H 3<5S+ 0 0 79 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.933 120.9 35.4 -51.7 -50.3 -5.0 -6.3 36.9 63 61 A E T 3<5S- 0 0 81 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.355 105.3-120.0 -92.7 5.3 -3.9 -2.8 36.0 64 62 A K T < 5 - 0 0 67 -3,-0.9 2,-0.4 -4,-0.5 -60,-0.3 0.972 42.1-170.6 55.7 55.5 -7.1 -1.4 34.5 65 63 A I < - 0 0 13 -5,-2.2 -60,-0.2 1,-0.1 -1,-0.2 -0.668 19.5-179.3 -82.1 131.3 -5.5 -0.7 31.1 66 64 A E + 0 0 77 -62,-2.5 24,-0.7 -2,-0.4 2,-0.4 0.736 69.5 30.1-102.1 -28.3 -7.6 1.3 28.7 67 65 A L E -bd 5 90A 0 -63,-1.6 -61,-2.3 22,-0.1 2,-0.4 -0.984 61.3-161.5-135.1 128.7 -5.2 1.4 25.7 68 66 A V E -bd 6 91A 0 22,-2.3 24,-3.8 -2,-0.4 2,-0.5 -0.900 7.2-162.7-103.2 131.1 -2.6 -1.1 24.6 69 67 A V E -bd 7 92A 0 -63,-2.4 -61,-2.9 -2,-0.4 2,-0.6 -0.969 9.9-151.8-115.9 109.5 0.1 0.3 22.1 70 68 A I E -b 8 0A 2 22,-1.9 220,-0.3 -2,-0.5 -61,-0.1 -0.776 13.5-176.5 -92.4 119.4 2.0 -2.6 20.4 71 69 A G + 0 0 0 -63,-2.5 219,-0.2 -2,-0.6 -62,-0.2 0.970 58.3 48.8 -75.3 -61.7 5.5 -1.7 19.4 72 70 A P S > S- 0 0 22 0, 0.0 4,-0.6 0, 0.0 219,-0.1 -0.418 73.7-123.7 -93.5 167.2 6.9 -4.7 17.5 73 71 A E H > S+ 0 0 18 1,-0.2 4,-2.3 2,-0.2 3,-0.4 0.786 93.2 71.0 -76.4 -36.1 5.6 -6.9 14.6 74 72 A T H > S+ 0 0 45 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.909 98.9 47.4 -58.7 -45.8 5.7 -10.4 16.1 75 73 A P H 4>S+ 0 0 3 0, 0.0 5,-2.7 0, 0.0 6,-0.3 0.851 111.2 53.7 -64.8 -28.1 2.8 -10.0 18.5 76 74 A L H ><5S+ 0 0 0 -4,-0.6 3,-1.5 -3,-0.4 -2,-0.2 0.939 109.0 47.8 -66.1 -45.3 0.7 -8.4 15.7 77 75 A M H 3<5S+ 0 0 63 -4,-2.3 -1,-0.2 1,-0.3 -3,-0.2 0.835 109.4 55.1 -60.4 -35.8 1.4 -11.5 13.5 78 76 A N T 3<5S- 0 0 73 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.394 119.2-110.5 -82.8 6.3 0.4 -13.6 16.5 79 77 A G T <>5 + 0 0 7 -3,-1.5 4,-2.3 -4,-0.1 -3,-0.2 0.744 67.2 146.0 76.7 26.2 -3.0 -11.9 16.8 80 78 A L H > S+ 0 0 4 13,-0.3 4,-2.4 -6,-0.3 -1,-0.2 0.930 108.2 47.5 -63.2 -45.5 -4.6 -7.2 18.7 82 80 A D H > S+ 0 0 64 12,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.901 110.5 52.5 -60.4 -42.4 -7.5 -9.6 18.0 83 81 A A H X S+ 0 0 23 -4,-2.3 4,-0.6 2,-0.2 -1,-0.2 0.881 111.6 46.0 -64.3 -39.7 -7.2 -11.2 21.4 84 82 A L H ><>S+ 0 0 0 -4,-2.3 5,-2.3 2,-0.2 3,-0.7 0.916 112.1 50.2 -66.0 -46.1 -7.4 -7.8 23.1 85 83 A T H ><5S+ 0 0 82 -4,-2.4 3,-2.0 1,-0.3 -2,-0.2 0.908 104.9 57.7 -59.8 -44.4 -10.3 -6.6 21.0 86 84 A E H 3<5S+ 0 0 163 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.753 107.5 49.2 -56.3 -27.9 -12.2 -9.8 21.8 87 85 A E T <<5S- 0 0 93 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.407 121.0-108.9 -90.2 0.5 -11.8 -8.8 25.5 88 86 A G T < 5S+ 0 0 71 -3,-2.0 2,-0.5 1,-0.3 -3,-0.2 0.800 72.8 139.5 75.4 30.5 -13.1 -5.3 24.9 89 87 A I < - 0 0 18 -5,-2.3 -1,-0.3 -6,-0.1 -2,-0.2 -0.929 56.4-119.1-107.5 124.2 -9.7 -3.7 25.4 90 88 A L E -d 67 0A 48 -24,-0.7 -22,-2.3 -2,-0.5 2,-0.4 -0.405 35.7-170.6 -58.2 130.9 -8.7 -0.8 23.1 91 89 A V E -d 68 0A 10 223,-0.2 2,-0.9 -24,-0.2 -22,-0.2 -0.992 24.3-147.0-131.4 131.4 -5.6 -1.6 21.1 92 90 A F E S+d 69 0A 3 -24,-3.8 -22,-1.9 -2,-0.4 176,-0.1 -0.870 71.5 67.4 -91.3 105.2 -3.4 0.5 18.8 93 91 A G S S- 0 0 6 -2,-0.9 175,-0.1 174,-0.3 196,-0.1 -0.637 83.1 -82.6 154.6 151.5 -2.2 -2.1 16.2 94 92 A P - 0 0 0 0, 0.0 -13,-0.3 0, 0.0 -12,-0.2 -0.200 41.4 -99.9 -75.1 161.6 -3.7 -4.1 13.3 95 93 A S > - 0 0 27 170,-0.5 4,-2.7 -14,-0.2 5,-0.2 -0.280 40.9-104.9 -62.9 160.2 -5.6 -7.4 13.3 96 94 A K H > S+ 0 0 104 1,-0.2 4,-0.6 2,-0.2 7,-0.2 0.897 123.5 52.6 -55.9 -42.3 -3.6 -10.5 12.3 97 95 A A H >4 S+ 0 0 41 1,-0.2 3,-0.6 2,-0.2 -1,-0.2 0.882 112.5 43.5 -64.6 -40.8 -5.3 -10.4 8.9 98 96 A A H >4 S+ 0 0 0 1,-0.2 3,-1.6 167,-0.2 -1,-0.2 0.847 104.3 66.0 -72.5 -32.1 -4.4 -6.8 8.3 99 97 A A H >X S+ 0 0 1 -4,-2.7 4,-2.6 1,-0.3 3,-2.0 0.636 76.7 87.0 -67.1 -14.9 -0.8 -7.5 9.7 100 98 A R H X - 0 0 7 -4,-1.6 4,-1.5 -5,-0.2 3,-0.7 -0.884 64.0-171.0-132.3 108.6 3.9 -11.8 4.1 105 103 A K H 3> S+ 0 0 28 42,-2.1 4,-2.1 -2,-0.4 -1,-0.1 0.861 92.7 58.8 -61.9 -34.7 5.7 -9.5 1.7 106 104 A G H 3> S+ 0 0 4 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.810 97.7 59.5 -60.7 -33.8 4.1 -11.6 -1.1 107 105 A F H <> S+ 0 0 53 -3,-0.7 4,-2.0 -7,-0.3 -2,-0.2 0.952 108.6 44.7 -56.5 -49.6 0.7 -10.6 0.3 108 106 A T H X S+ 0 0 5 -4,-1.5 4,-2.5 -8,-0.4 -2,-0.2 0.930 110.6 53.5 -63.9 -42.9 1.5 -7.0 -0.3 109 107 A K H X S+ 0 0 5 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.919 109.8 47.8 -62.1 -43.9 3.0 -7.6 -3.8 110 108 A E H X S+ 0 0 118 -4,-2.3 4,-3.0 2,-0.2 -1,-0.2 0.908 110.6 51.5 -60.4 -44.6 -0.2 -9.4 -4.9 111 109 A L H X S+ 0 0 12 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.918 109.9 50.6 -58.5 -43.3 -2.4 -6.7 -3.6 112 110 A C H X>S+ 0 0 2 -4,-2.5 5,-2.4 2,-0.2 4,-0.8 0.923 112.3 46.5 -61.1 -43.3 -0.2 -4.2 -5.5 113 111 A M H ><5S+ 0 0 97 -4,-2.4 3,-0.7 3,-0.2 -2,-0.2 0.953 116.2 44.3 -63.8 -48.1 -0.6 -6.1 -8.7 114 112 A R H 3<5S+ 0 0 182 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.845 121.8 36.8 -67.8 -37.1 -4.3 -6.6 -8.3 115 113 A Y H 3<5S- 0 0 83 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.272 110.9-112.0-103.2 8.4 -5.1 -3.0 -7.3 116 114 A G T <<5 + 0 0 64 -4,-0.8 -3,-0.2 -3,-0.7 -4,-0.1 0.901 56.2 160.7 66.0 46.0 -2.5 -1.2 -9.5 117 115 A I < - 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