==== 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 2I6O . COMPND 2 MOLECULE: SULFOLOBUS SOLFATARICUS PROTEIN TYROSINE . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS; . AUTHOR H.M.CHU,A.H.J.WANG . 163 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8262.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 111 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 9.2 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 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 69 42.3 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 2 1 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 84 0, 0.0 2,-0.3 0, 0.0 11,-0.2 0.000 360.0 360.0 360.0 142.0 24.0 2.7 8.6 2 2 A Y E -A 11 0A 30 9,-2.4 9,-2.7 128,-0.0 2,-0.5 -0.993 360.0-136.1-138.4 144.3 23.8 5.8 10.9 3 3 A W E -A 10 0A 33 -2,-0.3 7,-0.3 7,-0.3 3,-0.3 -0.841 13.2-177.0 -97.9 132.0 22.3 6.5 14.3 4 4 A V E S+ 0 0 13 5,-2.4 2,-0.4 -2,-0.5 6,-0.2 0.778 93.0 21.4 -91.0 -36.7 20.3 9.8 14.7 5 5 A R E >> S-A 9 0A 60 4,-2.0 3,-2.9 0, 0.0 4,-2.0 -0.940 112.5 -99.2-132.8 103.3 19.8 9.0 18.4 6 6 A R T 34 S- 0 0 184 -2,-0.4 4,-0.1 1,-0.3 85,-0.1 0.129 94.2 -19.4 -28.4 116.6 22.4 6.5 19.5 7 7 A K T 34 S+ 0 0 66 1,-0.1 84,-2.8 20,-0.1 -1,-0.3 0.505 129.2 79.0 57.9 5.8 21.1 2.9 19.6 8 8 A T T <4 S- 0 0 26 -3,-2.9 84,-2.1 1,-0.3 2,-0.3 0.828 104.3 -5.1-105.9 -54.3 17.5 4.3 19.6 9 9 A I E < +Ab 5 92A 1 -4,-2.0 -5,-2.4 82,-0.2 -4,-2.0 -0.965 69.4 154.7-148.9 129.4 16.7 5.3 16.1 10 10 A G E -Ab 3 93A 0 82,-2.5 84,-2.1 -2,-0.3 2,-0.3 -0.792 26.1-125.5-140.0-176.2 18.8 5.3 12.9 11 11 A G E +Ab 2 94A 0 -9,-2.7 -9,-2.4 -2,-0.2 2,-0.3 -0.884 21.9 166.1-135.4 166.7 18.7 5.1 9.2 12 12 A S E - b 0 95A 12 82,-1.3 84,-1.6 -2,-0.3 87,-0.3 -0.980 31.1-110.5-167.8 167.5 20.1 3.1 6.3 13 13 A G - 0 0 18 -2,-0.3 85,-0.2 85,-0.3 84,-0.2 -0.237 61.4 -64.4 -93.2-169.5 19.8 2.4 2.6 14 14 A L - 0 0 24 83,-2.1 -1,-0.1 -2,-0.1 83,-0.1 -0.695 55.8-127.1 -82.2 119.9 18.6 -1.0 1.2 15 15 A P - 0 0 0 0, 0.0 3,-0.1 0, 0.0 29,-0.0 -0.325 13.0-157.4 -66.0 151.7 21.2 -3.7 2.1 16 16 A Y S S+ 0 0 164 1,-0.2 2,-0.3 29,-0.0 -2,-0.0 0.723 72.8 23.9-100.6 -29.8 22.5 -5.8 -0.8 17 17 A T S >> S- 0 0 67 1,-0.1 3,-0.9 0, 0.0 4,-0.6 -0.901 78.1-113.7-133.1 164.0 23.6 -8.9 1.1 18 18 A E H >> S+ 0 0 56 -2,-0.3 4,-1.5 1,-0.2 3,-0.9 0.787 110.6 70.6 -67.0 -28.5 22.7 -10.6 4.4 19 19 A N H 3> S+ 0 0 101 1,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.820 93.4 57.0 -59.8 -29.1 26.2 -9.9 5.8 20 20 A E H <> S+ 0 0 78 -3,-0.9 4,-1.5 1,-0.2 -1,-0.3 0.829 102.0 55.6 -69.7 -31.0 25.1 -6.2 5.9 21 21 A I H S+ 0 0 9 -4,-1.5 5,-2.3 1,-0.2 4,-0.5 0.938 107.2 50.9 -57.4 -46.8 23.2 -3.9 11.7 25 25 A R H ><5S+ 0 0 119 -4,-1.9 3,-1.5 1,-0.2 -1,-0.2 0.905 105.9 54.1 -58.1 -43.9 22.9 -6.4 14.5 26 26 A K H 3<5S+ 0 0 148 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.842 106.3 54.0 -59.5 -33.2 26.4 -5.6 15.7 27 27 A E T 3<5S- 0 0 82 -4,-1.7 -1,-0.3 -3,-0.4 -2,-0.2 0.552 127.7 -98.8 -79.5 -7.3 25.4 -1.9 15.9 28 28 A G T < 5 + 0 0 23 -3,-1.5 -3,-0.2 -4,-0.5 2,-0.2 0.540 66.9 155.9 103.5 8.1 22.4 -2.7 18.0 29 29 A V < + 0 0 4 -5,-2.3 -1,-0.3 -6,-0.2 63,-0.2 -0.497 5.1 159.0 -70.2 134.9 19.6 -2.8 15.5 30 30 A K + 0 0 104 61,-2.8 31,-1.9 1,-0.4 2,-0.4 0.591 61.8 36.9-124.9 -31.5 16.7 -4.9 16.6 31 31 A R E -cd 61 92A 10 60,-2.4 62,-2.4 29,-0.2 2,-0.4 -0.965 65.0-155.8-129.8 146.3 13.7 -3.7 14.6 32 32 A V E -cd 62 93A 0 29,-2.6 31,-1.9 -2,-0.4 2,-0.8 -0.970 8.3-156.8-130.9 122.5 13.5 -2.5 11.0 33 33 A L E -cd 63 94A 0 60,-3.5 62,-2.5 -2,-0.4 2,-0.6 -0.859 19.9-153.7 -94.8 111.4 11.0 -0.2 9.3 34 34 A V E +cd 64 95A 0 29,-2.9 31,-2.8 -2,-0.8 62,-0.2 -0.789 20.5 171.5 -91.4 115.7 11.1 -1.1 5.6 35 35 A L + 0 0 0 60,-2.5 32,-3.0 -2,-0.6 61,-0.2 0.685 40.2 99.5 -99.5 -22.4 10.1 1.9 3.4 36 36 A P S S- 0 0 0 0, 0.0 2,-0.1 0, 0.0 29,-0.0 -0.299 74.6-108.8 -69.2 155.3 10.8 0.9 -0.2 37 37 A E >> - 0 0 59 30,-0.3 4,-1.7 29,-0.1 3,-0.6 -0.340 35.8 -98.1 -74.7 162.7 8.1 -0.4 -2.5 38 38 A D H 3> S+ 0 0 68 1,-0.2 4,-3.0 2,-0.2 3,-0.2 0.889 121.6 50.8 -46.2 -54.8 7.9 -4.0 -3.6 39 39 A W H 3> S+ 0 0 138 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.840 107.3 54.3 -57.4 -36.7 9.5 -3.5 -7.0 40 40 A E H <> S+ 0 0 10 -3,-0.6 4,-0.8 2,-0.2 -1,-0.2 0.901 112.5 43.0 -65.0 -41.4 12.5 -1.6 -5.4 41 41 A I H >X S+ 0 0 0 -4,-1.7 4,-3.0 -3,-0.2 3,-0.9 0.932 113.7 51.1 -69.7 -45.3 13.1 -4.5 -3.1 42 42 A E H 3X S+ 0 0 91 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.856 101.1 64.7 -58.9 -36.4 12.6 -7.1 -5.8 43 43 A E H 3< S+ 0 0 150 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.843 116.3 26.2 -56.3 -37.1 15.1 -5.2 -8.0 44 44 A S H << S+ 0 0 48 -3,-0.9 -2,-0.2 -4,-0.8 -1,-0.2 0.846 135.0 28.8 -95.9 -41.1 17.9 -5.9 -5.5 45 45 A W H < S- 0 0 45 -4,-3.0 -3,-0.2 -5,-0.1 -2,-0.2 0.682 94.7-123.7 -96.5 -20.6 16.9 -9.2 -3.8 46 46 A G S < S+ 0 0 56 -4,-2.0 2,-0.3 -5,-0.5 -4,-0.2 0.085 89.9 39.2 99.0 -24.2 14.8 -10.9 -6.5 47 47 A D > - 0 0 77 -6,-0.3 4,-1.6 1,-0.1 5,-0.1 -0.920 65.2-146.5-160.8 131.9 11.7 -11.2 -4.3 48 48 A K H > S+ 0 0 43 -2,-0.3 4,-2.2 2,-0.2 5,-0.2 0.929 101.1 46.4 -66.2 -50.1 10.1 -8.9 -1.7 49 49 A D H > S+ 0 0 101 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.859 109.1 56.8 -63.4 -34.7 8.8 -11.5 0.8 50 50 A Y H > S+ 0 0 106 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.926 107.6 48.6 -61.8 -43.0 12.2 -13.3 0.6 51 51 A Y H X S+ 0 0 0 -4,-1.6 4,-1.3 1,-0.2 -2,-0.2 0.941 112.8 46.9 -61.9 -47.7 13.9 -10.1 1.7 52 52 A L H X S+ 0 0 25 -4,-2.2 4,-1.6 1,-0.2 3,-0.3 0.891 111.4 51.2 -62.1 -39.1 11.4 -9.6 4.6 53 53 A S H X S+ 0 0 57 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.831 105.2 57.8 -67.2 -31.0 11.7 -13.2 5.7 54 54 A I H X S+ 0 0 5 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.818 102.6 52.9 -68.6 -31.6 15.5 -12.8 5.7 55 55 A L H <>S+ 0 0 0 -4,-1.3 5,-2.6 -3,-0.3 -1,-0.2 0.934 113.6 43.6 -68.1 -43.6 15.3 -10.0 8.2 56 56 A K H ><5S+ 0 0 142 -4,-1.6 3,-1.9 1,-0.2 -2,-0.2 0.895 109.0 57.1 -66.0 -42.3 13.2 -12.2 10.4 57 57 A K H 3<5S+ 0 0 126 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.884 106.3 51.4 -56.4 -39.9 15.5 -15.2 9.9 58 58 A N T 3<5S- 0 0 34 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.087 127.1 -97.8 -87.5 23.3 18.4 -13.1 11.2 59 59 A G T < 5S+ 0 0 50 -3,-1.9 2,-0.3 1,-0.2 -3,-0.2 0.654 81.9 127.2 74.2 17.9 16.5 -12.1 14.3 60 60 A L < - 0 0 3 -5,-2.6 -1,-0.2 -6,-0.1 -29,-0.2 -0.836 55.2-133.6-108.4 146.8 15.2 -8.7 13.3 61 61 A Q E -c 31 0A 109 -31,-1.9 -29,-2.6 -2,-0.3 2,-0.3 -0.878 30.1-165.4-100.0 112.9 11.5 -7.7 13.5 62 62 A P E -c 32 0A 24 0, 0.0 2,-0.4 0, 0.0 -29,-0.2 -0.680 18.9-170.1-102.9 156.0 10.4 -5.9 10.3 63 63 A L E -c 33 0A 48 -31,-1.9 -29,-2.9 -2,-0.3 2,-0.7 -0.979 17.1-146.9-138.5 122.1 7.4 -3.8 9.3 64 64 A H E +c 34 0A 36 -2,-0.4 -29,-0.2 -31,-0.2 -31,-0.1 -0.843 24.4 167.0 -96.9 113.3 6.9 -3.1 5.6 65 65 A I - 0 0 19 -31,-2.8 2,-0.2 -2,-0.7 -28,-0.1 -0.793 27.6-146.8-126.3 86.6 5.4 0.4 5.0 66 66 A P - 0 0 46 0, 0.0 -29,-0.1 0, 0.0 -31,-0.1 -0.348 19.5-179.6 -58.3 116.2 5.8 1.1 1.2 67 67 A I - 0 0 3 -32,-3.0 -30,-0.3 -2,-0.2 3,-0.1 -0.975 34.2-108.1-120.6 131.2 6.4 4.7 0.4 68 68 A P > - 0 0 61 0, 0.0 3,-2.7 0, 0.0 2,-0.0 -0.286 47.5 -92.5 -57.3 141.6 6.8 5.9 -3.2 69 69 A D T 3 S+ 0 0 48 1,-0.3 3,-0.1 32,-0.0 27,-0.0 -0.322 114.8 11.2 -57.5 131.1 10.4 7.0 -4.0 70 70 A G T 3 S+ 0 0 9 1,-0.3 69,-0.3 -3,-0.1 -1,-0.3 0.483 118.1 101.9 77.1 2.5 10.8 10.7 -3.4 71 71 A G < - 0 0 5 -3,-2.7 -1,-0.3 67,-0.1 65,-0.1 -0.225 65.4-119.4-105.3-165.4 7.3 10.6 -1.8 72 72 A V - 0 0 25 -3,-0.1 2,-0.1 -2,-0.1 67,-0.1 -0.884 30.3 -92.7-135.2 164.1 5.8 10.6 1.7 73 73 A P - 0 0 6 0, 0.0 -6,-0.1 0, 0.0 2,-0.1 -0.425 40.1-114.4 -76.5 153.7 3.6 8.3 3.8 74 74 A S > - 0 0 60 -2,-0.1 4,-2.8 1,-0.1 5,-0.2 -0.305 37.6 -99.5 -75.6 171.1 -0.2 8.7 3.8 75 75 A D H > S+ 0 0 78 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.901 126.7 50.8 -60.5 -40.0 -1.7 9.8 7.1 76 76 A S H > S+ 0 0 92 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.907 112.3 46.0 -63.6 -43.0 -2.7 6.2 7.8 77 77 A Q H > S+ 0 0 47 1,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.889 111.6 52.0 -67.1 -39.8 0.9 5.0 7.1 78 78 A F H X S+ 0 0 0 -4,-2.8 4,-2.9 2,-0.2 5,-0.2 0.897 108.6 49.5 -66.0 -39.7 2.4 7.7 9.2 79 79 A L H X S+ 0 0 50 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.934 113.9 47.3 -62.4 -43.6 0.3 6.9 12.2 80 80 A T H X S+ 0 0 64 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.911 112.2 50.3 -62.0 -44.5 1.3 3.3 11.8 81 81 A I H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.937 112.0 46.0 -60.8 -49.2 4.9 4.3 11.4 82 82 A M H X S+ 0 0 1 -4,-2.9 4,-1.6 1,-0.2 -1,-0.2 0.863 112.7 49.8 -65.0 -35.7 4.9 6.5 14.5 83 83 A K H X S+ 0 0 94 -4,-2.2 4,-1.4 -5,-0.2 -1,-0.2 0.886 112.5 48.7 -69.9 -36.5 3.1 3.8 16.6 84 84 A W H X S+ 0 0 39 -4,-2.2 4,-0.7 2,-0.2 3,-0.3 0.940 112.5 46.7 -66.0 -49.1 5.6 1.2 15.5 85 85 A L H < S+ 0 0 0 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.804 118.3 42.8 -64.6 -29.4 8.7 3.4 16.2 86 86 A L H < S+ 0 0 46 -4,-1.6 3,-0.3 -5,-0.2 -1,-0.2 0.640 97.9 72.6 -91.5 -16.7 7.3 4.3 19.6 87 87 A S H < S+ 0 0 71 -4,-1.4 2,-0.4 1,-0.3 -1,-0.2 0.779 111.7 27.8 -68.9 -25.6 6.1 0.8 20.6 88 88 A E S < S- 0 0 104 -4,-0.7 -1,-0.3 -3,-0.1 -57,-0.1 -0.911 73.5-162.8-140.1 107.2 9.7 -0.3 21.1 89 89 A K + 0 0 142 -2,-0.4 3,-0.4 -3,-0.3 2,-0.2 0.877 63.7 57.5 -57.7 -50.2 12.2 2.5 22.1 90 90 A E S S+ 0 0 109 1,-0.2 -82,-0.3 -81,-0.0 -83,-0.1 -0.567 97.1 19.4 -97.2 154.1 15.6 0.9 21.3 91 91 A G S S+ 0 0 0 -84,-2.8 -61,-2.8 1,-0.2 -60,-2.4 0.706 72.2 162.2 72.4 24.6 17.2 -0.5 18.2 92 92 A N E -bd 9 31A 1 -84,-2.1 -82,-2.5 -3,-0.4 2,-0.4 -0.644 14.8-175.6 -83.0 124.4 15.0 1.1 15.6 93 93 A L E -bd 10 32A 0 -62,-2.4 -60,-3.5 -2,-0.5 2,-0.4 -0.972 5.4-167.7-119.4 131.4 16.3 1.2 12.1 94 94 A V E -bd 11 33A 0 -84,-2.1 -82,-1.3 -2,-0.4 2,-0.3 -0.957 15.7-179.7-114.1 133.4 14.4 2.9 9.3 95 95 A H E +bd 12 34A 0 -62,-2.5 -60,-2.5 -2,-0.4 -82,-0.2 -0.989 19.7 168.3-142.2 151.4 15.5 2.3 5.7 96 96 A S - 0 0 0 -84,-1.6 -61,-0.0 -2,-0.3 -27,-0.0 -0.148 58.6 -79.2-122.7-140.6 14.7 3.2 2.1 97 97 A V S S+ 0 0 47 -84,-0.2 -83,-2.1 -2,-0.1 -1,-0.0 0.853 127.2 19.3 -96.5 -52.2 16.8 2.5 -1.0 98 98 A G S S- 0 0 22 -85,-0.2 -85,-0.3 -86,-0.1 65,-0.1 0.661 95.4-130.0 -91.6 -16.9 19.4 5.3 -0.6 99 99 A G S S+ 0 0 1 -87,-0.3 -86,-0.1 1,-0.0 34,-0.1 0.679 88.3 82.4 75.0 19.3 18.8 6.0 3.1 100 100 A I S S+ 0 0 29 3,-0.1 34,-2.3 33,-0.1 4,-0.4 0.767 86.2 31.9-119.0 -52.7 18.5 9.7 2.3 101 101 A G S > S+ 0 0 0 32,-0.2 4,-2.3 33,-0.2 5,-0.2 0.991 126.8 22.2 -77.2 -77.1 15.0 10.8 1.1 102 102 A R H > S+ 0 0 3 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.897 128.7 50.0 -61.0 -39.7 12.2 8.8 2.6 103 103 A T H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.933 110.5 47.6 -65.7 -46.5 14.4 7.7 5.5 104 104 A G H > S+ 0 0 0 -4,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.887 111.5 53.3 -61.7 -37.4 15.5 11.3 6.3 105 105 A T H X S+ 0 0 2 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.931 111.5 43.4 -64.0 -47.0 11.9 12.4 6.1 106 106 A I H X S+ 0 0 2 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.936 115.1 49.0 -65.7 -46.0 10.6 9.8 8.6 107 107 A L H X S+ 0 0 2 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.921 112.3 48.5 -60.2 -43.6 13.5 10.4 11.0 108 108 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.917 110.6 50.4 -62.4 -43.7 13.0 14.1 10.9 109 109 A S H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.896 107.3 56.3 -61.0 -38.4 9.3 13.8 11.5 110 110 A Y H X S+ 0 0 20 -4,-2.4 4,-2.6 1,-0.2 5,-0.3 0.910 109.3 44.7 -58.9 -45.4 10.1 11.5 14.4 111 111 A L H X S+ 0 0 1 -4,-1.9 4,-2.3 2,-0.2 6,-1.0 0.859 108.9 57.3 -68.7 -36.7 12.3 14.2 16.0 112 112 A I H X S+ 0 0 0 -4,-2.3 4,-0.8 4,-0.2 -2,-0.2 0.945 115.4 36.5 -59.0 -47.2 9.6 16.9 15.3 113 113 A L H < S+ 0 0 9 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.918 124.7 36.9 -74.3 -45.2 7.1 14.9 17.3 114 114 A T H < S+ 0 0 55 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.805 129.2 29.4 -80.8 -30.0 9.2 13.5 20.1 115 115 A E H < S- 0 0 85 -4,-2.3 -3,-0.2 -5,-0.3 -1,-0.2 0.414 99.4-122.7-111.2 1.8 11.5 16.4 20.7 116 116 A G < + 0 0 45 -4,-0.8 -4,-0.2 -5,-0.3 2,-0.2 0.802 54.7 160.0 62.6 31.4 9.3 19.3 19.7 117 117 A L - 0 0 40 -6,-1.0 -1,-0.2 1,-0.1 2,-0.1 -0.485 42.0-115.4 -85.4 154.8 11.8 20.5 17.1 118 118 A E > - 0 0 123 -2,-0.2 4,-2.7 1,-0.1 5,-0.2 -0.450 36.8-102.9 -79.9 162.3 11.0 22.8 14.2 119 119 A V H > S+ 0 0 12 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.903 122.5 53.5 -52.4 -45.5 11.4 21.3 10.7 120 120 A E H > S+ 0 0 126 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.907 112.0 43.6 -57.7 -46.3 14.7 23.2 10.2 121 121 A S H > S+ 0 0 43 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.895 112.5 53.0 -66.9 -42.5 16.1 21.8 13.4 122 122 A A H X S+ 0 0 0 -4,-2.7 4,-1.5 2,-0.2 -2,-0.2 0.913 112.4 43.1 -60.5 -46.3 14.9 18.3 12.8 123 123 A I H X S+ 0 0 22 -4,-2.6 4,-3.1 -5,-0.2 -1,-0.2 0.886 111.6 56.5 -67.6 -37.0 16.4 18.1 9.3 124 124 A D H X S+ 0 0 80 -4,-1.9 4,-1.1 -5,-0.3 -2,-0.2 0.936 106.1 50.2 -56.2 -50.3 19.6 19.7 10.8 125 125 A E H < S+ 0 0 63 -4,-2.6 4,-0.4 1,-0.2 -1,-0.2 0.839 114.0 44.5 -58.3 -37.9 19.8 16.9 13.3 126 126 A V H >X S+ 0 0 0 -4,-1.5 4,-2.2 1,-0.2 3,-1.3 0.903 108.9 55.1 -76.8 -40.6 19.5 14.3 10.6 127 127 A R H 3< S+ 0 0 114 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.672 92.0 73.7 -67.6 -14.1 21.9 15.9 8.2 128 128 A L T 3< S+ 0 0 125 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.860 117.3 18.7 -65.4 -33.7 24.6 15.9 10.8 129 129 A V T <4 S+ 0 0 67 -3,-1.3 -2,-0.2 -4,-0.4 -1,-0.2 0.584 136.3 39.2-110.3 -17.3 24.9 12.1 10.3 130 130 A R S >< S- 0 0 64 -4,-2.2 3,-1.8 -5,-0.1 -1,-0.2 -0.725 80.9-147.1-137.1 86.4 23.3 11.8 6.9 131 131 A P T 3 S+ 0 0 83 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.186 83.1 18.8 -53.0 138.0 24.1 14.7 4.5 132 132 A G T 3 S+ 0 0 39 1,-0.2 -28,-0.1 -5,-0.1 -5,-0.1 0.497 81.4 169.1 79.6 3.4 21.4 15.6 2.1 133 133 A A < + 0 0 0 -3,-1.8 -32,-0.2 -10,-0.1 -1,-0.2 -0.219 56.6 34.8 -51.1 137.6 18.6 13.9 4.2 134 134 A V - 0 0 10 -34,-2.3 -33,-0.2 -33,-0.1 -32,-0.1 0.817 67.0-175.4 76.8 106.8 15.2 14.9 2.8 135 135 A Q + 0 0 73 1,-0.0 2,-0.2 0, 0.0 -34,-0.1 0.812 47.2 55.4-102.3 -38.3 15.2 15.3 -1.0 136 136 A T S > S- 0 0 34 -65,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.618 71.2-120.4-109.5 164.2 11.9 16.6 -2.4 137 137 A Y H > S+ 0 0 185 1,-0.2 4,-3.4 2,-0.2 5,-0.2 0.899 115.6 53.3 -61.3 -42.8 9.4 19.4 -2.0 138 138 A E H > S+ 0 0 108 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.897 109.2 48.7 -62.2 -37.5 6.7 16.9 -1.1 139 139 A Q H > S+ 0 0 0 -69,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.912 114.0 46.0 -67.9 -40.2 8.9 15.5 1.6 140 140 A E H X S+ 0 0 99 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.917 112.7 50.2 -66.8 -43.1 9.6 19.0 2.9 141 141 A M H X S+ 0 0 113 -4,-3.4 4,-2.3 1,-0.2 -2,-0.2 0.859 107.3 55.0 -63.6 -36.0 5.9 20.0 2.7 142 142 A F H X S+ 0 0 8 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.915 107.6 49.5 -62.6 -44.4 5.0 16.8 4.6 143 143 A L H X S+ 0 0 0 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.920 110.9 48.6 -61.7 -45.1 7.4 17.8 7.5 144 144 A L H X S+ 0 0 83 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.911 111.8 51.0 -60.6 -42.1 5.9 21.3 7.7 145 145 A R H X S+ 0 0 91 -4,-2.3 4,-0.8 2,-0.2 -2,-0.2 0.905 110.4 48.4 -61.9 -43.3 2.5 19.8 7.7 146 146 A V H >< S+ 0 0 0 -4,-2.6 3,-0.8 1,-0.2 7,-0.2 0.923 111.6 49.3 -65.0 -44.0 3.5 17.4 10.6 147 147 A E H >< S+ 0 0 56 -4,-2.8 3,-1.5 1,-0.2 4,-0.2 0.915 108.0 54.6 -60.8 -43.3 5.0 20.3 12.6 148 148 A G H 3< S+ 0 0 67 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.678 117.7 35.4 -65.3 -18.3 1.9 22.4 12.1 149 149 A M T S+ 0 0 49 -3,-1.5 4,-3.3 1,-0.2 5,-0.3 0.920 75.0 50.1 -51.4 -50.6 2.0 18.2 16.1 151 151 A K H > S+ 0 0 166 1,-0.2 4,-2.6 -4,-0.2 -1,-0.2 0.928 111.2 48.3 -54.9 -49.6 -0.7 18.3 18.8 152 152 A S H > S+ 0 0 60 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.870 114.8 46.7 -60.4 -37.8 -3.2 16.5 16.6 153 153 A W H X S+ 0 0 17 -4,-2.4 4,-2.3 -7,-0.2 -2,-0.2 0.926 112.3 47.5 -72.4 -44.4 -0.5 13.9 15.8 154 154 A L H X S+ 0 0 40 -4,-3.3 4,-2.6 1,-0.2 -2,-0.2 0.905 109.7 55.9 -62.1 -39.0 0.7 13.4 19.3 155 155 A K H < S+ 0 0 171 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.903 112.9 40.3 -58.7 -43.8 -3.0 13.1 20.4 156 156 A N H < S+ 0 0 94 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.788 115.4 51.2 -77.0 -29.6 -3.6 10.3 17.8 157 157 A I H < 0 0 9 -4,-2.3 -2,-0.2 -5,-0.1 -3,-0.2 0.867 360.0 360.0 -76.7 -38.2 -0.3 8.5 18.5 158 158 A Y < 0 0 172 -4,-2.6 -75,-0.0 -5,-0.2 0, 0.0 -0.403 360.0 360.0-101.3 360.0 -0.6 8.3 22.2 159 !* 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 0.0 160 171 B N 0 0 75 0, 0.0 -59,-0.1 0, 0.0 -90,-0.0 0.000 360.0 360.0 360.0-169.8 15.4 8.7 -5.7 161 172 B K + 0 0 192 1,-0.1 2,-0.2 2,-0.0 3,-0.1 0.955 360.0 174.0 54.3 59.8 18.5 9.6 -7.9 162 173 B X + 0 0 69 1,-0.1 -1,-0.1 2,-0.0 -64,-0.0 -0.567 32.7 84.9 -98.5 162.2 21.0 7.8 -5.8 163 174 B G 0 0 75 -2,-0.2 -1,-0.1 -65,-0.1 -2,-0.0 0.619 360.0 360.0 125.6 21.5 24.7 7.1 -6.3 164 175 B N 0 0 215 -3,-0.1 -1,-0.0 0, 0.0 -2,-0.0 -0.127 360.0 360.0 -57.7 360.0 26.8 10.1 -5.1