==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 29-AUG-06 2DXP . COMPND 2 MOLECULE: SULFOLOBUS SOLFATARICUS PROTEIN TYROSINE . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS; . AUTHOR H.M.CHU,A.H.J.WANG . 161 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8025.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 110 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 9.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 3 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 70 43.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.2 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 2 1 2 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 3 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 . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 85 0, 0.0 2,-0.3 0, 0.0 11,-0.2 0.000 360.0 360.0 360.0 136.8 23.9 3.5 8.7 2 2 A Y E -A 11 0A 26 9,-2.5 9,-2.4 128,-0.0 2,-0.4 -0.962 360.0-133.5-135.4 150.6 23.5 6.4 11.1 3 3 A W E -A 10 0A 35 -2,-0.3 7,-0.3 7,-0.3 3,-0.3 -0.863 12.0-174.7-101.0 132.6 21.7 7.0 14.4 4 4 A V E S+ 0 0 13 5,-2.7 2,-0.4 -2,-0.4 6,-0.2 0.816 91.2 20.6 -89.5 -37.9 19.7 10.2 14.7 5 5 A R E >> S-A 9 0A 62 4,-2.0 3,-3.3 0, 0.0 4,-1.7 -0.918 112.9 -92.7-133.3 102.6 19.1 9.5 18.4 6 6 A R T 34 S- 0 0 192 -2,-0.4 4,-0.1 1,-0.3 85,-0.0 0.252 96.7 -24.8 -19.6 103.0 21.7 7.1 19.9 7 7 A K T 34 S+ 0 0 65 1,-0.1 84,-3.6 83,-0.1 -1,-0.3 0.424 127.3 80.7 65.5 2.2 20.4 3.5 19.6 8 8 A T T <4 S- 0 0 26 -3,-3.3 84,-2.1 1,-0.3 2,-0.3 0.831 103.8 -0.0-101.7 -46.1 16.7 4.6 19.5 9 9 A I E < +Ab 5 92A 0 -4,-1.7 -5,-2.7 82,-0.2 -4,-2.0 -0.950 68.6 152.4-151.3 127.4 16.2 5.7 15.9 10 10 A G E -Ab 3 93A 0 82,-2.6 84,-2.0 -2,-0.3 2,-0.3 -0.781 24.8-134.2-139.1-178.0 18.4 5.7 12.9 11 11 A G E +Ab 2 94A 0 -9,-2.4 -9,-2.5 -2,-0.2 2,-0.3 -0.902 19.3 167.2-139.7 169.2 18.3 5.5 9.1 12 12 A S E - b 0 95A 12 82,-1.5 84,-1.5 -2,-0.3 87,-0.3 -0.976 32.8-102.2-169.2 170.9 20.1 3.8 6.2 13 13 A G - 0 0 17 -2,-0.3 85,-0.3 85,-0.3 84,-0.2 -0.217 62.6 -65.7 -90.8-170.5 19.9 3.0 2.6 14 14 A L - 0 0 25 83,-2.4 -1,-0.1 -2,-0.1 83,-0.1 -0.686 54.4-126.4 -82.1 124.3 18.9 -0.4 1.1 15 15 A P - 0 0 0 0, 0.0 3,-0.1 0, 0.0 -1,-0.0 -0.377 13.4-158.3 -69.3 149.3 21.4 -3.1 2.0 16 16 A Y S S+ 0 0 156 1,-0.1 2,-0.3 -2,-0.0 -2,-0.0 0.734 71.1 25.0 -98.5 -28.7 22.9 -5.2 -0.8 17 17 A T S >> S- 0 0 63 1,-0.0 3,-0.9 0, 0.0 4,-0.9 -0.880 81.3-107.3-133.5 166.8 24.0 -8.3 1.1 18 18 A E H 3> S+ 0 0 49 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 0.704 112.5 68.8 -66.1 -20.5 23.2 -10.1 4.2 19 19 A N H 3> S+ 0 0 117 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.845 95.4 52.4 -68.8 -33.7 26.4 -8.9 5.8 20 20 A E H <> S+ 0 0 65 -3,-0.9 4,-1.4 2,-0.2 -1,-0.2 0.855 108.1 53.5 -69.9 -32.3 25.2 -5.3 5.9 21 21 A I H X S+ 0 0 0 -4,-0.9 4,-1.8 1,-0.2 3,-0.2 0.920 106.1 50.9 -67.3 -43.0 22.1 -6.6 7.7 22 22 A L H X S+ 0 0 81 -4,-1.9 4,-2.9 1,-0.2 -1,-0.2 0.869 105.9 57.0 -62.4 -34.9 24.3 -8.4 10.3 23 23 A E H X S+ 0 0 126 -4,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.873 103.1 54.3 -63.0 -37.3 26.1 -5.1 10.8 24 24 A W H X>S+ 0 0 7 -4,-1.4 5,-2.7 -3,-0.2 4,-0.7 0.932 110.3 45.7 -60.1 -48.0 22.8 -3.4 11.7 25 25 A R H ><5S+ 0 0 128 -4,-1.8 3,-1.9 1,-0.2 -2,-0.2 0.958 110.7 52.5 -60.7 -49.6 22.1 -6.0 14.3 26 26 A K H 3<5S+ 0 0 185 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.861 107.7 54.4 -54.3 -36.0 25.7 -5.6 15.6 27 27 A E H 3<5S- 0 0 91 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.613 128.9 -95.3 -75.0 -13.6 25.0 -1.9 15.8 28 28 A G T <<5S+ 0 0 18 -3,-1.9 2,-0.2 -4,-0.7 -3,-0.2 0.509 70.7 151.4 112.2 5.5 21.9 -2.3 18.0 29 29 A V < + 0 0 1 -5,-2.7 -1,-0.3 -6,-0.2 63,-0.2 -0.527 6.7 161.2 -70.7 135.2 19.2 -2.3 15.3 30 30 A K + 0 0 104 61,-3.0 31,-1.7 1,-0.4 2,-0.4 0.595 60.9 37.2-125.8 -28.5 16.2 -4.4 16.4 31 31 A R E -cd 61 92A 13 60,-2.7 62,-2.7 29,-0.2 2,-0.5 -0.991 65.1-156.5-132.3 139.1 13.3 -3.2 14.3 32 32 A V E -cd 62 93A 0 29,-2.5 31,-2.3 -2,-0.4 2,-0.8 -0.951 7.3-159.9-124.1 121.5 13.3 -2.2 10.6 33 33 A L E -cd 63 94A 0 60,-3.1 62,-2.0 -2,-0.5 2,-0.7 -0.859 19.2-153.0 -95.5 111.1 10.8 0.0 8.8 34 34 A V E +cd 64 95A 0 29,-2.9 31,-2.7 -2,-0.8 62,-0.2 -0.787 20.5 172.2 -91.8 112.7 11.1 -0.8 5.1 35 35 A L + 0 0 0 60,-2.5 32,-2.4 -2,-0.7 61,-0.2 0.690 40.3 96.5 -95.4 -22.9 10.2 2.2 3.0 36 36 A P S S- 0 0 0 0, 0.0 29,-0.0 0, 0.0 5,-0.0 -0.294 76.4-102.3 -70.4 158.8 11.1 1.4 -0.7 37 37 A E >> - 0 0 62 30,-0.3 4,-1.8 29,-0.1 3,-0.8 -0.297 34.9-100.3 -74.3 161.9 8.5 -0.0 -3.1 38 38 A D H 3> S+ 0 0 67 1,-0.3 4,-2.9 2,-0.2 3,-0.4 0.907 122.0 50.2 -44.6 -55.7 8.3 -3.7 -4.2 39 39 A W H 3> S+ 0 0 132 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.808 107.1 55.5 -58.8 -31.4 10.2 -3.1 -7.5 40 40 A E H <> S+ 0 0 13 -3,-0.8 4,-0.8 2,-0.2 -1,-0.2 0.887 111.0 42.5 -69.9 -39.2 13.0 -1.3 -5.7 41 41 A I H >X S+ 0 0 1 -4,-1.8 4,-3.3 -3,-0.4 3,-0.9 0.934 114.9 52.4 -70.1 -45.1 13.7 -4.2 -3.3 42 42 A E H 3X S+ 0 0 90 -4,-2.9 4,-2.1 1,-0.3 -2,-0.2 0.865 100.8 61.2 -56.0 -41.9 13.3 -6.6 -6.2 43 43 A E H 3< S+ 0 0 147 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.829 118.6 27.5 -58.1 -32.9 15.8 -4.7 -8.3 44 44 A S H << S+ 0 0 48 -3,-0.9 -2,-0.2 -4,-0.8 -1,-0.2 0.808 134.5 28.1 -99.5 -35.3 18.5 -5.3 -5.7 45 45 A W H < S- 0 0 44 -4,-3.3 -3,-0.2 -5,-0.1 -2,-0.2 0.673 93.4-123.3-102.1 -19.7 17.4 -8.6 -4.0 46 46 A G S < S+ 0 0 63 -4,-2.1 2,-0.3 -5,-0.4 -4,-0.2 0.111 90.1 37.5 98.4 -23.1 15.5 -10.4 -6.7 47 47 A D > - 0 0 79 -6,-0.3 4,-1.9 1,-0.1 -8,-0.0 -0.873 63.6-146.9-165.0 127.3 12.3 -10.8 -4.6 48 48 A K H > S+ 0 0 46 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 0.930 102.0 47.6 -61.1 -49.0 10.6 -8.5 -2.1 49 49 A D H > S+ 0 0 95 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.879 108.5 55.0 -63.6 -37.1 9.3 -11.2 0.2 50 50 A Y H > S+ 0 0 111 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.939 107.5 51.3 -61.5 -42.9 12.6 -13.0 0.3 51 51 A Y H X S+ 0 0 0 -4,-1.9 4,-1.2 1,-0.2 -2,-0.2 0.917 110.5 47.4 -59.1 -46.2 14.2 -9.7 1.5 52 52 A L H X S+ 0 0 27 -4,-2.0 4,-1.6 1,-0.2 3,-0.4 0.912 111.9 49.7 -63.3 -42.4 11.7 -9.3 4.3 53 53 A S H X S+ 0 0 58 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.876 106.6 57.4 -65.4 -34.1 12.1 -12.9 5.4 54 54 A I H X S+ 0 0 5 -4,-2.3 4,-1.4 -5,-0.2 -1,-0.2 0.812 101.7 54.9 -65.8 -29.3 15.8 -12.4 5.4 55 55 A L H <>S+ 0 0 0 -4,-1.2 5,-2.5 -3,-0.4 -1,-0.2 0.942 111.6 45.1 -67.7 -43.3 15.5 -9.5 7.9 56 56 A K H ><5S+ 0 0 125 -4,-1.6 3,-2.8 3,-0.2 -2,-0.2 0.931 108.0 55.1 -63.9 -48.9 13.6 -11.9 10.2 57 57 A K H 3<5S+ 0 0 133 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.858 107.4 53.0 -53.5 -35.5 16.1 -14.8 9.8 58 58 A N T 3<5S- 0 0 21 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.255 128.5 -99.7 -85.5 12.5 18.7 -12.3 10.9 59 59 A G T < 5S+ 0 0 37 -3,-2.8 2,-0.3 1,-0.3 -3,-0.2 0.686 80.8 126.9 81.6 20.2 16.7 -11.4 14.0 60 60 A L < - 0 0 3 -5,-2.5 -1,-0.3 -6,-0.1 -29,-0.2 -0.845 55.7-134.6-110.7 147.7 15.1 -8.2 12.9 61 61 A Q E -c 31 0A 111 -31,-1.7 -29,-2.5 -2,-0.3 2,-0.2 -0.895 31.7-161.5-100.6 108.6 11.4 -7.4 13.1 62 62 A P E -c 32 0A 18 0, 0.0 2,-0.4 0, 0.0 -29,-0.2 -0.639 17.9-170.9 -95.8 151.0 10.4 -5.7 9.7 63 63 A L E -c 33 0A 49 -31,-2.3 -29,-2.9 -2,-0.2 2,-0.7 -0.964 15.7-148.3-138.1 117.3 7.5 -3.6 8.7 64 64 A H E +c 34 0A 42 -2,-0.4 -29,-0.2 -31,-0.2 -31,-0.1 -0.794 23.1 167.7 -94.5 112.8 7.0 -2.8 5.0 65 65 A I - 0 0 10 -31,-2.7 2,-0.1 -2,-0.7 -28,-0.0 -0.809 27.8-144.3-125.3 88.7 5.4 0.5 4.3 66 66 A P + 0 0 46 0, 0.0 -29,-0.1 0, 0.0 -31,-0.1 -0.293 22.5 176.3 -56.2 122.9 5.9 1.3 0.5 67 67 A I - 0 0 2 -32,-2.4 -30,-0.3 -2,-0.1 3,-0.1 -0.997 33.5-111.7-132.7 127.1 6.4 5.0 -0.3 68 68 A P > - 0 0 64 0, 0.0 3,-2.5 0, 0.0 -33,-0.0 -0.213 46.0 -90.2 -56.3 144.2 7.1 6.2 -3.9 69 69 A D T 3 S+ 0 0 72 1,-0.3 3,-0.1 32,-0.0 27,-0.0 -0.294 115.5 12.3 -56.9 135.7 10.6 7.5 -4.5 70 70 A G T 3 S+ 0 0 14 1,-0.2 69,-0.3 -3,-0.1 -1,-0.3 0.506 116.9 102.4 73.4 4.4 10.7 11.3 -3.8 71 71 A G < - 0 0 3 -3,-2.5 -1,-0.2 67,-0.1 65,-0.1 -0.201 63.8-120.6-106.6-163.5 7.3 11.0 -2.2 72 72 A V - 0 0 29 -3,-0.1 2,-0.1 -2,-0.1 30,-0.1 -0.911 30.5 -92.3-138.6 162.5 5.6 10.8 1.2 73 73 A P - 0 0 4 0, 0.0 -6,-0.1 0, 0.0 2,-0.0 -0.384 40.3-113.8 -74.8 154.3 3.4 8.4 3.2 74 74 A S > - 0 0 60 1,-0.1 4,-2.3 -2,-0.1 5,-0.2 -0.257 39.1 -97.9 -75.1 174.4 -0.4 8.7 3.1 75 75 A D H > S+ 0 0 76 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.925 127.1 49.3 -62.5 -40.2 -2.1 9.7 6.3 76 76 A S H > S+ 0 0 93 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.928 110.8 48.5 -63.8 -46.4 -2.8 6.1 7.1 77 77 A Q H > S+ 0 0 49 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.887 112.9 50.2 -61.3 -36.7 0.7 5.0 6.4 78 78 A F H X S+ 0 0 0 -4,-2.3 4,-3.3 2,-0.2 5,-0.3 0.921 109.2 47.7 -70.2 -44.4 2.0 7.8 8.6 79 79 A L H X S+ 0 0 49 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.947 116.0 47.8 -59.3 -44.2 -0.2 7.0 11.6 80 80 A T H X S+ 0 0 72 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.923 112.2 49.1 -60.5 -46.3 0.9 3.4 11.1 81 81 A I H X S+ 0 0 0 -4,-3.0 4,-2.6 1,-0.2 5,-0.2 0.941 113.1 45.8 -60.4 -48.8 4.6 4.5 10.8 82 82 A M H X S+ 0 0 0 -4,-3.3 4,-1.9 1,-0.2 -1,-0.2 0.877 112.6 49.6 -64.6 -39.4 4.5 6.6 14.0 83 83 A K H X S+ 0 0 88 -4,-2.5 4,-1.8 -5,-0.3 -1,-0.2 0.902 112.6 49.2 -66.2 -39.2 2.6 4.0 16.0 84 84 A W H X S+ 0 0 39 -4,-2.3 4,-0.6 -5,-0.2 3,-0.3 0.956 112.5 45.6 -63.5 -50.8 5.2 1.4 14.9 85 85 A L H < S+ 0 0 0 -4,-2.6 3,-0.3 1,-0.2 -1,-0.2 0.835 118.1 44.6 -61.7 -34.0 8.2 3.5 15.8 86 86 A L H < S+ 0 0 45 -4,-1.9 3,-0.3 -5,-0.2 -1,-0.2 0.684 96.1 71.9 -85.6 -20.9 6.7 4.5 19.1 87 87 A S H < S+ 0 0 72 -4,-1.8 2,-0.3 1,-0.3 -1,-0.2 0.732 113.7 25.6 -69.1 -19.8 5.5 1.1 20.3 88 88 A E S < S- 0 0 113 -4,-0.6 -1,-0.3 -3,-0.3 -57,-0.1 -0.854 73.6-165.3-146.4 104.3 9.1 0.0 20.8 89 89 A K + 0 0 142 -2,-0.3 3,-0.5 -3,-0.3 2,-0.2 0.862 60.4 67.9 -59.8 -47.5 11.6 2.8 21.6 90 90 A E S S+ 0 0 122 1,-0.2 -82,-0.3 -81,-0.0 -83,-0.1 -0.516 96.5 13.5 -90.1 149.0 15.0 1.3 21.1 91 91 A G S S+ 0 0 0 -84,-3.6 -61,-3.0 1,-0.2 -60,-2.7 0.840 73.9 163.6 68.0 37.5 16.8 -0.0 18.1 92 92 A N E -bd 9 31A 0 -84,-2.1 -82,-2.6 -3,-0.5 2,-0.4 -0.766 14.5-172.6 -91.6 128.0 14.6 1.5 15.4 93 93 A L E -bd 10 32A 1 -62,-2.7 -60,-3.1 -2,-0.5 2,-0.4 -0.965 6.5-168.3-121.1 135.2 15.9 1.6 11.9 94 94 A V E +bd 11 33A 0 -84,-2.0 -82,-1.5 -2,-0.4 2,-0.4 -0.968 15.5 177.3-118.1 133.2 14.2 3.4 9.0 95 95 A H E +bd 12 34A 0 -62,-2.0 -60,-2.5 -2,-0.4 -82,-0.2 -0.998 17.4 169.1-144.8 147.5 15.5 2.8 5.4 96 96 A S - 0 0 0 -84,-1.5 -61,-0.0 -2,-0.4 -27,-0.0 -0.061 59.2 -76.4-119.3-138.7 14.8 3.7 1.9 97 97 A V S S+ 0 0 49 -84,-0.2 -83,-2.4 -2,-0.1 -84,-0.0 0.855 129.2 17.6 -95.2 -53.0 17.0 3.1 -1.2 98 98 A G S S- 0 0 21 -85,-0.3 -85,-0.3 -86,-0.1 64,-0.1 0.589 98.1-127.2 -93.9 -11.7 19.5 5.8 -0.7 99 99 A G S S+ 0 0 0 -87,-0.3 -86,-0.2 1,-0.0 34,-0.1 0.653 89.6 82.4 73.8 17.9 18.7 6.4 3.0 100 100 A I S > S+ 0 0 18 3,-0.1 34,-2.2 33,-0.1 4,-0.6 0.779 84.1 34.2-118.2 -52.4 18.3 10.1 2.3 101 101 A G H > S+ 0 0 0 32,-0.2 4,-2.1 33,-0.2 5,-0.1 0.993 127.1 21.7 -76.0 -73.9 14.9 11.2 0.9 102 102 A R H > S+ 0 0 2 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.880 127.8 51.6 -64.5 -38.2 12.1 9.1 2.2 103 103 A T H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.936 109.9 47.5 -65.5 -47.3 14.1 8.1 5.2 104 104 A G H X S+ 0 0 0 -4,-0.6 4,-2.4 1,-0.2 5,-0.2 0.896 110.1 54.6 -61.1 -39.5 15.1 11.7 6.1 105 105 A T H X S+ 0 0 1 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.928 111.3 43.2 -60.3 -47.0 11.4 12.8 5.7 106 106 A I H X S+ 0 0 1 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.906 114.3 49.8 -66.7 -42.8 10.2 10.2 8.2 107 107 A L H X S+ 0 0 2 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.896 112.5 47.2 -63.7 -40.6 13.0 10.8 10.7 108 108 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.836 110.4 53.2 -68.4 -34.2 12.4 14.5 10.6 109 109 A S H X S+ 0 0 0 -4,-1.7 4,-1.9 -5,-0.2 -2,-0.2 0.927 105.6 56.0 -63.7 -44.4 8.7 13.8 11.0 110 110 A Y H X S+ 0 0 19 -4,-2.5 4,-2.7 1,-0.2 5,-0.3 0.894 109.9 43.3 -53.4 -47.3 9.6 11.8 14.1 111 111 A L H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 6,-0.8 0.867 107.2 59.0 -70.4 -39.2 11.4 14.7 15.7 112 112 A I H < S+ 0 0 0 -4,-2.1 4,-0.4 4,-0.2 -1,-0.2 0.905 117.5 34.3 -55.8 -41.4 8.7 17.3 14.9 113 113 A L H < S+ 0 0 3 -4,-1.9 -2,-0.2 3,-0.2 -1,-0.2 0.889 125.1 37.2 -83.2 -43.9 6.2 15.2 16.8 114 114 A T H < S+ 0 0 52 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.710 132.1 27.9 -83.9 -21.3 8.3 13.7 19.6 115 115 A E S < S- 0 0 81 -4,-2.5 -3,-0.2 -5,-0.3 -1,-0.2 0.332 100.3-124.6-120.6 5.2 10.4 16.7 20.3 116 116 A G + 0 0 39 -4,-0.4 -4,-0.2 -5,-0.3 2,-0.2 0.871 52.6 160.9 53.4 43.7 8.1 19.5 19.1 117 117 A L - 0 0 42 -6,-0.8 -1,-0.2 -9,-0.1 -2,-0.1 -0.588 42.0-113.8 -94.6 157.0 10.6 20.9 16.6 118 118 A E > - 0 0 103 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.310 38.9-101.7 -75.8 172.1 9.8 23.1 13.6 119 119 A V H > S+ 0 0 8 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.964 120.3 50.5 -60.9 -55.1 10.4 21.6 10.2 120 120 A E H > S+ 0 0 100 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.877 112.3 47.6 -51.1 -44.6 13.7 23.4 9.6 121 121 A S H > S+ 0 0 46 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.897 111.3 50.0 -66.8 -41.4 15.1 22.3 12.9 122 122 A A H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.947 112.8 45.8 -63.3 -48.4 14.0 18.7 12.5 123 123 A I H X S+ 0 0 22 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.885 112.0 52.8 -61.4 -38.7 15.6 18.5 9.0 124 124 A D H X S+ 0 0 93 -4,-2.1 4,-0.9 -5,-0.3 -1,-0.2 0.895 106.6 53.5 -62.9 -40.8 18.7 20.2 10.4 125 125 A E H < S+ 0 0 54 -4,-2.3 4,-0.5 1,-0.2 3,-0.4 0.897 111.9 44.0 -60.6 -43.0 18.9 17.6 13.2 126 126 A V H >X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 3,-1.1 0.867 107.9 59.1 -70.5 -37.3 18.7 14.7 10.7 127 127 A R H 3< S+ 0 0 112 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.683 89.0 72.9 -67.2 -17.0 21.3 16.4 8.4 128 128 A L T 3< S+ 0 0 119 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.878 118.5 18.0 -64.0 -36.1 23.8 16.4 11.2 129 129 A V T <4 S+ 0 0 63 -3,-1.1 -2,-0.2 -4,-0.5 -1,-0.2 0.638 134.9 41.7-108.1 -20.4 24.2 12.7 10.6 130 130 A R S >< S- 0 0 62 -4,-2.6 3,-2.1 -5,-0.1 -1,-0.2 -0.714 80.8-145.8-131.5 85.3 22.7 12.3 7.2 131 131 A P T 3 S+ 0 0 83 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.137 83.6 14.7 -48.2 134.6 23.8 15.1 4.8 132 132 A G T 3 S+ 0 0 38 1,-0.2 -5,-0.1 -5,-0.1 -32,-0.1 0.403 82.0 171.0 81.0 -2.9 21.0 16.1 2.3 133 133 A A < + 0 0 0 -3,-2.1 -32,-0.2 -10,-0.1 -1,-0.2 -0.117 56.2 34.7 -45.4 134.2 18.2 14.3 4.2 134 134 A V - 0 0 7 -34,-2.2 -33,-0.2 -33,-0.1 -32,-0.1 0.846 66.0-174.0 80.1 104.2 14.8 15.3 2.6 135 135 A Q + 0 0 70 5,-0.0 2,-0.2 0, 0.0 -34,-0.1 0.844 46.8 58.9 -97.7 -39.2 15.0 15.7 -1.1 136 136 A T > - 0 0 42 -65,-0.1 4,-2.2 1,-0.1 5,-0.1 -0.523 68.6-125.0-105.1 167.2 11.7 17.0 -2.6 137 137 A Y H > S+ 0 0 166 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.923 115.2 55.5 -64.5 -45.4 9.2 19.8 -2.5 138 138 A E H > S+ 0 0 108 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.876 108.6 47.6 -56.9 -38.3 6.5 17.2 -1.8 139 139 A Q H > S+ 0 0 0 -69,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.910 111.0 51.0 -71.0 -39.3 8.5 15.9 1.2 140 140 A E H X S+ 0 0 92 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.933 110.8 48.6 -61.3 -46.8 9.0 19.5 2.5 141 141 A M H X S+ 0 0 70 -4,-3.0 4,-2.9 1,-0.2 -1,-0.2 0.877 108.7 54.5 -62.3 -37.5 5.2 20.2 2.2 142 142 A F H X S+ 0 0 10 -4,-1.9 4,-2.6 -5,-0.2 -2,-0.2 0.965 109.0 46.8 -59.9 -52.9 4.5 16.9 4.1 143 143 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.844 114.1 48.7 -58.2 -35.7 6.7 17.9 7.0 144 144 A L H X S+ 0 0 82 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.925 110.7 49.6 -69.6 -46.1 5.1 21.4 7.0 145 145 A R H X S+ 0 0 101 -4,-2.9 4,-1.5 1,-0.2 -2,-0.2 0.875 113.0 49.4 -59.9 -37.6 1.7 19.9 6.9 146 146 A V H < S+ 0 0 0 -4,-2.6 7,-0.2 2,-0.2 -2,-0.2 0.930 108.7 49.7 -69.3 -47.2 2.7 17.6 9.8 147 147 A E H >< S+ 0 0 60 -4,-2.5 3,-1.5 1,-0.2 4,-0.2 0.930 109.8 54.9 -56.5 -44.0 4.1 20.4 12.0 148 148 A G H 3< S+ 0 0 67 -4,-2.6 3,-0.2 1,-0.3 -1,-0.2 0.854 114.3 37.1 -58.0 -40.1 0.9 22.3 11.4 149 149 A M T 3X S+ 0 0 77 -4,-1.5 4,-2.3 -3,-0.2 -1,-0.3 -0.091 78.6 133.5-106.1 35.2 -1.3 19.5 12.7 150 150 A R H <> S+ 0 0 72 -3,-1.5 4,-2.6 1,-0.2 5,-0.2 0.909 71.9 45.2 -49.5 -57.5 1.0 18.4 15.4 151 151 A K H > S+ 0 0 153 1,-0.2 4,-2.8 -3,-0.2 -1,-0.2 0.877 111.1 55.4 -57.8 -39.1 -1.6 18.1 18.2 152 152 A S H > S+ 0 0 63 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.923 110.4 45.1 -59.4 -45.8 -4.0 16.3 15.9 153 153 A W H X S+ 0 0 19 -4,-2.3 4,-3.5 -7,-0.2 -2,-0.2 0.908 113.4 49.3 -66.2 -42.1 -1.3 13.7 15.1 154 154 A L H X S+ 0 0 29 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.896 107.6 55.0 -64.5 -39.3 -0.4 13.3 18.8 155 155 A K H < S+ 0 0 147 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.875 116.9 37.8 -60.3 -37.7 -4.0 12.9 19.7 156 156 A N H < S+ 0 0 73 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.867 111.6 56.8 -81.8 -40.4 -4.3 10.1 17.2 157 157 A I H < 0 0 11 -4,-3.5 -2,-0.2 -5,-0.1 -3,-0.2 0.920 360.0 360.0 -57.6 -46.8 -0.8 8.5 17.8 158 158 A Y < 0 0 180 -4,-2.3 -75,-0.0 -5,-0.2 0, 0.0 -0.329 360.0 360.0 -97.8 360.0 -1.6 8.1 21.5 159 !* 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 0.0 160 170 B A 0 0 101 0, 0.0 2,-0.3 0, 0.0 -90,-0.0 0.000 360.0 360.0 360.0-163.3 17.8 9.9 -7.0 161 171 B X 0 0 59 1,-0.1 -63,-0.0 -61,-0.0 0, 0.0 -0.869 360.0 360.0-135.2 164.4 21.1 8.8 -5.6 162 172 B R 0 0 279 -2,-0.3 -1,-0.1 -64,-0.1 -64,-0.0 0.826 360.0 360.0 -92.7 360.0 24.7 8.3 -6.4