==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 29-AUG-06 2I6I . COMPND 2 MOLECULE: SULFOLOBUS SOLFATARICUS PROTEIN TYROSINE . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS; . AUTHOR H.M.CHU,A.H.J.WANG . 161 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8072.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 118 73.3 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 . 6 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 71 44.1 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 0 2 1 1 1 0 1 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 0.000 360.0 360.0 360.0 140.9 17.2 -12.4 -5.3 2 2 A Y E -A 11 0A 28 9,-3.0 9,-1.9 128,-0.0 2,-0.4 -0.974 360.0-132.7-138.5 150.8 18.4 -15.9 -6.1 3 3 A W E +A 10 0A 29 -2,-0.3 7,-0.3 7,-0.2 3,-0.2 -0.831 16.2 178.2-103.2 138.4 18.1 -19.5 -4.8 4 4 A V E S+ 0 0 13 5,-2.7 2,-0.4 -2,-0.4 6,-0.2 0.711 92.0 23.6-100.1 -36.6 21.1 -21.8 -4.3 5 5 A R E >> S-A 9 0A 50 4,-2.1 3,-2.7 0, 0.0 4,-1.9 -0.948 111.0 -98.1-132.5 106.9 18.9 -24.5 -2.9 6 6 A R T 34 S- 0 0 178 -2,-0.4 4,-0.1 1,-0.3 85,-0.1 0.064 95.3 -22.8 -32.2 103.3 15.3 -24.1 -4.0 7 7 A K T 34 S+ 0 0 79 1,-0.1 84,-3.5 2,-0.1 -1,-0.3 0.347 127.4 79.7 71.7 -3.7 13.4 -22.4 -1.2 8 8 A T T <4 S- 0 0 35 -3,-2.7 84,-2.1 1,-0.3 2,-0.3 0.843 104.0 -1.3 -98.5 -45.2 15.8 -23.4 1.5 9 9 A I E < +Ab 5 92A 0 -4,-1.9 -5,-2.7 82,-0.2 -4,-2.1 -0.984 68.7 138.6-151.5 139.3 18.6 -20.9 1.1 10 10 A G E -Ab 3 93A 0 82,-1.4 84,-2.5 -2,-0.3 2,-0.3 -0.923 27.8-132.2-159.1-178.4 19.5 -18.0 -1.3 11 11 A G E +Ab 2 94A 0 -9,-1.9 -9,-3.0 -2,-0.3 2,-0.3 -0.844 19.4 162.1-140.7 177.7 20.9 -14.5 -1.4 12 12 A S E - b 0 95A 6 82,-1.3 84,-1.4 -2,-0.3 87,-0.3 -0.953 35.3 -92.3-176.0-178.5 20.4 -11.0 -2.8 13 13 A G - 0 0 20 85,-0.3 84,-0.3 -2,-0.3 85,-0.3 -0.235 62.8 -55.3 -99.2-166.6 21.5 -7.4 -2.3 14 14 A L - 0 0 15 83,-2.6 -1,-0.1 -2,-0.1 2,-0.1 -0.549 54.3-128.6 -75.0 126.5 20.0 -4.6 -0.2 15 15 A P - 0 0 3 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.493 11.5-158.8 -74.9 147.7 16.3 -3.9 -0.9 16 16 A Y S S+ 0 0 167 -2,-0.1 2,-0.3 1,-0.1 -2,-0.0 0.721 72.4 24.7 -94.7 -27.2 15.5 -0.2 -1.7 17 17 A T S > S- 0 0 60 1,-0.1 4,-1.1 28,-0.0 3,-0.3 -0.884 76.3-113.8-136.0 167.7 11.8 -0.5 -0.8 18 18 A E H > S+ 0 0 62 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.766 113.5 66.4 -71.2 -25.3 9.3 -2.4 1.2 19 19 A N H > S+ 0 0 113 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.899 99.3 50.4 -63.4 -38.6 7.8 -3.6 -2.1 20 20 A E H > S+ 0 0 61 -3,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.875 108.4 52.8 -67.3 -34.8 11.1 -5.5 -2.8 21 21 A I H X S+ 0 0 0 -4,-1.1 4,-2.0 1,-0.2 -1,-0.2 0.886 107.6 50.7 -66.4 -38.2 10.9 -7.1 0.6 22 22 A L H X S+ 0 0 76 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.866 104.6 57.6 -68.1 -33.1 7.3 -8.2 -0.1 23 23 A E H X S+ 0 0 123 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.907 104.8 52.4 -61.4 -38.8 8.6 -9.7 -3.4 24 24 A W H X>S+ 0 0 16 -4,-1.6 5,-2.3 1,-0.2 4,-0.7 0.954 107.8 51.1 -58.1 -51.0 11.0 -11.7 -1.1 25 25 A R H ><5S+ 0 0 123 -4,-2.0 3,-1.2 1,-0.2 -2,-0.2 0.910 109.3 49.4 -52.2 -48.8 8.0 -12.9 0.9 26 26 A K H 3<5S+ 0 0 191 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.872 106.7 57.0 -61.5 -38.1 6.1 -14.0 -2.3 27 27 A E H 3<5S- 0 0 74 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.612 129.2 -94.5 -69.9 -13.7 9.3 -15.9 -3.4 28 28 A G T <<5 + 0 0 16 -3,-1.2 -3,-0.2 -4,-0.7 2,-0.2 0.530 69.5 154.3 113.0 7.2 9.2 -17.9 -0.2 29 29 A V < + 0 0 3 -5,-2.3 -1,-0.3 -6,-0.2 63,-0.2 -0.470 5.4 160.1 -69.5 138.0 11.6 -16.0 2.1 30 30 A K + 0 0 101 61,-3.3 31,-1.4 1,-0.4 2,-0.3 0.600 61.4 31.6-128.9 -30.0 10.9 -16.5 5.8 31 31 A R E -cd 61 92A 11 60,-2.2 62,-2.0 29,-0.2 2,-0.5 -0.975 66.5-149.0-133.7 147.2 14.1 -15.5 7.6 32 32 A V E -cd 62 93A 0 29,-2.7 31,-2.3 -2,-0.3 2,-0.7 -0.958 6.5-160.8-127.8 123.0 16.7 -12.9 6.8 33 33 A L E -cd 63 94A 0 60,-3.1 62,-2.2 -2,-0.5 2,-0.7 -0.883 19.0-155.8 -97.2 112.0 20.5 -12.9 7.6 34 34 A V E +cd 64 95A 0 29,-3.2 31,-2.9 -2,-0.7 62,-0.2 -0.817 21.1 168.8 -94.9 113.6 21.6 -9.3 7.3 35 35 A L + 0 0 0 60,-2.4 32,-3.0 -2,-0.7 61,-0.2 0.712 40.9 96.8 -98.5 -24.7 25.3 -9.0 6.5 36 36 A P S S- 0 0 0 0, 0.0 29,-0.1 0, 0.0 2,-0.1 -0.223 76.1-107.4 -66.5 160.6 26.0 -5.3 5.6 37 37 A E > - 0 0 61 30,-0.3 4,-2.0 29,-0.1 3,-0.4 -0.310 36.7 -96.6 -78.4 169.4 27.3 -2.8 8.2 38 38 A D H > S+ 0 0 71 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.920 122.1 52.3 -52.3 -51.9 25.1 -0.1 9.7 39 39 A W H > S+ 0 0 132 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.829 109.0 51.0 -58.1 -33.4 26.3 2.7 7.3 40 40 A E H >4 S+ 0 0 8 -3,-0.4 3,-0.6 2,-0.2 4,-0.4 0.929 112.8 44.8 -69.3 -45.2 25.5 0.5 4.3 41 41 A I H >X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 3,-1.6 0.907 109.3 57.7 -63.1 -42.9 22.0 -0.3 5.5 42 42 A E H 3X S+ 0 0 80 -4,-3.0 4,-2.0 1,-0.3 -1,-0.2 0.691 90.4 72.0 -61.7 -21.9 21.5 3.4 6.3 43 43 A E H << S+ 0 0 137 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.774 117.6 19.5 -66.5 -24.5 22.2 4.4 2.8 44 44 A S H <4 S+ 0 0 42 -3,-1.6 -2,-0.2 -4,-0.4 -1,-0.2 0.633 140.3 30.0-115.0 -24.3 18.8 2.9 1.8 45 45 A W H < S- 0 0 28 -4,-2.6 2,-2.6 -5,-0.1 -3,-0.2 0.372 84.1-138.2-121.2 5.6 17.1 2.9 5.2 46 46 A G S < S+ 0 0 55 -4,-2.0 2,-0.4 -5,-0.2 -4,-0.2 -0.085 85.0 42.2 68.7 -43.9 18.5 5.8 7.2 47 47 A D > - 0 0 74 -2,-2.6 4,-2.0 -6,-0.2 5,-0.2 -0.995 68.9-143.7-140.3 133.1 18.6 3.7 10.4 48 48 A K H > S+ 0 0 51 -2,-0.4 4,-2.5 1,-0.2 5,-0.2 0.926 105.1 48.7 -57.6 -49.5 19.7 0.1 10.9 49 49 A D H > S+ 0 0 93 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.893 108.7 54.4 -58.9 -41.4 17.1 -0.6 13.6 50 50 A Y H > S+ 0 0 127 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.896 108.9 48.2 -60.5 -41.2 14.4 0.9 11.4 51 51 A Y H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.953 111.9 50.0 -64.0 -47.3 15.4 -1.5 8.6 52 52 A L H X S+ 0 0 28 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.883 109.7 49.2 -59.2 -40.9 15.3 -4.4 11.0 53 53 A S H X S+ 0 0 59 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.835 107.9 56.6 -69.0 -29.7 11.9 -3.5 12.4 54 54 A I H X S+ 0 0 6 -4,-1.6 4,-1.0 -5,-0.2 -2,-0.2 0.914 107.7 46.4 -65.8 -43.7 10.6 -3.3 8.8 55 55 A L H ><>S+ 0 0 0 -4,-2.0 5,-2.3 1,-0.2 3,-0.8 0.941 114.1 49.0 -62.5 -45.7 11.7 -6.8 8.0 56 56 A K H ><5S+ 0 0 131 -4,-2.1 3,-1.4 1,-0.3 -2,-0.2 0.861 107.6 54.1 -62.1 -37.7 10.1 -8.0 11.3 57 57 A K H 3<5S+ 0 0 129 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.716 104.7 56.7 -70.7 -19.6 6.9 -6.2 10.5 58 58 A N T <<5S- 0 0 17 -4,-1.0 -1,-0.3 -3,-0.8 -2,-0.2 0.169 126.6 -96.5 -98.9 19.0 6.8 -8.0 7.2 59 59 A G T < 5S+ 0 0 32 -3,-1.4 2,-0.6 1,-0.2 -3,-0.2 0.591 85.5 126.4 80.9 13.1 6.9 -11.4 8.8 60 60 A L < - 0 0 1 -5,-2.3 -29,-0.2 -6,-0.2 -1,-0.2 -0.911 54.2-142.4-109.6 121.2 10.6 -12.0 8.4 61 61 A Q E -c 31 0A 93 -31,-1.4 -29,-2.7 -2,-0.6 2,-0.3 -0.693 28.5-156.6 -78.4 118.3 12.7 -12.9 11.4 62 62 A P E -c 32 0A 20 0, 0.0 2,-0.4 0, 0.0 -29,-0.2 -0.730 19.1-169.8-103.6 153.8 16.0 -11.0 11.0 63 63 A L E -c 33 0A 40 -31,-2.3 -29,-3.2 -2,-0.3 2,-0.6 -0.989 14.5-149.6-136.2 123.7 19.5 -11.6 12.3 64 64 A H E +c 34 0A 33 -2,-0.4 -29,-0.2 -31,-0.2 -31,-0.1 -0.864 23.3 165.7-103.7 115.0 22.1 -8.9 11.9 65 65 A I - 0 0 14 -31,-2.9 2,-0.1 -2,-0.6 -2,-0.0 -0.844 29.0-144.9-128.6 91.3 25.7 -10.0 11.6 66 66 A P - 0 0 49 0, 0.0 -29,-0.1 0, 0.0 -31,-0.1 -0.357 20.2-179.5 -60.2 124.4 27.8 -7.1 10.2 67 67 A I - 0 0 0 -32,-3.0 -30,-0.3 -2,-0.1 3,-0.1 -0.991 30.8-116.8-129.9 123.8 30.6 -8.1 7.9 68 68 A P > - 0 0 66 0, 0.0 3,-2.5 0, 0.0 -33,-0.0 -0.281 45.7 -92.2 -56.9 141.8 32.9 -5.5 6.4 69 69 A D T 3 S+ 0 0 111 1,-0.3 3,-0.1 32,-0.0 27,-0.0 -0.296 115.7 18.2 -55.8 136.4 32.7 -5.4 2.6 70 70 A G T 3 S+ 0 0 17 1,-0.3 69,-0.3 -3,-0.1 -1,-0.3 0.223 112.6 104.2 85.2 -14.9 35.3 -7.7 1.1 71 71 A G < - 0 0 7 -3,-2.5 -1,-0.3 67,-0.1 65,-0.1 -0.090 63.8-127.1 -92.0-171.5 35.6 -9.5 4.4 72 72 A V - 0 0 27 -3,-0.1 30,-0.1 33,-0.0 -1,-0.1 -0.889 36.3 -90.6-130.6 160.0 34.6 -12.7 6.1 73 73 A P - 0 0 4 0, 0.0 -6,-0.1 0, 0.0 2,-0.1 -0.368 43.9-111.9 -69.6 156.3 32.8 -13.3 9.4 74 74 A S > - 0 0 54 1,-0.1 4,-2.6 4,-0.0 5,-0.2 -0.315 38.9 -98.7 -74.1 173.1 35.0 -13.8 12.5 75 75 A D H > S+ 0 0 71 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.922 125.6 48.1 -63.7 -44.1 34.9 -17.3 13.9 76 76 A S H > S+ 0 0 84 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.941 112.6 49.6 -62.7 -43.4 32.3 -16.5 16.6 77 77 A Q H > S+ 0 0 47 1,-0.2 4,-3.4 2,-0.2 5,-0.2 0.922 109.1 52.4 -59.0 -44.0 30.2 -14.7 14.0 78 78 A F H X S+ 0 0 0 -4,-2.6 4,-3.0 1,-0.2 -1,-0.2 0.917 108.4 51.0 -58.7 -42.0 30.4 -17.7 11.7 79 79 A L H X S+ 0 0 54 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.927 113.3 44.8 -60.6 -45.6 29.3 -20.0 14.5 80 80 A T H X S+ 0 0 69 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.941 113.2 50.2 -63.4 -50.1 26.3 -17.7 15.2 81 81 A I H X S+ 0 0 0 -4,-3.4 4,-2.8 1,-0.2 5,-0.2 0.928 115.0 44.4 -53.5 -47.9 25.5 -17.4 11.4 82 82 A M H X S+ 0 0 0 -4,-3.0 4,-2.0 -5,-0.2 -1,-0.2 0.852 110.4 52.1 -70.2 -35.1 25.6 -21.2 11.1 83 83 A K H X S+ 0 0 140 -4,-2.5 4,-0.7 -5,-0.2 -1,-0.2 0.927 114.9 45.6 -66.1 -39.5 23.6 -21.9 14.3 84 84 A W H >X S+ 0 0 45 -4,-2.5 4,-0.9 2,-0.2 3,-0.7 0.936 113.3 46.0 -67.2 -49.8 21.0 -19.6 12.9 85 85 A L H 3< S+ 0 0 0 -4,-2.8 -1,-0.2 1,-0.2 3,-0.2 0.845 115.1 48.9 -63.9 -32.4 20.9 -20.9 9.3 86 86 A L H 3< S+ 0 0 39 -4,-2.0 -1,-0.2 -5,-0.2 3,-0.2 0.601 97.7 70.0 -83.5 -11.9 20.8 -24.5 10.6 87 87 A S H << S+ 0 0 61 -3,-0.7 2,-0.4 -4,-0.7 -1,-0.2 0.876 111.3 23.8 -73.8 -37.9 17.9 -23.8 13.1 88 88 A E < - 0 0 106 -4,-0.9 -1,-0.3 -3,-0.2 -57,-0.1 -0.969 67.3-168.8-131.0 116.3 15.2 -23.3 10.4 89 89 A K > + 0 0 129 -2,-0.4 3,-0.6 -3,-0.2 2,-0.2 0.860 59.7 79.0 -75.7 -36.5 15.8 -24.9 7.0 90 90 A E T 3 S+ 0 0 134 1,-0.2 -82,-0.3 -60,-0.0 -60,-0.1 -0.515 98.9 0.9 -82.9 140.2 13.0 -23.3 4.9 91 91 A G T 3 S+ 0 0 1 -84,-3.5 -61,-3.3 -2,-0.2 -60,-2.2 0.744 73.5 165.7 63.7 32.7 13.1 -19.8 3.4 92 92 A N E < -bd 9 31A 0 -84,-2.1 -82,-1.4 -3,-0.6 2,-0.4 -0.645 12.7-172.0 -81.7 131.3 16.5 -18.6 4.5 93 93 A L E -bd 10 32A 1 -62,-2.0 -60,-3.1 -2,-0.4 2,-0.4 -0.987 6.8-166.4-124.4 134.0 17.7 -15.5 2.7 94 94 A V E +bd 11 33A 0 -84,-2.5 -82,-1.3 -2,-0.4 2,-0.3 -0.975 16.4 174.7-117.7 130.5 21.2 -14.0 3.1 95 95 A H E +bd 12 34A 0 -62,-2.2 -60,-2.4 -2,-0.4 -82,-0.2 -0.987 19.1 168.1-141.0 150.8 21.9 -10.5 1.8 96 96 A C - 0 0 3 -84,-1.4 -27,-0.0 -2,-0.3 -61,-0.0 -0.161 60.5 -72.5-125.2-138.8 24.7 -7.9 1.7 97 97 A V S S+ 0 0 51 -84,-0.3 -83,-2.6 -2,-0.1 -84,-0.0 0.927 124.7 14.5 -92.4 -58.7 24.5 -4.8 -0.5 98 98 A G S S- 0 0 58 -85,-0.3 -85,-0.3 -86,-0.1 -1,-0.0 0.646 100.9-122.6 -90.2 -17.8 25.1 -5.9 -4.1 99 99 A G S S+ 0 0 1 -87,-0.3 -86,-0.1 -98,-0.0 -5,-0.1 0.613 83.5 84.9 88.7 15.2 24.5 -9.6 -3.3 100 100 A I S > S+ 0 0 47 3,-0.1 34,-2.0 33,-0.1 4,-0.8 0.840 80.6 34.2-115.9 -51.4 27.8 -11.1 -4.5 101 101 A G H > S+ 0 0 5 32,-0.3 4,-1.9 33,-0.2 33,-0.4 0.999 123.5 24.6 -72.6 -74.2 30.9 -11.1 -2.2 102 102 A R H > S+ 0 0 5 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.873 126.9 49.8 -60.4 -40.5 29.9 -11.6 1.5 103 103 A T H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.921 109.2 50.3 -67.6 -44.8 26.7 -13.3 0.6 104 104 A G H X S+ 0 0 0 -4,-0.8 4,-2.6 1,-0.2 -1,-0.2 0.866 109.8 52.7 -62.4 -34.1 28.3 -15.7 -1.8 105 105 A T H X S+ 0 0 1 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.927 110.9 44.9 -67.0 -46.5 30.9 -16.6 0.8 106 106 A I H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.945 114.3 49.5 -64.0 -45.8 28.3 -17.4 3.4 107 107 A L H X S+ 0 0 1 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.943 112.2 47.2 -58.6 -48.0 26.2 -19.4 0.9 108 108 A A H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.894 111.1 52.5 -61.2 -39.7 29.2 -21.4 -0.2 109 109 A S H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.891 106.0 54.6 -62.1 -39.4 30.2 -22.1 3.4 110 110 A Y H X S+ 0 0 5 -4,-2.3 4,-2.8 1,-0.2 5,-0.3 0.917 109.7 45.8 -60.8 -45.9 26.7 -23.3 4.2 111 111 A L H X>S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 6,-1.1 0.844 109.1 56.2 -66.9 -36.4 26.9 -25.9 1.4 112 112 A I H X5S+ 0 0 0 -4,-2.0 4,-1.2 4,-0.2 -2,-0.2 0.962 115.4 37.5 -60.3 -48.9 30.4 -26.9 2.4 113 113 A L H <5S+ 0 0 1 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.891 124.0 38.6 -70.7 -41.8 29.1 -27.7 5.9 114 114 A T H <5S+ 0 0 49 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.758 131.4 24.0 -84.0 -27.2 25.7 -29.2 5.1 115 115 A E H <5S- 0 0 90 -4,-2.4 -3,-0.2 -5,-0.3 -2,-0.2 0.498 96.4-124.2-115.7 -6.6 26.6 -31.2 1.9 116 116 A G << + 0 0 37 -4,-1.2 -4,-0.2 -5,-0.5 -3,-0.1 0.706 47.7 171.7 70.8 20.2 30.3 -31.7 2.4 117 117 A L - 0 0 35 -6,-1.1 -1,-0.2 -9,-0.1 2,-0.1 -0.314 38.2-110.8 -63.4 144.2 31.1 -30.1 -0.9 118 118 A E >> - 0 0 107 1,-0.1 4,-2.2 4,-0.0 3,-0.9 -0.456 36.9-103.2 -70.9 152.2 34.7 -29.5 -1.7 119 119 A V H 3> S+ 0 0 22 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.844 120.5 50.5 -46.3 -43.8 35.6 -25.8 -1.6 120 120 A E H 3> S+ 0 0 83 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.845 110.0 49.3 -67.4 -34.4 35.7 -25.5 -5.5 121 121 A S H <> S+ 0 0 50 -3,-0.9 4,-2.4 2,-0.2 -2,-0.2 0.937 111.5 49.4 -68.9 -45.2 32.3 -27.2 -5.9 122 122 A A H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.930 114.0 45.5 -58.5 -47.5 30.7 -24.9 -3.4 123 123 A I H X S+ 0 0 15 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.933 112.5 50.5 -63.3 -45.3 32.1 -21.8 -5.0 124 124 A D H X S+ 0 0 87 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.869 107.8 54.5 -61.8 -37.0 31.2 -23.0 -8.5 125 125 A E H X S+ 0 0 61 -4,-2.4 4,-0.8 2,-0.2 3,-0.2 0.928 111.4 42.2 -63.4 -46.5 27.6 -23.7 -7.4 126 126 A V H >X S+ 0 0 0 -4,-1.8 4,-1.8 1,-0.2 3,-0.6 0.884 112.1 55.4 -69.0 -36.3 27.0 -20.2 -6.1 127 127 A R H 3< S+ 0 0 87 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.771 101.5 59.4 -67.0 -25.2 28.8 -18.6 -9.0 128 128 A L H 3< S+ 0 0 148 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.787 115.0 32.6 -74.9 -29.1 26.5 -20.4 -11.4 129 129 A V H << S+ 0 0 68 -4,-0.8 -2,-0.2 -3,-0.6 -1,-0.2 0.626 136.9 26.4 -98.0 -18.7 23.3 -18.8 -10.0 130 130 A R S >< S- 0 0 87 -4,-1.8 3,-1.7 -5,-0.2 -1,-0.3 -0.762 82.2-142.6-147.0 95.5 25.2 -15.6 -9.1 131 131 A P T 3 S+ 0 0 90 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.275 87.8 25.9 -58.8 138.9 28.3 -14.6 -11.2 132 132 A G T 3 S+ 0 0 32 1,-0.3 -5,-0.1 2,-0.1 -28,-0.1 0.428 80.4 158.5 88.3 -2.7 31.0 -13.0 -9.1 133 133 A A < + 0 0 0 -3,-1.7 -1,-0.3 -7,-0.1 -32,-0.3 -0.272 61.3 30.2 -52.8 140.7 29.9 -14.7 -5.9 134 134 A V S S- 0 0 3 -34,-2.0 -33,-0.2 -33,-0.4 -32,-0.1 0.892 73.3-175.5 67.3 99.1 32.9 -14.8 -3.6 135 135 A Q + 0 0 108 1,-0.0 2,-0.2 2,-0.0 -34,-0.1 0.926 47.3 54.2 -92.4 -55.6 35.0 -11.7 -4.4 136 136 A T S > S- 0 0 46 -66,-0.1 4,-2.2 -65,-0.1 3,-0.3 -0.483 71.5-122.8 -95.4 158.6 38.2 -11.5 -2.4 137 137 A Y H > S+ 0 0 189 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.875 114.6 59.2 -56.9 -39.6 41.2 -13.8 -1.7 138 138 A E H > S+ 0 0 101 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.893 106.7 45.9 -57.7 -43.5 40.4 -13.5 2.0 139 139 A Q H > S+ 0 0 1 -3,-0.3 4,-2.4 -69,-0.3 -1,-0.2 0.878 111.4 52.0 -68.7 -38.0 36.9 -15.0 1.3 140 140 A E H X S+ 0 0 71 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.894 110.9 48.2 -64.8 -38.5 38.5 -17.7 -0.9 141 141 A M H X S+ 0 0 124 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.872 109.3 53.7 -67.8 -39.5 40.9 -18.6 2.0 142 142 A F H X S+ 0 0 12 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.958 107.2 50.9 -59.6 -51.0 38.1 -18.6 4.5 143 143 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.3 -1,-0.2 0.884 108.3 50.6 -55.4 -43.1 36.1 -21.1 2.4 144 144 A L H X S+ 0 0 102 -4,-1.7 4,-2.6 1,-0.2 -1,-0.3 0.907 110.8 51.4 -62.4 -37.6 39.1 -23.5 2.1 145 145 A R H X S+ 0 0 97 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.869 105.1 55.2 -66.2 -37.5 39.4 -23.2 5.8 146 146 A V H < S+ 0 0 0 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.953 110.4 45.7 -61.2 -46.4 35.7 -24.1 6.3 147 147 A E H >< S+ 0 0 61 -4,-2.2 3,-1.4 1,-0.2 4,-0.3 0.943 113.2 50.0 -61.0 -48.0 36.2 -27.3 4.3 148 148 A G H 3< S+ 0 0 68 -4,-2.6 3,-0.3 1,-0.3 -1,-0.2 0.875 120.4 34.4 -57.3 -42.1 39.4 -28.1 6.2 149 149 A M T 3X S+ 0 0 58 -4,-2.6 4,-2.7 1,-0.2 3,-0.3 0.101 80.0 124.7-101.4 19.9 37.7 -27.6 9.6 150 150 A R H <> S+ 0 0 66 -3,-1.4 4,-2.6 1,-0.2 5,-0.2 0.899 74.2 48.8 -44.6 -54.5 34.3 -28.9 8.6 151 151 A K H > S+ 0 0 155 -4,-0.3 4,-2.4 -3,-0.3 -1,-0.2 0.893 113.5 46.8 -55.6 -44.6 34.2 -31.5 11.4 152 152 A S H > S+ 0 0 59 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.872 110.5 52.0 -68.1 -38.3 35.2 -29.0 14.1 153 153 A W H X S+ 0 0 13 -4,-2.7 4,-2.3 -7,-0.2 -2,-0.2 0.945 111.9 47.2 -62.2 -46.8 32.8 -26.4 12.9 154 154 A L H X S+ 0 0 39 -4,-2.6 4,-2.2 -5,-0.3 -2,-0.2 0.924 111.1 50.8 -59.7 -47.2 29.9 -28.9 13.1 155 155 A K H < S+ 0 0 153 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.884 114.0 44.9 -58.3 -40.2 31.0 -30.1 16.5 156 156 A N H >< S+ 0 0 60 -4,-2.2 3,-0.7 1,-0.2 -1,-0.2 0.802 109.5 55.5 -74.6 -31.0 31.1 -26.5 17.8 157 157 A I H 3< S+ 0 0 17 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.910 113.7 40.4 -68.1 -40.4 27.8 -25.6 16.1 158 158 A Y T 3< S+ 0 0 143 -4,-2.2 2,-0.6 -5,-0.2 -1,-0.2 0.234 72.7 143.2 -95.1 14.4 26.0 -28.5 17.9 159 159 A S < + 0 0 87 -3,-0.7 2,-0.2 -5,-0.1 -3,-0.1 -0.382 33.9 158.4 -55.9 104.2 27.6 -28.2 21.3 160 160 A N 0 0 132 -2,-0.6 -2,-0.1 0, 0.0 -1,-0.0 -0.698 360.0 360.0-126.3 178.5 24.6 -29.0 23.4 161 161 A S 0 0 165 -2,-0.2 -2,-0.1 0, 0.0 0, 0.0 -0.331 360.0 360.0 -73.8 360.0 23.5 -30.3 26.8