==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 08-APR-11 3RGI . COMPND 2 MOLECULE: DISD PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SORANGIUM CELLULOSUM; . AUTHOR C.KHOSLA,I.I.MATHEWS,F.T.WONG,X.JIN . 282 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12401.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 210 74.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 23 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 17 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 109 38.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.8 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 4 1 1 0 1 3 0 1 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 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 0 0 0 PARALLEL BRIDGES PER LADDER . 1 0 0 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 97 0, 0.0 258,-2.2 0, 0.0 259,-2.1 0.000 360.0 360.0 360.0 167.6 30.0 11.7 30.6 2 2 A K E -a 260 0A 22 256,-0.2 78,-2.7 257,-0.2 79,-1.5 -0.939 360.0-168.3-127.2 142.1 32.0 13.0 27.6 3 3 A A E -ab 261 81A 0 257,-2.5 259,-2.6 -2,-0.3 2,-0.4 -0.977 14.6-142.0-126.4 140.6 31.5 15.9 25.2 4 4 A Y E -ab 262 82A 1 77,-1.9 79,-2.1 -2,-0.4 2,-0.5 -0.865 14.5-157.2 -98.9 137.5 33.3 16.7 21.9 5 5 A M E -ab 263 83A 1 257,-2.4 259,-2.7 -2,-0.4 79,-0.2 -0.972 3.7-153.8-119.4 123.3 34.0 20.3 21.2 6 6 A F E - b 0 84A 0 77,-2.3 79,-2.7 -2,-0.5 82,-0.2 -0.870 15.6-132.3-108.9 121.3 34.6 21.4 17.6 7 7 A P - 0 0 1 0, 0.0 2,-0.1 0, 0.0 84,-0.1 -0.207 20.9-166.8 -74.0 162.5 36.8 24.5 16.8 8 8 A G > - 0 0 6 1,-0.3 3,-2.3 79,-0.1 4,-0.3 -0.393 42.7 -16.5-127.3-160.8 36.1 27.5 14.5 9 9 A Q T 3 S+ 0 0 66 1,-0.3 -1,-0.3 76,-0.2 43,-0.1 -0.175 121.0 32.5 -54.4 134.6 37.6 30.5 12.9 10 10 A G T 3 S+ 0 0 59 -3,-0.1 -1,-0.3 259,-0.0 42,-0.0 -0.035 100.7 82.2 105.2 -20.0 40.9 31.5 14.3 11 11 A S < + 0 0 11 -3,-2.3 -2,-0.2 256,-0.1 258,-0.1 0.584 65.9 107.0 -90.4 -11.3 42.0 28.0 15.2 12 12 A Q + 0 0 38 -4,-0.3 2,-0.3 39,-0.1 45,-0.0 -0.255 42.8 173.9 -65.4 154.8 43.2 27.0 11.8 13 13 A A > - 0 0 39 30,-0.1 3,-2.4 254,-0.0 -2,-0.0 -0.966 41.8 -90.4-157.0 147.4 47.0 26.6 11.0 14 14 A K T 3 S+ 0 0 143 -2,-0.3 30,-0.2 1,-0.3 29,-0.1 -0.333 116.1 34.7 -51.1 132.0 49.1 25.4 8.2 15 15 A G T > S+ 0 0 22 28,-2.8 3,-1.5 1,-0.3 -1,-0.3 0.187 83.1 148.9 98.8 -13.8 49.7 21.7 8.7 16 16 A M T < + 0 0 0 -3,-2.4 -1,-0.3 27,-0.5 -4,-0.0 -0.208 68.4 5.5 -53.4 136.2 46.2 21.0 10.2 17 17 A G T >> S+ 0 0 13 1,-0.1 3,-1.3 3,-0.1 4,-1.1 0.534 79.2 149.4 75.2 9.5 44.8 17.6 9.5 18 18 A R H <> S+ 0 0 143 -3,-1.5 4,-0.6 1,-0.3 3,-0.5 0.840 72.3 39.1 -51.5 -48.8 47.9 16.2 7.8 19 19 A A H 3> S+ 0 0 85 1,-0.2 4,-0.9 2,-0.1 -1,-0.3 0.692 107.2 67.2 -74.6 -16.8 47.5 12.5 8.8 20 20 A L H <> S+ 0 0 18 -3,-1.3 4,-1.2 1,-0.2 -1,-0.2 0.832 87.9 63.3 -74.4 -31.5 43.8 12.5 8.3 21 21 A F H < S+ 0 0 1 -4,-1.1 3,-0.4 -3,-0.5 7,-0.2 0.926 106.8 43.7 -64.9 -38.8 43.7 13.0 4.5 22 22 A D H < S+ 0 0 105 -4,-0.6 -1,-0.2 1,-0.2 -2,-0.2 0.786 111.0 55.5 -76.2 -24.9 45.5 9.7 3.9 23 23 A A H < S+ 0 0 63 -4,-0.9 -1,-0.2 1,-0.2 -2,-0.2 0.680 119.3 31.7 -73.6 -24.4 43.3 7.9 6.5 24 24 A F S X S+ 0 0 25 -4,-1.2 4,-2.1 -3,-0.4 -1,-0.2 -0.556 70.7 157.6-132.2 67.8 40.1 9.0 4.7 25 25 A P H > S+ 0 0 86 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.858 71.5 52.0 -73.5 -31.7 40.9 9.2 1.0 26 26 A A H > S+ 0 0 49 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.949 112.5 45.0 -65.9 -46.6 37.4 8.8 -0.4 27 27 A L H > S+ 0 0 34 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.889 111.8 53.8 -66.7 -36.5 36.0 11.7 1.8 28 28 A T H X S+ 0 0 11 -4,-2.1 4,-2.3 -7,-0.2 11,-0.3 0.949 110.3 46.2 -60.6 -47.3 39.0 13.8 0.9 29 29 A A H X S+ 0 0 58 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.883 111.8 51.8 -61.2 -40.1 38.4 13.3 -2.8 30 30 A R H X S+ 0 0 142 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.898 107.9 51.7 -68.2 -35.2 34.7 14.0 -2.4 31 31 A A H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 5,-0.3 0.936 107.6 52.5 -61.8 -45.0 35.5 17.3 -0.5 32 32 A D H X S+ 0 0 46 -4,-2.3 4,-2.5 1,-0.2 5,-0.4 0.879 108.4 52.5 -56.5 -37.4 37.8 18.3 -3.4 33 33 A G H < S+ 0 0 64 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.908 111.7 43.5 -67.0 -44.9 34.9 17.7 -5.7 34 34 A V H < S+ 0 0 46 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.910 121.9 40.0 -62.7 -44.2 32.5 19.9 -3.8 35 35 A L H < S- 0 0 12 -4,-2.7 -2,-0.2 2,-0.2 -3,-0.2 0.768 96.0-130.9 -83.2 -32.0 35.1 22.7 -3.3 36 36 A G S < S+ 0 0 69 -4,-2.5 2,-0.3 1,-0.3 -3,-0.1 0.549 79.8 65.3 87.1 9.7 36.9 22.8 -6.7 37 37 A Y S S- 0 0 49 -5,-0.4 2,-0.6 -6,-0.2 -1,-0.3 -0.933 95.5 -80.5-151.7 166.3 40.4 22.7 -5.2 38 38 A S > - 0 0 52 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 -0.677 28.5-164.8 -75.7 117.0 42.6 20.3 -3.1 39 39 A I H > S+ 0 0 0 -2,-0.6 4,-2.3 -11,-0.3 5,-0.2 0.863 89.8 56.9 -70.5 -34.4 41.8 20.4 0.5 40 40 A R H > S+ 0 0 81 2,-0.2 4,-2.9 1,-0.2 5,-0.4 0.940 108.5 46.1 -58.4 -48.1 45.0 18.6 1.4 41 41 A A H >>S+ 0 0 30 2,-0.2 4,-2.0 1,-0.2 5,-1.9 0.911 111.1 51.9 -65.7 -42.2 47.1 21.3 -0.3 42 42 A L H <5S+ 0 0 7 -4,-2.0 4,-0.4 3,-0.2 -1,-0.2 0.952 118.4 37.1 -56.7 -49.8 45.1 24.2 1.3 43 43 A C H <5S+ 0 0 0 -4,-2.3 -28,-2.8 1,-0.1 -27,-0.5 0.869 125.6 36.1 -72.8 -39.8 45.6 22.7 4.8 44 44 A Q H <5S+ 0 0 71 -4,-2.9 -3,-0.2 -30,-0.2 -2,-0.2 0.902 136.5 11.3 -82.7 -47.7 49.2 21.4 4.4 45 45 A D T <5S- 0 0 92 -4,-2.0 -3,-0.2 -5,-0.4 -2,-0.1 0.683 72.6-154.1-107.1 -26.7 50.9 24.0 2.2 46 46 A D > < + 0 0 28 -5,-1.9 3,-1.5 -4,-0.4 -4,-0.2 0.918 22.9 178.0 44.0 58.7 48.5 26.9 2.0 47 47 A P T 3 S+ 0 0 72 0, 0.0 -1,-0.1 0, 0.0 -5,-0.1 0.696 74.4 42.2 -71.2 -22.1 50.1 27.9 -1.4 48 48 A D T 3 S- 0 0 93 -6,-0.0 -2,-0.1 0, 0.0 -6,-0.0 0.284 109.3-120.4-100.7 6.4 47.8 30.9 -2.2 49 49 A Q S < S+ 0 0 142 -3,-1.5 3,-0.2 -4,-0.1 -3,-0.1 0.866 77.1 124.1 53.7 43.1 48.0 32.1 1.5 50 50 A R > + 0 0 63 1,-0.1 3,-2.0 2,-0.1 6,-0.4 0.426 29.1 100.6-115.9 5.9 44.2 31.9 1.8 51 51 A L T 3 S+ 0 0 5 1,-0.3 -1,-0.1 -9,-0.2 -39,-0.1 0.809 86.0 52.6 -60.1 -25.1 43.8 29.6 4.8 52 52 A S T 3 S+ 0 0 80 -3,-0.2 2,-0.6 4,-0.1 -1,-0.3 0.514 87.1 93.7 -89.3 -2.4 43.2 32.8 6.9 53 53 A Q S X> S- 0 0 88 -3,-2.0 3,-2.6 1,-0.1 4,-2.3 -0.823 79.2-134.2 -92.4 124.4 40.4 34.0 4.5 54 54 A T H 3> S+ 0 0 7 -2,-0.6 4,-2.2 1,-0.3 -1,-0.1 0.728 100.7 65.6 -56.9 -31.2 37.0 32.8 5.9 55 55 A Q H 34 S+ 0 0 64 1,-0.2 -1,-0.3 2,-0.2 58,-0.2 0.819 119.1 27.4 -59.3 -27.9 35.7 31.6 2.6 56 56 A F H <> S+ 0 0 25 -3,-2.6 4,-2.1 -6,-0.4 -2,-0.2 0.777 115.8 61.4 -99.4 -34.7 38.5 29.0 2.7 57 57 A T H X S+ 0 0 0 -4,-2.3 4,-2.7 -7,-0.3 5,-0.3 0.882 100.4 56.4 -57.7 -43.9 39.0 28.7 6.5 58 58 A Q H X S+ 0 0 3 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.938 109.0 42.0 -63.5 -49.4 35.5 27.4 6.9 59 59 A P H > S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 5,-0.3 0.905 114.5 54.3 -61.1 -39.1 35.7 24.4 4.6 60 60 A A H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.943 111.6 43.2 -57.2 -50.8 39.2 23.6 5.9 61 61 A L H X S+ 0 0 2 -4,-2.7 4,-2.9 2,-0.2 5,-0.2 0.900 112.9 52.9 -60.2 -44.9 37.9 23.5 9.5 62 62 A Y H X S+ 0 0 0 -4,-2.4 4,-2.3 -5,-0.3 -2,-0.2 0.937 112.4 44.0 -61.1 -45.6 34.8 21.6 8.6 63 63 A V H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 5,-0.3 0.956 116.6 45.2 -66.0 -46.8 36.8 18.9 6.8 64 64 A V H X S+ 0 0 1 -4,-2.6 4,-2.4 -5,-0.3 -2,-0.2 0.935 115.4 47.9 -63.9 -42.5 39.5 18.6 9.5 65 65 A N H X S+ 0 0 0 -4,-2.9 4,-2.0 -5,-0.2 -1,-0.2 0.892 113.3 48.7 -61.3 -43.4 36.9 18.6 12.2 66 66 A A H X S+ 0 0 1 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.931 114.2 43.4 -64.5 -49.7 34.8 15.9 10.4 67 67 A L H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.879 111.7 55.3 -66.3 -34.8 37.7 13.6 9.7 68 68 A S H X S+ 0 0 19 -4,-2.4 4,-2.1 -5,-0.3 -1,-0.2 0.914 109.4 48.0 -60.8 -40.3 38.9 14.1 13.3 69 69 A Y H X S+ 0 0 12 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.909 108.7 52.5 -64.6 -47.6 35.5 13.0 14.5 70 70 A L H X S+ 0 0 13 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.902 109.1 50.8 -62.0 -37.1 35.4 9.9 12.2 71 71 A K H X S+ 0 0 89 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.926 111.2 47.2 -62.8 -46.4 38.8 8.9 13.6 72 72 A R H X S+ 0 0 62 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.871 108.0 56.6 -62.4 -36.7 37.6 9.2 17.2 73 73 A R H < S+ 0 0 159 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.841 110.4 44.9 -63.4 -34.6 34.4 7.3 16.4 74 74 A E H < S+ 0 0 139 -4,-1.5 -1,-0.2 -3,-0.2 -2,-0.2 0.788 124.5 32.4 -72.3 -30.8 36.7 4.4 15.2 75 75 A E H < S+ 0 0 110 -4,-1.5 2,-0.3 -5,-0.1 -2,-0.2 0.597 114.6 38.6-111.0 -14.7 39.0 4.5 18.2 76 76 A E S < S- 0 0 75 -4,-2.3 -1,-0.0 -5,-0.1 0, 0.0 -0.903 87.2 -82.3-138.4 162.8 37.1 5.6 21.3 77 77 A A - 0 0 68 -2,-0.3 -2,-0.1 1,-0.1 -3,-0.0 -0.279 63.3 -87.8 -62.5 150.4 33.7 5.2 23.0 78 78 A P - 0 0 101 0, 0.0 -76,-0.2 0, 0.0 -1,-0.1 -0.262 42.1-113.3 -61.1 150.0 31.0 7.5 21.7 79 79 A P - 0 0 11 0, 0.0 -76,-0.2 0, 0.0 3,-0.1 -0.411 10.0-144.2 -77.1 157.2 30.5 11.0 23.1 80 80 A D S S+ 0 0 68 -78,-2.7 2,-0.3 1,-0.2 -77,-0.2 0.698 81.6 16.0 -89.8 -26.4 27.3 11.9 25.1 81 81 A F E -b 3 0A 11 -79,-1.5 -77,-1.9 135,-0.1 2,-0.3 -0.967 63.8-152.2-147.1 159.4 27.1 15.5 23.8 82 82 A L E +bc 4 218A 0 135,-2.1 137,-2.4 -2,-0.3 2,-0.3 -0.977 14.7 169.8-132.5 145.1 28.5 17.6 21.0 83 83 A A E -bc 5 219A 0 -79,-2.1 -77,-2.3 -2,-0.3 2,-0.4 -0.967 8.3-169.5-153.7 142.1 29.1 21.4 20.8 84 84 A G E -b 6 0A 0 135,-0.5 2,-0.8 -2,-0.3 5,-0.3 -0.981 26.0-117.6-135.8 150.5 30.9 23.5 18.2 85 85 A H > - 0 0 18 -79,-2.7 3,-2.3 -2,-0.4 2,-0.6 -0.741 68.5 -61.7 -94.7 107.4 32.1 27.1 18.1 86 86 A S T > S+ 0 0 13 -2,-0.8 3,-1.6 1,-0.3 4,-0.5 -0.424 142.5 23.0 60.0-102.9 30.4 29.1 15.3 87 87 A L T >> S+ 0 0 1 -2,-0.6 3,-2.0 1,-0.3 4,-0.7 0.909 120.1 67.8 -50.2 -40.7 31.6 27.2 12.2 88 88 A G H <> S+ 0 0 0 -3,-2.3 4,-2.1 1,-0.3 -1,-0.3 0.689 81.4 72.7 -56.0 -27.1 32.1 24.3 14.6 89 89 A E H <> S+ 0 0 2 -3,-1.6 4,-2.2 -5,-0.3 -1,-0.3 0.863 94.1 54.2 -57.3 -33.7 28.4 23.9 15.1 90 90 A F H <> S+ 0 0 0 -3,-2.0 4,-2.2 -4,-0.5 -1,-0.2 0.865 106.8 51.4 -68.6 -35.5 28.2 22.5 11.5 91 91 A S H X S+ 0 0 1 -4,-0.7 4,-2.3 2,-0.2 -2,-0.2 0.908 109.3 50.2 -62.3 -42.4 30.8 19.9 12.6 92 92 A A H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.898 109.7 50.0 -62.3 -44.4 28.7 19.0 15.6 93 93 A L H <>S+ 0 0 0 -4,-2.2 5,-2.5 2,-0.2 6,-0.5 0.905 109.9 51.0 -66.6 -38.9 25.6 18.6 13.5 94 94 A F H ><5S+ 0 0 24 -4,-2.2 3,-1.7 1,-0.2 -2,-0.2 0.948 109.5 50.3 -57.8 -45.1 27.5 16.3 11.1 95 95 A A H 3<5S+ 0 0 9 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.835 109.2 53.0 -62.1 -33.6 28.7 14.2 14.0 96 96 A A T 3<5S- 0 0 1 -4,-1.9 119,-2.8 -5,-0.1 -1,-0.3 0.412 116.2-114.3 -81.3 -1.9 25.0 14.0 15.2 97 97 A G T < 5S+ 0 0 26 -3,-1.7 -3,-0.2 -4,-0.3 -2,-0.1 0.733 75.1 133.8 74.4 19.5 23.8 12.8 11.8 98 98 A V S - 0 0 87 -2,-0.3 4,-2.4 -3,-0.1 5,-0.2 -0.249 42.0 -92.0 -88.1 179.5 25.9 13.9 5.8 101 101 A F H > S+ 0 0 7 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.926 122.3 42.3 -58.0 -51.7 29.4 14.9 5.1 102 102 A E H > S+ 0 0 65 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.835 112.0 54.4 -67.8 -33.6 28.9 16.5 1.7 103 103 A T H > S+ 0 0 42 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.956 109.6 47.2 -64.8 -47.7 25.7 18.3 2.6 104 104 A G H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.879 110.0 54.7 -58.6 -40.6 27.5 20.0 5.6 105 105 A L H X S+ 0 0 0 -4,-2.0 4,-2.5 -5,-0.2 -1,-0.2 0.913 106.7 50.0 -61.0 -43.4 30.4 20.9 3.3 106 106 A A H X S+ 0 0 25 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.891 110.6 50.9 -59.9 -40.5 28.0 22.6 0.9 107 107 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.917 113.2 43.5 -63.0 -45.6 26.5 24.5 3.7 108 108 A V H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.842 107.6 58.8 -73.6 -31.3 29.8 25.7 5.0 109 109 A K H X S+ 0 0 62 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.947 112.5 41.5 -55.7 -48.1 31.1 26.6 1.6 110 110 A K H X S+ 0 0 57 -4,-1.9 4,-2.9 2,-0.2 5,-0.2 0.925 112.6 53.5 -65.5 -44.4 28.1 29.0 1.2 111 111 A R H X S+ 0 0 2 -4,-2.4 4,-2.7 1,-0.2 5,-0.3 0.928 111.5 46.6 -55.1 -45.9 28.5 30.3 4.8 112 112 A G H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.889 111.2 50.6 -65.7 -43.3 32.1 31.1 4.1 113 113 A E H X S+ 0 0 71 -4,-2.1 4,-1.7 -58,-0.2 -2,-0.2 0.951 113.8 45.0 -57.9 -50.6 31.4 32.8 0.7 114 114 A L H X S+ 0 0 12 -4,-2.9 4,-0.9 1,-0.2 -2,-0.2 0.928 117.1 43.6 -62.8 -47.2 28.6 35.0 2.3 115 115 A M H < S+ 0 0 4 -4,-2.7 3,-0.4 -5,-0.2 -1,-0.2 0.871 113.0 53.3 -66.4 -38.2 30.7 35.9 5.4 116 116 A G H < S+ 0 0 21 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.794 108.6 50.3 -66.2 -29.4 33.8 36.5 3.2 117 117 A D H < S+ 0 0 120 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.642 86.4 109.1 -82.4 -17.9 31.9 38.9 0.9 118 118 A A < - 0 0 21 -4,-0.9 2,-0.4 -3,-0.4 77,-0.1 -0.280 53.5-160.7 -61.1 141.5 30.6 40.9 3.9 119 119 A R + 0 0 114 75,-0.2 69,-0.1 70,-0.1 -2,-0.1 -0.970 43.2 59.8-124.7 143.0 32.1 44.4 4.2 120 120 A G S S+ 0 0 35 67,-0.5 69,-2.1 -2,-0.4 42,-0.0 0.172 72.8 20.9 115.1 130.6 32.1 46.5 7.2 121 121 A G - 0 0 9 67,-0.3 -1,-0.3 68,-0.1 2,-0.3 0.058 51.7-125.8 88.3 174.7 33.4 46.4 10.7 122 122 A G E -E 161 0B 2 39,-2.8 39,-2.4 66,-0.1 2,-0.3 -0.849 11.7-127.1-152.2-175.4 35.9 44.6 12.8 123 123 A M E -E 160 0B 11 61,-0.4 61,-2.4 -2,-0.3 2,-0.4 -0.981 8.1-160.1-142.9 150.9 36.4 42.6 16.0 124 124 A A E -EF 159 183B 0 35,-2.2 35,-2.5 -2,-0.3 2,-0.5 -0.999 13.6-142.0-134.9 135.9 38.5 42.6 19.1 125 125 A A E -EF 158 182B 27 57,-2.6 57,-2.8 -2,-0.4 2,-0.4 -0.855 21.2-160.8 -95.0 131.4 39.2 39.8 21.6 126 126 A V E -EF 157 181B 3 31,-2.9 31,-1.8 -2,-0.5 2,-0.4 -0.923 7.2-167.3-118.0 130.3 39.3 40.9 25.2 127 127 A I E +EF 156 180B 53 53,-2.6 52,-1.9 -2,-0.4 53,-1.4 -0.982 68.1 27.1-118.4 132.1 41.0 39.0 28.1 128 128 A G S S+ 0 0 30 27,-2.7 2,-0.4 -2,-0.4 28,-0.2 0.313 93.6 93.7 109.3 -2.7 40.4 39.8 31.8 129 129 A L - 0 0 10 26,-0.7 -1,-0.3 -3,-0.1 -3,-0.1 -0.948 64.0-132.0-122.6 138.4 36.9 41.4 31.8 130 130 A D > - 0 0 92 -2,-0.4 4,-2.6 1,-0.1 5,-0.2 -0.315 35.0 -98.7 -81.8 166.6 33.6 39.8 32.4 131 131 A E H > S+ 0 0 62 1,-0.2 4,-2.8 23,-0.2 5,-0.2 0.899 122.2 49.9 -50.9 -47.5 30.5 40.4 30.2 132 132 A E H > S+ 0 0 128 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.897 110.3 49.7 -66.1 -35.0 29.0 43.0 32.5 133 133 A R H > S+ 0 0 81 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.922 111.0 50.6 -68.4 -41.7 32.2 45.0 32.7 134 134 A V H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.947 111.5 47.6 -56.8 -50.1 32.5 44.8 28.9 135 135 A R H X S+ 0 0 103 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.906 110.6 52.3 -59.2 -41.2 28.8 46.1 28.5 136 136 A E H X S+ 0 0 83 -4,-2.4 4,-2.9 -5,-0.2 -1,-0.2 0.921 108.9 49.8 -60.5 -45.5 29.5 48.9 31.0 137 137 A L H X S+ 0 0 5 -4,-2.3 4,-1.5 2,-0.2 6,-0.2 0.879 109.6 50.7 -62.0 -39.4 32.5 50.0 29.0 138 138 A L H <>S+ 0 0 15 -4,-2.2 5,-2.3 1,-0.2 -1,-0.2 0.934 115.4 43.2 -63.9 -45.8 30.6 50.1 25.7 139 139 A D H ><5S+ 0 0 131 -4,-2.3 3,-1.4 -5,-0.2 -2,-0.2 0.952 113.6 49.4 -63.9 -49.6 27.9 52.1 27.3 140 140 A Q H 3<5S+ 0 0 113 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.764 114.3 45.8 -64.7 -27.5 30.2 54.6 29.2 141 141 A N T 3<5S- 0 0 53 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.289 111.6-117.2-105.0 14.4 32.3 55.3 26.2 142 142 A G T < 5 + 0 0 39 -3,-1.4 2,-1.5 1,-0.2 -3,-0.2 0.820 55.9 156.7 63.9 29.5 29.4 55.8 23.8 143 143 A A > < + 0 0 6 -5,-2.3 3,-0.9 -6,-0.2 -1,-0.2 -0.629 4.5 162.5 -89.0 79.4 30.2 52.8 21.5 144 144 A T T 3 + 0 0 113 -2,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.534 66.4 57.6 -80.6 -6.6 26.7 52.4 20.1 145 145 A A T 3 S+ 0 0 23 -3,-0.1 17,-1.9 17,-0.1 2,-0.4 -0.019 85.3 97.4-114.6 30.8 27.7 50.3 17.1 146 146 A V E < -G 161 0B 10 -3,-0.9 2,-0.2 15,-0.2 15,-0.2 -0.986 49.3-173.0-123.7 129.4 29.5 47.5 19.0 147 147 A D E -G 160 0B 44 13,-3.1 13,-2.4 -2,-0.4 2,-0.7 -0.722 34.0-104.3-111.9 161.8 27.9 44.1 19.8 148 148 A I E +G 159 0B 6 -2,-0.2 11,-0.3 11,-0.2 3,-0.1 -0.811 38.6 176.7 -85.5 115.5 29.1 41.2 21.9 149 149 A A E + 0 0 0 9,-2.3 95,-2.5 -2,-0.7 2,-0.4 0.834 62.3 18.0 -88.1 -44.1 30.1 38.5 19.4 150 150 A N E -Gh 158 244B 18 8,-1.9 8,-2.3 93,-0.2 2,-0.6 -0.998 48.0-164.2-134.4 136.5 31.5 35.7 21.6 151 151 A L E +Gh 157 245B 16 93,-2.8 96,-2.7 -2,-0.4 95,-0.6 -0.911 31.2 161.2-109.1 95.8 31.1 34.9 25.3 152 152 A N E - 0 0 17 4,-2.0 5,-0.2 -2,-0.6 125,-0.2 0.772 57.8 -19.0 -97.2 -38.1 34.0 32.4 25.5 153 153 A S E > S-G 156 0B 5 3,-1.6 3,-1.3 123,-0.1 -1,-0.3 -0.941 79.3 -83.8-155.9 177.9 34.8 32.2 29.2 154 154 A P T 3 S+ 0 0 32 0, 0.0 -23,-0.2 0, 0.0 3,-0.0 0.768 132.3 29.3 -64.3 -18.7 34.2 34.2 32.3 155 155 A S T 3 S+ 0 0 23 -25,-0.1 -27,-2.7 1,-0.1 -26,-0.7 0.223 108.9 78.9-118.0 10.1 37.2 36.4 31.4 156 156 A Q E < +EG 127 153B 42 -3,-1.3 -4,-2.0 -29,-0.2 -3,-1.6 -0.956 50.0 160.3-131.7 112.5 37.2 36.1 27.6 157 157 A V E -EG 126 151B 2 -31,-1.8 -31,-2.9 -2,-0.5 2,-0.5 -0.985 24.9-150.5-132.0 137.6 34.8 38.1 25.4 158 158 A V E -EG 125 150B 8 -8,-2.3 -9,-2.3 -2,-0.4 -8,-1.9 -0.961 14.0-161.1-112.2 128.3 35.0 39.1 21.8 159 159 A I E -EG 124 148B 0 -35,-2.5 -35,-2.2 -2,-0.5 2,-0.3 -0.712 7.0-170.0-106.2 156.5 33.3 42.4 20.6 160 160 A S E +EG 123 147B 0 -13,-2.4 -13,-3.1 -2,-0.3 2,-0.3 -0.980 29.9 75.7-153.8 130.3 32.3 43.2 17.1 161 161 A G E S+EG 122 146B 0 -39,-2.4 -39,-2.8 -2,-0.3 -15,-0.2 -0.972 70.4 20.8 167.6-147.8 31.2 46.3 15.2 162 162 A A > - 0 0 14 -17,-1.9 4,-2.8 -2,-0.3 3,-0.2 -0.197 61.3-133.8 -56.3 130.6 32.3 49.6 13.7 163 163 A K H > S+ 0 0 132 1,-0.2 4,-2.4 2,-0.2 -1,-0.1 0.864 103.6 51.4 -56.4 -43.0 36.0 49.7 13.0 164 164 A D H > S+ 0 0 109 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.882 111.9 47.0 -62.7 -41.3 36.6 53.1 14.5 165 165 A E H > S+ 0 0 21 -3,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.934 110.2 52.3 -68.1 -46.7 34.8 52.1 17.8 166 166 A I H < S+ 0 0 2 -4,-2.8 4,-0.5 1,-0.2 -2,-0.2 0.910 113.5 46.5 -54.3 -43.2 36.8 48.9 18.0 167 167 A A H >< S+ 0 0 61 -4,-2.4 3,-1.1 -5,-0.2 4,-0.3 0.953 113.4 44.8 -63.6 -49.7 40.0 50.9 17.6 168 168 A R H >< S+ 0 0 112 -4,-2.6 3,-0.6 1,-0.2 -1,-0.2 0.713 101.6 67.8 -74.3 -18.4 39.2 53.6 20.1 169 169 A L T 3X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 5,-0.3 0.644 77.7 82.9 -74.7 -14.6 37.9 51.3 22.8 170 170 A Q H <> S+ 0 0 68 -3,-1.1 4,-2.7 -4,-0.5 5,-0.2 0.918 90.0 51.4 -55.3 -45.0 41.4 49.7 23.4 171 171 A V H <> S+ 0 0 109 -3,-0.6 4,-2.6 -4,-0.3 5,-0.2 0.967 113.5 40.1 -61.5 -54.6 42.4 52.6 25.7 172 172 A P H > S+ 0 0 25 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.849 115.5 52.9 -66.3 -31.6 39.4 52.5 28.1 173 173 A F H <>S+ 0 0 0 -4,-2.3 5,-2.4 2,-0.2 4,-0.5 0.934 112.4 44.0 -66.3 -42.6 39.3 48.7 28.1 174 174 A E H ><5S+ 0 0 91 -4,-2.7 3,-1.4 -5,-0.3 -1,-0.2 0.909 111.0 55.3 -65.5 -37.5 43.0 48.5 29.1 175 175 A A H 3<5S+ 0 0 88 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.812 104.9 54.2 -64.3 -28.4 42.4 51.2 31.7 176 176 A A T 3<5S- 0 0 26 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.563 133.3 -87.9 -80.8 -12.6 39.6 49.1 33.2 177 177 A G T < 5 + 0 0 44 -3,-1.4 2,-0.3 -4,-0.5 -3,-0.2 0.510 64.7 163.3 113.4 14.4 42.0 46.1 33.6 178 178 A A < - 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