==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 15-OCT-10 3P8V . COMPND 2 MOLECULE: ASNS-LIKE ASPARAGINYL-TRNA SYNTHETASE RELATED PRO . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS ABYSSI; . AUTHOR M.BLAISE,D.KERN . 590 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22567.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 387 65.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 100 16.9 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 29 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 161 27.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 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 1 1 4 2 4 1 1 0 0 0 0 0 0 0 1 1 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 0 0 PARALLEL BRIDGES PER LADDER . 2 4 0 4 2 2 2 0 2 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 2 0 0 0 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 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 M 0 0 136 0, 0.0 292,-0.4 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 142.8 -1.6 -12.3 -27.8 2 2 A N > - 0 0 93 291,-0.1 4,-2.2 290,-0.1 3,-0.4 -0.424 360.0 -96.3 -83.4 164.5 -0.1 -9.7 -30.2 3 3 A A H > S+ 0 0 1 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.879 121.5 44.8 -49.1 -54.8 -2.1 -6.9 -31.7 4 4 A V H > S+ 0 0 43 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.851 112.6 53.0 -63.1 -34.2 -2.9 -8.4 -35.1 5 5 A E H > S+ 0 0 92 -3,-0.4 4,-0.6 1,-0.2 3,-0.5 0.901 107.7 51.8 -66.2 -41.4 -3.9 -11.7 -33.4 6 6 A I H >< S+ 0 0 8 -4,-2.2 3,-0.9 1,-0.2 -2,-0.2 0.906 109.2 47.9 -62.6 -44.3 -6.3 -9.9 -31.1 7 7 A I H 3< S+ 0 0 7 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.656 103.5 65.4 -73.7 -12.8 -8.2 -8.1 -33.8 8 8 A S H 3< S+ 0 0 75 -4,-0.7 -1,-0.2 -3,-0.5 -2,-0.2 0.651 77.2 106.0 -84.8 -16.8 -8.5 -11.3 -35.8 9 9 A R S << S- 0 0 46 -3,-0.9 2,-0.9 -4,-0.6 3,-0.0 -0.263 72.8-124.8 -64.6 150.0 -10.8 -13.1 -33.3 10 10 A D + 0 0 143 1,-0.1 4,-0.1 2,-0.0 3,-0.1 -0.825 50.9 144.5 -96.7 98.6 -14.5 -13.6 -34.1 11 11 A I > + 0 0 9 -2,-0.9 4,-2.1 370,-0.3 5,-0.2 0.101 29.6 115.9-120.7 19.4 -16.3 -12.1 -31.1 12 12 A Y H > S+ 0 0 77 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.924 78.0 49.9 -54.1 -48.3 -19.3 -10.6 -33.0 13 13 A K H > S+ 0 0 167 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.897 109.9 50.3 -59.2 -44.4 -21.7 -12.9 -31.1 14 14 A A H > S+ 0 0 5 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.879 112.5 46.8 -62.4 -39.0 -20.3 -12.0 -27.7 15 15 A I H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 316,-0.4 0.836 109.0 54.4 -74.7 -33.4 -20.6 -8.3 -28.4 16 16 A D H X S+ 0 0 52 -4,-2.3 4,-1.7 -5,-0.2 -2,-0.2 0.929 111.9 45.3 -61.7 -45.3 -24.1 -8.7 -29.8 17 17 A I H X S+ 0 0 11 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.907 110.0 54.6 -63.6 -42.0 -25.1 -10.4 -26.5 18 18 A Q H X S+ 0 0 2 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.894 106.0 52.7 -59.3 -39.9 -23.2 -7.7 -24.5 19 19 A T H X S+ 0 0 12 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.918 110.6 46.6 -62.5 -44.9 -25.3 -5.0 -26.3 20 20 A K H X S+ 0 0 76 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.862 112.2 51.0 -66.4 -36.9 -28.6 -6.8 -25.4 21 21 A I H X S+ 0 0 0 -4,-2.4 4,-3.2 2,-0.2 5,-0.2 0.934 110.8 47.3 -66.0 -47.5 -27.4 -7.3 -21.8 22 22 A L H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 5,-0.3 0.900 112.7 50.0 -61.8 -40.4 -26.5 -3.6 -21.3 23 23 A D H X S+ 0 0 71 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.946 114.8 44.5 -61.0 -47.6 -29.8 -2.5 -22.8 24 24 A Y H X S+ 0 0 37 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.928 115.3 46.1 -62.6 -47.9 -31.7 -4.8 -20.5 25 25 A M H X S+ 0 0 0 -4,-3.2 4,-1.4 2,-0.2 -1,-0.2 0.891 112.9 47.6 -68.9 -41.3 -29.8 -4.0 -17.3 26 26 A T H X S+ 0 0 7 -4,-2.3 4,-2.4 -5,-0.2 5,-0.2 0.919 113.4 48.4 -66.8 -41.8 -29.8 -0.2 -17.8 27 27 A K H X S+ 0 0 107 -4,-1.9 4,-2.7 -5,-0.3 5,-0.2 0.876 104.0 62.2 -61.9 -37.5 -33.6 -0.2 -18.6 28 28 A F H < S+ 0 0 10 -4,-2.0 4,-0.5 1,-0.2 -1,-0.2 0.919 111.7 37.5 -54.6 -44.7 -34.2 -2.4 -15.5 29 29 A F H ><>S+ 0 0 1 -4,-1.4 5,-2.3 2,-0.2 3,-0.7 0.902 115.5 49.5 -78.6 -42.2 -32.9 0.3 -13.3 30 30 A T H ><5S+ 0 0 27 -4,-2.4 3,-1.6 1,-0.2 -2,-0.2 0.871 106.1 59.1 -66.6 -33.1 -34.3 3.4 -15.0 31 31 A D T 3<5S+ 0 0 94 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.763 105.4 50.9 -60.7 -27.0 -37.7 1.7 -15.1 32 32 A R T < 5S- 0 0 76 -3,-0.7 -1,-0.3 -4,-0.5 -2,-0.2 0.114 125.7-100.1-102.9 20.3 -37.5 1.6 -11.3 33 33 A G T < 5 + 0 0 39 -3,-1.6 -3,-0.2 1,-0.2 2,-0.2 0.655 68.5 153.3 75.9 17.8 -36.6 5.3 -10.9 34 34 A F < - 0 0 6 -5,-2.3 2,-0.3 55,-0.1 57,-0.3 -0.534 43.2-123.2 -74.3 146.5 -32.9 4.9 -10.4 35 35 A K E -a 91 0A 20 55,-3.0 57,-2.3 53,-0.2 2,-0.7 -0.705 18.7-131.2 -89.0 143.9 -30.7 7.8 -11.4 36 36 A W E -a 92 0A 3 274,-0.4 2,-0.2 -2,-0.3 57,-0.2 -0.845 28.0-171.4-103.5 105.9 -27.9 7.2 -13.9 37 37 A L E -a 93 0A 7 55,-3.0 57,-0.6 -2,-0.7 273,-0.0 -0.610 20.1-122.8 -95.3 157.4 -24.5 8.5 -12.8 38 38 A L - 0 0 23 -2,-0.2 57,-0.1 55,-0.1 -1,-0.0 -0.699 35.4-106.1 -94.9 152.6 -21.2 8.8 -14.7 39 39 A P - 0 0 20 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.271 17.8-142.9 -77.5 159.2 -18.1 7.1 -13.4 40 40 A I - 0 0 11 56,-0.1 3,-0.1 1,-0.1 39,-0.1 -0.957 13.4-177.6-114.1 144.1 -15.0 8.7 -11.7 41 41 A M + 0 0 0 -2,-0.4 32,-1.5 1,-0.2 2,-0.4 0.596 67.6 46.7-112.1 -19.6 -11.6 7.2 -12.5 42 42 A L E +H 72 0B 1 30,-0.2 -1,-0.2 31,-0.0 30,-0.2 -0.992 62.5 142.8-132.1 130.8 -9.3 9.4 -10.3 43 43 A S E -H 71 0B 0 28,-1.6 28,-3.4 -2,-0.4 546,-0.1 -0.988 57.2-115.3-159.6 155.3 -9.8 10.3 -6.6 44 44 A P S S+ 0 0 28 0, 0.0 2,-0.3 0, 0.0 200,-0.1 0.770 105.0 43.8 -64.6 -22.4 -7.8 10.9 -3.4 45 45 A I + 0 0 1 26,-0.1 2,-0.3 198,-0.1 198,-0.1 -0.913 64.7 160.6-124.6 150.1 -9.8 7.9 -2.0 46 46 A T - 0 0 6 196,-0.4 30,-0.1 -2,-0.3 27,-0.1 -0.983 49.7 -65.1-156.1 167.7 -10.8 4.5 -3.3 47 47 A D - 0 0 0 28,-1.0 27,-0.1 -2,-0.3 29,-0.0 -0.322 37.7-150.0 -50.9 123.8 -12.0 1.0 -2.2 48 48 A P - 0 0 20 0, 0.0 -1,-0.1 0, 0.0 9,-0.0 0.724 14.6-146.9 -72.7 -19.7 -9.1 -0.6 -0.2 49 49 A L + 0 0 14 1,-0.1 8,-0.4 2,-0.1 9,-0.2 0.784 53.4 140.7 56.0 30.1 -10.2 -4.2 -1.3 50 50 A W + 0 0 106 1,-0.3 143,-0.4 7,-0.1 2,-0.2 -0.960 42.1 29.8-164.1 143.7 -9.0 -5.3 2.2 51 51 A P S S+ 0 0 45 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.674 88.6 135.4 -61.7 153.3 -9.6 -7.1 4.4 52 52 A D > - 0 0 24 139,-0.2 3,-2.5 3,-0.2 5,-0.2 -0.665 52.4-147.8-174.0 112.7 -11.2 -9.4 1.9 53 53 A P T 3 S+ 0 0 63 0, 0.0 138,-0.1 0, 0.0 -1,-0.0 0.710 102.9 60.7 -56.8 -20.7 -10.9 -13.2 1.5 54 54 A A T 3 S+ 0 0 39 -3,-0.0 2,-0.2 2,-0.0 -4,-0.0 0.597 102.9 61.6 -82.3 -12.6 -11.3 -12.7 -2.2 55 55 A G < - 0 0 21 -3,-2.5 -3,-0.2 -6,-0.1 -6,-0.0 -0.639 65.4-143.8-115.3 170.0 -8.2 -10.5 -2.5 56 56 A E - 0 0 83 -2,-0.2 -6,-0.1 -5,-0.1 -1,-0.1 0.288 64.3 -94.0-110.0 3.8 -4.4 -10.7 -2.0 57 57 A G - 0 0 35 -8,-0.4 -7,-0.1 -5,-0.2 -8,-0.1 0.894 56.5-173.5 89.3 45.2 -4.2 -7.1 -0.7 58 58 A I - 0 0 32 -9,-0.2 -1,-0.1 1,-0.1 43,-0.1 -0.275 19.6-128.0 -72.8 154.1 -3.3 -5.1 -3.8 59 59 A R - 0 0 219 41,-0.2 41,-0.2 1,-0.0 3,-0.1 -0.844 29.9-108.1-100.9 141.7 -2.4 -1.4 -3.9 60 60 A P - 0 0 24 0, 0.0 2,-0.1 0, 0.0 39,-0.1 -0.279 34.2-104.8 -64.0 148.6 -4.3 0.9 -6.2 61 61 A A - 0 0 10 37,-0.3 11,-2.8 11,-0.2 2,-0.4 -0.502 44.7-154.6 -67.0 145.4 -2.5 2.3 -9.3 62 62 A E E +I 71 0B 78 9,-0.2 2,-0.3 -2,-0.1 9,-0.2 -0.978 19.8 176.3-132.2 141.4 -1.6 6.0 -8.6 63 63 A V E -I 70 0B 15 7,-2.1 7,-2.6 -2,-0.4 2,-0.3 -0.990 30.3-115.5-138.8 148.1 -1.0 9.0 -10.7 64 64 A D E -I 69 0B 103 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.655 22.2-167.7 -81.7 136.8 -0.3 12.7 -9.9 65 65 A V E > S-I 68 0B 0 3,-2.6 3,-2.1 -2,-0.3 -2,-0.0 -0.976 79.3 -22.4-125.0 113.1 -2.8 15.3 -10.9 66 66 A Y T 3 S- 0 0 73 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.870 130.3 -49.3 49.3 41.1 -1.5 18.8 -10.6 67 67 A G T 3 S+ 0 0 67 1,-0.2 2,-0.5 0, 0.0 -1,-0.3 0.303 117.1 114.1 89.5 -7.5 1.1 17.5 -8.1 68 68 A V E < - I 0 65B 63 -3,-2.1 -3,-2.6 1,-0.0 2,-0.2 -0.844 69.7-117.2-106.4 128.9 -1.5 15.7 -6.0 69 69 A R E - I 0 64B 126 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.2 -0.409 34.4-175.2 -65.3 125.8 -1.6 11.9 -5.7 70 70 A M E - I 0 63B 0 -7,-2.6 -7,-2.1 -2,-0.2 2,-0.4 -0.934 17.5-135.4-119.9 147.4 -4.7 10.3 -7.0 71 71 A R E -HI 43 62B 33 -28,-3.4 -28,-1.6 -2,-0.4 -9,-0.2 -0.848 20.1-122.3-100.6 136.0 -5.8 6.7 -6.9 72 72 A L E -H 42 0B 0 -11,-2.8 2,-0.3 -2,-0.4 -30,-0.2 -0.542 50.3 -83.1 -69.4 141.5 -7.3 4.9 -9.9 73 73 A T + 0 0 1 -32,-1.5 25,-2.8 -2,-0.2 3,-0.2 -0.274 44.9 173.5 -57.5 110.1 -10.7 3.5 -9.1 74 74 A H S S- 0 0 1 1,-0.4 2,-0.3 -2,-0.3 -1,-0.2 0.893 82.0 -33.0 -73.2 -48.8 -10.6 0.1 -7.3 75 75 A S - 0 0 1 22,-0.1 -28,-1.0 -3,-0.1 -1,-0.4 -0.939 53.0-120.2-160.6 162.8 -14.4 0.6 -7.0 76 76 A M S > S+ 0 0 5 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.125 71.3 122.2 -89.8 21.2 -16.8 3.5 -6.6 77 77 A I H > S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.909 75.9 44.3 -50.6 -49.4 -18.1 2.1 -3.3 78 78 A L H > S+ 0 0 0 -3,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.887 113.5 51.2 -66.6 -37.6 -17.2 5.2 -1.3 79 79 A H H > S+ 0 0 2 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.820 104.8 57.6 -68.8 -30.9 -18.6 7.5 -4.0 80 80 A K H X S+ 0 0 2 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.903 106.7 48.2 -62.5 -42.8 -21.8 5.6 -4.1 81 81 A Q H X S+ 0 0 3 -4,-1.7 4,-2.1 -5,-0.2 175,-0.3 0.892 110.7 51.9 -65.1 -37.9 -22.3 6.3 -0.4 82 82 A L H X S+ 0 0 0 -4,-1.8 4,-1.2 2,-0.2 -2,-0.2 0.884 105.4 54.4 -65.8 -37.8 -21.5 10.0 -1.1 83 83 A A H <>S+ 0 0 0 -4,-2.3 5,-1.6 2,-0.2 3,-0.2 0.884 108.2 49.5 -61.9 -39.1 -24.1 10.0 -3.9 84 84 A I H ><5S+ 0 0 1 -4,-1.8 3,-2.0 1,-0.2 5,-0.3 0.900 106.4 56.6 -64.0 -38.6 -26.7 8.8 -1.3 85 85 A A H 3<5S+ 0 0 14 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.767 100.3 59.3 -62.8 -25.4 -25.4 11.6 1.0 86 86 A M T 3<5S- 0 0 18 -4,-1.2 220,-0.4 -3,-0.2 -1,-0.3 0.362 121.2-110.5 -85.5 5.2 -26.3 14.0 -1.8 87 87 A G T < 5S+ 0 0 21 -3,-2.0 -3,-0.2 -5,-0.1 -2,-0.1 0.705 74.5 137.2 79.7 23.6 -29.9 12.8 -1.6 88 88 A L < - 0 0 1 -5,-1.6 2,-2.8 1,-0.2 -53,-0.2 0.576 42.1-161.7 -81.7 -10.0 -30.1 11.0 -4.9 89 89 A E + 0 0 95 -5,-0.3 33,-2.9 -6,-0.2 2,-0.4 -0.202 68.2 27.6 72.3 -55.9 -32.0 8.1 -3.2 90 90 A K E S+ B 0 121A 71 -2,-2.8 -55,-3.0 31,-0.2 2,-0.3 -0.943 76.9 167.1-144.0 118.2 -31.4 5.3 -5.9 91 91 A I E -aB 35 120A 1 29,-2.4 29,-2.2 -2,-0.4 2,-0.3 -0.935 14.9-179.5-134.5 152.6 -28.4 5.4 -8.1 92 92 A F E -aB 36 119A 0 -57,-2.3 -55,-3.0 -2,-0.3 2,-0.3 -0.983 4.0-174.7-144.7 160.0 -26.4 3.3 -10.6 93 93 A V E -aB 37 118A 1 25,-1.9 25,-2.8 -2,-0.3 2,-1.1 -0.992 32.6-126.4-150.1 144.0 -23.3 3.7 -12.7 94 94 A L E - B 0 117A 19 -57,-0.6 23,-0.2 -2,-0.3 -2,-0.0 -0.825 47.0-170.2 -87.6 96.2 -21.5 1.7 -15.3 95 95 A S E - B 0 116A 0 21,-2.7 21,-2.5 -2,-1.1 2,-0.3 -0.828 20.2-145.0-105.4 114.5 -18.2 1.9 -13.5 96 96 A P E - B 0 115A 2 0, 0.0 2,-0.4 0, 0.0 19,-0.3 -0.587 21.0-160.5 -69.5 134.5 -14.8 0.8 -14.9 97 97 A N E - B 0 114A 0 17,-3.5 17,-1.9 -2,-0.3 2,-0.5 -0.914 10.4-154.5-115.1 145.4 -12.6 -0.7 -12.2 98 98 A I E + B 0 113A 2 -25,-2.8 2,-0.4 -2,-0.4 -37,-0.3 -0.978 21.4 165.6-118.1 114.9 -8.8 -1.1 -12.3 99 99 A R - 0 0 27 13,-2.3 2,-2.2 -2,-0.5 12,-0.1 -0.902 23.7-157.5-134.8 103.3 -7.5 -3.9 -10.2 100 100 A L + 0 0 32 -2,-0.4 -41,-0.2 -41,-0.2 261,-0.1 -0.391 30.2 169.7 -83.8 64.4 -3.9 -4.9 -10.9 101 101 A E - 0 0 18 -2,-2.2 188,-0.6 1,-0.1 11,-0.1 -0.253 32.7 -99.4 -76.9 164.2 -4.2 -8.4 -9.4 102 102 A S > - 0 0 23 186,-0.1 3,-2.0 1,-0.1 -1,-0.1 -0.173 33.9 -97.6 -81.8 172.1 -1.5 -11.1 -9.8 103 103 A R G > S+ 0 0 126 1,-0.3 3,-1.7 2,-0.2 -1,-0.1 0.732 118.1 74.0 -57.7 -23.4 -1.3 -14.1 -12.2 104 104 A R G 3 S+ 0 0 185 1,-0.3 -1,-0.3 3,-0.0 185,-0.0 0.687 93.0 52.9 -66.8 -18.0 -2.7 -16.1 -9.3 105 105 A K G < S+ 0 0 46 -3,-2.0 2,-1.9 1,-0.1 5,-0.4 0.299 73.8 111.5 -98.9 6.8 -6.1 -14.6 -9.9 106 106 A D < + 0 0 45 -3,-1.7 -1,-0.1 1,-0.2 -3,-0.1 -0.581 33.9 137.3 -80.1 79.9 -6.1 -15.5 -13.6 107 107 A D S S- 0 0 69 -2,-1.9 -1,-0.2 170,-0.0 -3,-0.0 0.258 79.8 -91.7-111.8 6.0 -8.9 -18.0 -13.1 108 108 A G S S+ 0 0 2 2,-0.2 170,-1.9 -3,-0.2 -2,-0.1 0.177 119.4 60.8 103.0 -17.8 -11.1 -17.2 -16.1 109 109 A R S S+ 0 0 27 -4,-0.2 2,-0.3 168,-0.1 -3,-0.1 0.545 83.7 88.3-115.7 -12.1 -13.4 -14.6 -14.5 110 110 A H + 0 0 23 -5,-0.4 2,-0.3 178,-0.0 -2,-0.2 -0.625 45.9 175.0 -89.8 148.5 -10.9 -11.9 -13.4 111 111 A S - 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G 0 259A 23 -18,-2.5 -25,-2.4 -2,-0.3 2,-0.3 -0.466 59.8-122.1 -68.0 162.1 -25.7 -2.9 3.6 222 222 A R B -J 195 0C 2 36,-2.2 2,-0.3 -27,-0.3 36,-0.3 -0.783 1.3-120.0-117.8 156.2 -23.3 -0.2 4.8 223 223 A E + 0 0 0 -29,-2.0 33,-0.1 -2,-0.3 -27,-0.1 -0.634 30.3 169.0 -76.3 147.6 -21.8 1.4 7.8 224 224 A W + 0 0 71 -2,-0.3 2,-0.5 31,-0.1 31,-0.4 0.396 42.1 100.4-138.2 -5.8 -22.6 5.1 8.2 225 225 A E > - 0 0 89 1,-0.1 4,-2.6 28,-0.0 5,-0.2 -0.768 63.6-142.5 -93.6 126.2 -21.4 6.0 11.7 226 226 A Y H > S+ 0 0 31 24,-0.6 4,-2.8 -2,-0.5 5,-0.2 0.893 98.1 48.8 -48.8 -53.9 -18.1 7.7 12.1 227 227 A E H > S+ 0 0 147 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.894 114.0 45.8 -59.3 -43.0 -16.9 6.0 15.3 228 228 A K H > S+ 0 0 54 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.921 113.5 49.6 -67.0 -44.4 -17.7 2.5 14.0 229 229 A I H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.929 111.1 48.2 -62.0 -46.9 -16.1 3.2 10.6 230 230 A V H X S+ 0 0 16 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.904 109.3 52.8 -63.9 -41.0 -12.9 4.5 12.1 231 231 A A H X S+ 0 0 56 -4,-2.0 4,-2.4 -5,-0.2 -1,-0.2 0.903 109.8 49.2 -59.4 -40.1 -12.5 1.6 14.5 232 232 A K H X S+ 0 0 27 -4,-1.9 4,-1.3 2,-0.2 6,-0.2 0.917 110.6 49.9 -69.2 -42.2 -12.9 -0.9 11.6 233 233 A I H <>S+ 0 0 0 -4,-2.2 5,-1.9 1,-0.2 3,-0.5 0.950 114.2 44.8 -57.2 -50.9 -10.3 0.9 9.5 234 234 A R H ><5S+ 0 0 164 -4,-2.6 3,-1.5 1,-0.2 -2,-0.2 0.866 108.2 57.1 -63.7 -38.3 -7.8 1.0 12.4 235 235 A A H 3<5S+ 0 0 90 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.804 105.5 51.6 -65.8 -28.4 -8.4 -2.6 13.4 236 236 A A T 3<5S- 0 0 31 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.406 118.2-111.6 -86.3 -0.4 -7.4 -3.8 9.9 237 237 A G T < 5S+ 0 0 48 -3,-1.5 -3,-0.2 1,-0.2 -2,-0.1 0.596 73.4 138.3 78.5 10.0 -4.2 -1.8 10.0 238 238 A L < - 0 0 44 -5,-1.9 2,-0.5 -6,-0.2 -1,-0.2 -0.338 53.5-111.5 -79.8 170.5 -5.4 0.6 7.4 239 239 A K > - 0 0 126 1,-0.1 3,-1.6 -3,-0.1 4,-0.2 -0.900 3.4-146.7-113.8 130.7 -4.8 4.4 7.7 240 240 A E G > S+ 0 0 62 -2,-0.5 3,-2.4 1,-0.3 7,-0.2 0.855 100.6 69.9 -54.7 -36.0 -7.4 7.1 8.3 241 241 A D G > S+ 0 0 131 1,-0.3 3,-0.8 2,-0.2 -1,-0.3 0.768 89.4 62.5 -54.2 -27.4 -5.2 9.3 6.2 242 242 A S G < S+ 0 0 32 -3,-1.6 -196,-0.4 1,-0.2 -1,-0.3 0.550 112.9 33.5 -77.0 -7.2 -6.2 7.2 3.2 243 243 A F G <> S+ 0 0 8 -3,-2.4 4,-2.7 -4,-0.2 3,-0.4 0.039 76.4 138.9-135.2 25.5 -9.9 8.2 3.6 244 244 A R H <> S+ 0 0 148 -3,-0.8 4,-1.6 1,-0.2 5,-0.1 0.835 72.6 40.8 -49.2 -54.7 -9.7 11.7 4.8 245 245 A P H > S+ 0 0 11 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.881 116.5 50.8 -66.8 -35.3 -12.5 13.5 2.9 246 246 A Y H > S+ 0 0 0 -3,-0.4 4,-2.2 1,-0.2 -2,-0.2 0.896 110.2 49.8 -63.4 -42.3 -14.9 10.6 3.3 247 247 A L H X S+ 0 0 9 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.780 105.5 57.8 -69.8 -25.7 -14.2 10.5 7.0 248 248 A E H X S+ 0 0 79 -4,-1.6 4,-1.4 -5,-0.3 -1,-0.2 0.911 108.6 45.8 -66.6 -40.7 -14.9 14.2 7.2 249 249 A I H <>S+ 0 0 0 -4,-1.6 5,-2.2 2,-0.2 6,-0.3 0.893 113.8 48.9 -69.4 -40.2 -18.3 13.6 5.7 250 250 A A H ><5S+ 0 0 3 -4,-2.2 3,-1.6 1,-0.2 -24,-0.6 0.907 109.1 52.1 -63.7 -43.3 -18.9 10.7 8.1 251 251 A R H 3<5S+ 0 0 170 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.827 104.2 58.0 -63.0 -31.5 -17.8 12.8 11.1 252 252 A A T 3<5S- 0 0 52 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.519 117.0-117.2 -76.6 -6.7 -20.3 15.5 10.0 253 253 A G T < 5S+ 0 0 60 -3,-1.6 -3,-0.2 -4,-0.2 -2,-0.1 0.718 77.2 127.3 79.2 24.4 -23.0 12.8 10.3 254 254 A K < + 0 0 89 -5,-2.2 2,-0.3 2,-0.1 -4,-0.2 0.459 36.8 98.4 -97.1 -4.2 -23.9 13.0 6.6 255 255 A L - 0 0 7 -31,-0.4 -31,-0.1 -6,-0.3 -29,-0.1 -0.637 59.4-157.2 -79.5 147.3 -23.6 9.3 5.7 256 256 A K - 0 0 66 -175,-0.3 -171,-0.1 -2,-0.3 -172,-0.1 -0.890 27.0 -91.3-122.1 152.2 -27.0 7.5 5.6 257 257 A P + 0 0 58 0, 0.0 -134,-2.4 0, 0.0 2,-0.3 -0.378 62.0 148.4 -58.2 139.5 -27.9 3.9 5.9 258 258 A S E -C 122 0A 3 -136,-0.3 -36,-2.2 -36,-0.3 2,-0.3 -0.960 32.5-148.3-159.8 171.5 -28.0 2.2 2.5 259 259 A A E +CG 121 221A 0 -138,-1.8 -138,-2.7 -2,-0.3 -38,-0.3 -0.986 26.4 142.9-147.0 153.3 -27.4 -1.1 0.6 260 260 A G E -CG 120 220A 0 -40,-1.8 -40,-1.3 -2,-0.3 2,-0.3 -0.889 23.6-146.9-165.3-168.1 -26.2 -1.9 -2.8 261 261 A A E -CG 119 219A 0 -142,-1.9 -142,-3.0 -2,-0.3 2,-0.4 -0.974 14.5-126.7-165.2 164.7 -24.2 -4.2 -5.1 262 262 A G E -CG 118 218A 0 -44,-2.1 -44,-1.7 -2,-0.3 2,-0.5 -0.968 18.6-154.5-119.2 146.1 -22.1 -4.3 -8.2 263 263 A I E -CG 117 217A 1 -146,-1.9 -146,-2.6 -2,-0.4 2,-0.8 -0.979 19.0-126.3-120.8 125.2 -22.7 -6.7 -11.1 264 264 A G E > -C 116 0A 1 -48,-3.0 4,-1.7 -2,-0.5 -148,-0.2 -0.570 21.0-169.3 -72.2 108.4 -19.9 -7.9 -13.4 265 265 A V H > S+ 0 0 0 -150,-1.6 4,-2.2 -2,-0.8 3,-0.2 0.947 86.3 45.0 -65.4 -49.4 -21.1 -7.1 -17.0 266 266 A E H > S+ 0 0 17 -151,-0.5 4,-2.6 1,-0.2 -1,-0.2 0.832 109.2 57.3 -66.4 -32.1 -18.4 -9.0 -18.8 267 267 A R H > S+ 0 0 21 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.887 108.3 47.1 -64.4 -37.2 -18.8 -12.0 -16.4 268 268 A L H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 5,-0.2 0.898 109.8 52.4 -67.9 -43.3 -22.5 -12.2 -17.4 269 269 A V H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 5,-0.3 0.945 109.7 50.6 -54.8 -48.7 -21.5 -11.9 -21.1 270 270 A R H X>S+ 0 0 16 -4,-2.6 5,-2.0 1,-0.2 4,-1.8 0.891 110.4 49.0 -55.7 -44.3 -19.1 -14.8 -20.5 271 271 A F H <5S+ 0 0 14 -4,-1.8 -1,-0.2 3,-0.2 -2,-0.2 0.915 113.2 45.2 -64.2 -44.3 -21.8 -16.9 -18.8 272 272 A I H <5S+ 0 0 0 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.869 118.1 43.0 -71.7 -35.5 -24.4 -16.4 -21.5 273 273 A V H <5S- 0 0 48 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.758 107.2-129.2 -77.8 -25.6 -21.9 -17.0 -24.3 274 274 A G T <5 + 0 0 43 -4,-1.8 2,-0.3 -5,-0.3 -3,-0.2 0.845 42.8 172.3 78.6 36.5 -20.5 -20.0 -22.4 275 275 A A < - 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