==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 19-FEB-04 1VJG . COMPND 2 MOLECULE: PUTATIVE LIPASE FROM THE G-D-S-L FAMILY; . SOURCE 2 ORGANISM_SCIENTIFIC: NOSTOC SP.; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 201 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9940.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 144 71.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 12.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 2 1.0 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 . 10 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 76 37.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.0 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 3 0 0 1 0 0 0 0 2 1 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 1 0 0 1 0 1 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 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 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 5 A S 0 0 179 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 125.7 -8.6 43.0 43.9 2 6 A K - 0 0 123 1,-0.1 2,-0.4 37,-0.1 37,-0.2 -0.235 360.0-108.7 -87.0 151.4 -7.5 41.4 40.6 3 7 A T E -a 39 0A 75 35,-0.6 37,-2.5 1,-0.0 2,-0.3 -0.593 34.7-132.0 -72.2 128.3 -4.3 39.5 39.6 4 8 A Q E +a 40 0A 91 -2,-0.4 69,-0.6 35,-0.2 2,-0.4 -0.639 26.0 179.8 -86.4 132.7 -2.0 41.5 37.4 5 9 A I E -ab 41 73A 3 35,-1.9 37,-2.9 -2,-0.3 2,-0.5 -0.991 13.3-156.5-129.4 131.5 -0.7 39.9 34.2 6 10 A R E -ab 42 74A 48 67,-2.8 69,-1.7 -2,-0.4 2,-0.4 -0.910 14.8-173.2-105.2 126.8 1.6 41.6 31.8 7 11 A I E -ab 43 75A 0 35,-2.5 37,-2.6 -2,-0.5 2,-0.5 -0.983 11.9-162.4-124.9 124.4 1.7 40.3 28.2 8 12 A C E -ab 44 76A 0 67,-2.3 69,-2.6 -2,-0.4 2,-0.6 -0.931 6.5-159.9-100.8 130.8 3.9 41.2 25.3 9 13 A F E -ab 45 77A 0 35,-2.2 37,-3.0 -2,-0.5 2,-0.5 -0.955 13.2-169.0-109.5 117.1 2.7 40.2 21.8 10 14 A V E +ab 46 78A 0 67,-3.1 69,-2.2 -2,-0.6 2,-0.3 -0.926 34.8 71.1-116.5 129.9 5.6 40.1 19.4 11 15 A G E S-ab 47 79A 0 35,-0.9 37,-1.9 -2,-0.5 69,-0.2 -0.921 70.2 -50.2 169.0-146.4 5.3 39.9 15.6 12 16 A D S >> S- 0 0 4 67,-0.8 4,-2.2 -2,-0.3 3,-0.6 -0.023 78.2 -51.3-111.5-151.8 4.2 41.6 12.4 13 17 A S H 3>>S+ 0 0 7 35,-0.3 5,-1.7 1,-0.2 4,-1.5 0.803 130.2 57.8 -67.3 -28.8 1.2 43.5 11.1 14 18 A F H 345S+ 0 0 5 2,-0.2 12,-0.5 1,-0.2 -1,-0.2 0.884 108.5 46.5 -68.2 -33.2 -1.2 40.8 12.2 15 19 A V H <45S+ 0 0 1 -3,-0.6 12,-0.3 64,-0.2 -2,-0.2 0.900 111.1 52.2 -68.9 -41.4 -0.0 41.1 15.7 16 20 A N H <5S- 0 0 71 -4,-2.2 -2,-0.2 30,-0.1 -1,-0.2 0.774 110.8-127.0 -62.6 -26.6 -0.3 45.0 15.4 17 21 A G T ><5 - 0 0 5 -4,-1.5 3,-2.2 -5,-0.2 8,-0.4 0.741 36.4-174.6 83.1 25.3 -3.9 44.5 14.2 18 22 A T T 3 < + 0 0 14 -5,-1.7 -1,-0.2 1,-0.3 -2,-0.0 -0.199 68.4 29.2 -54.0 135.4 -3.4 46.6 11.0 19 23 A G T 3 S+ 0 0 28 1,-0.3 -1,-0.3 159,-0.1 162,-0.2 0.121 86.2 120.8 94.7 -21.4 -6.7 47.0 9.2 20 24 A D X - 0 0 9 -3,-2.2 3,-1.2 160,-0.2 -1,-0.3 -0.706 48.9-160.5 -79.7 117.6 -8.9 46.8 12.4 21 25 A P T 3 S+ 0 0 91 0, 0.0 -1,-0.2 0, 0.0 159,-0.0 0.677 91.8 60.1 -70.9 -17.3 -10.9 50.1 12.6 22 26 A E T 3 S- 0 0 119 -3,-0.0 -2,-0.1 3,-0.0 158,-0.0 0.426 105.0-132.3 -87.9 -3.3 -11.4 49.4 16.3 23 27 A C S < S+ 0 0 112 -3,-1.2 -5,-0.1 -6,-0.2 -6,-0.0 0.730 80.2 98.1 62.8 28.1 -7.6 49.4 16.9 24 28 A L > - 0 0 55 -7,-0.1 4,-2.5 1,-0.1 5,-0.2 0.679 55.1-173.4-108.5 -32.1 -7.6 46.2 18.9 25 29 A G H > - 0 0 0 -8,-0.4 4,-1.0 1,-0.2 -10,-0.1 -0.203 59.9 -58.6 56.8-158.4 -6.6 43.4 16.4 26 30 A W H > S+ 0 0 0 -12,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.827 138.4 59.4 -80.4 -30.1 -6.8 39.9 17.9 27 31 A T H > S+ 0 0 0 -12,-0.3 4,-1.6 1,-0.2 -2,-0.2 0.927 105.7 47.6 -66.9 -43.0 -4.3 40.7 20.7 28 32 A G H X S+ 0 0 2 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.906 111.2 51.2 -61.7 -46.2 -6.5 43.5 22.1 29 33 A R H X S+ 0 0 27 -4,-1.0 4,-2.0 1,-0.2 -2,-0.2 0.892 108.4 49.8 -63.8 -40.7 -9.6 41.3 22.0 30 34 A V H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.864 110.8 51.6 -68.0 -27.1 -8.0 38.4 23.8 31 35 A C H X S+ 0 0 5 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.916 107.6 51.8 -73.9 -38.8 -6.8 40.9 26.5 32 36 A V H X S+ 0 0 57 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.890 110.1 50.0 -57.4 -43.9 -10.3 42.2 26.9 33 37 A N H X S+ 0 0 43 -4,-2.0 4,-1.0 2,-0.2 3,-0.3 0.894 108.5 51.6 -59.7 -44.1 -11.5 38.6 27.4 34 38 A A H <>S+ 0 0 1 -4,-1.9 5,-1.7 1,-0.2 3,-0.5 0.899 106.2 55.4 -67.4 -37.5 -8.8 38.0 30.0 35 39 A N H ><5S+ 0 0 69 -4,-2.3 3,-1.2 1,-0.2 -1,-0.2 0.820 104.0 54.1 -56.1 -38.5 -10.0 41.1 31.8 36 40 A K H 3<5S+ 0 0 168 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.699 99.6 62.0 -73.5 -20.1 -13.6 39.6 31.9 37 41 A K T 3<5S- 0 0 116 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.303 130.0 -95.8 -82.9 8.2 -12.1 36.5 33.6 38 42 A G T < 5S+ 0 0 39 -3,-1.2 -35,-0.6 1,-0.3 2,-0.2 0.534 84.8 125.4 92.6 8.7 -11.0 38.8 36.5 39 43 A Y E < -a 3 0A 60 -5,-1.7 2,-0.6 -37,-0.2 -1,-0.3 -0.564 57.6-135.2 -87.5 160.6 -7.4 39.5 35.6 40 44 A D E -a 4 0A 59 -37,-2.5 -35,-1.9 -2,-0.2 2,-0.4 -0.932 32.4-159.6-114.3 100.2 -6.0 43.0 35.2 41 45 A V E -a 5 0A 16 -2,-0.6 2,-0.7 -10,-0.2 -35,-0.2 -0.658 18.0-153.9 -93.8 129.0 -4.0 42.8 32.0 42 46 A T E -a 6 0A 38 -37,-2.9 -35,-2.5 -2,-0.4 2,-0.6 -0.942 22.9-152.8 -95.1 115.7 -1.3 45.1 31.0 43 47 A Y E -a 7 0A 78 -2,-0.7 2,-0.6 -37,-0.2 -35,-0.2 -0.819 17.5-179.9 -97.1 110.3 -1.3 44.9 27.2 44 48 A Y E -a 8 0A 69 -37,-2.6 -35,-2.2 -2,-0.6 2,-0.7 -0.943 9.9-162.8-110.7 111.2 2.0 45.5 25.3 45 49 A N E +a 9 0A 46 -2,-0.6 -35,-0.1 -37,-0.2 -37,-0.1 -0.871 14.8 172.5 -96.5 116.1 1.6 45.2 21.6 46 50 A L E +a 10 0A 14 -37,-3.0 -35,-0.9 -2,-0.7 2,-0.3 -0.086 29.4 134.8-112.5 32.5 5.1 44.8 20.0 47 51 A G E -a 11 0A 11 -37,-0.2 2,-0.4 -32,-0.2 -35,-0.3 -0.595 33.4-168.2 -76.4 139.5 3.9 44.1 16.4 48 52 A I > - 0 0 70 -37,-1.9 3,-1.9 -2,-0.3 -35,-0.3 -0.995 28.1-109.5-130.2 127.3 5.7 46.0 13.6 49 53 A R T 3 S+ 0 0 151 -2,-0.4 -37,-0.0 -37,-0.3 -38,-0.0 -0.267 100.2 10.5 -50.9 134.1 4.4 46.0 10.0 50 54 A R T 3 S+ 0 0 133 1,-0.2 -1,-0.2 0, 0.0 -38,-0.1 0.352 87.0 155.2 77.8 1.2 6.6 44.0 7.6 51 55 A D < - 0 0 15 -3,-1.9 32,-0.4 -40,-0.1 30,-0.4 -0.344 23.7-163.4 -66.6 135.5 8.7 42.3 10.3 52 56 A T > - 0 0 5 31,-0.2 4,-2.1 28,-0.1 5,-0.2 -0.556 40.3 -95.4 -97.8 179.0 10.4 39.0 9.5 53 57 A S H > S+ 0 0 0 1,-0.2 4,-2.2 -2,-0.2 5,-0.1 0.787 126.6 55.9 -63.3 -32.1 11.8 36.4 11.9 54 58 A S H > S+ 0 0 19 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.889 107.4 47.2 -69.2 -42.3 15.2 38.0 11.3 55 59 A D H > S+ 0 0 53 2,-0.2 4,-1.1 1,-0.2 -2,-0.2 0.897 114.6 47.1 -61.4 -43.9 13.9 41.5 12.4 56 60 A I H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 3,-0.5 0.901 106.2 58.0 -67.6 -40.6 12.2 40.1 15.5 57 61 A A H < S+ 0 0 36 -4,-2.2 4,-0.3 1,-0.2 -1,-0.2 0.879 108.9 47.5 -54.5 -41.1 15.3 38.1 16.4 58 62 A K H < S+ 0 0 160 -4,-1.5 -1,-0.2 1,-0.1 -2,-0.2 0.773 124.7 24.2 -71.4 -30.5 17.3 41.4 16.5 59 63 A R H X S+ 0 0 24 -4,-1.1 4,-1.9 -3,-0.5 5,-0.2 0.679 94.9 85.2-111.3 -21.1 14.8 43.5 18.6 60 64 A W H X S+ 0 0 4 -4,-2.5 4,-3.0 1,-0.2 5,-0.3 0.852 88.0 50.1 -64.2 -42.4 12.6 41.3 20.8 61 65 A L H > S+ 0 0 57 -4,-0.3 4,-2.5 -5,-0.2 -1,-0.2 0.918 112.4 46.3 -65.0 -48.0 14.8 40.8 23.9 62 66 A Q H > S+ 0 0 133 -4,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.904 118.4 42.8 -61.5 -41.2 15.6 44.5 24.4 63 67 A E H >< S+ 0 0 55 -4,-1.9 3,-0.8 2,-0.2 4,-0.5 0.962 118.0 43.8 -70.9 -49.5 12.0 45.5 23.9 64 68 A V H >X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 3,-1.9 0.915 105.6 62.9 -64.9 -37.1 10.4 42.7 26.0 65 69 A S H 3< S+ 0 0 56 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.742 101.1 52.1 -59.3 -26.8 13.0 43.1 28.8 66 70 A L T << S+ 0 0 149 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.608 117.6 38.3 -82.2 -13.0 11.8 46.6 29.5 67 71 A R T <4 S+ 0 0 81 -3,-1.9 2,-0.3 -4,-0.5 -2,-0.2 0.765 109.7 53.2-109.9 -39.6 8.2 45.5 29.8 68 72 A L < + 0 0 4 -4,-2.4 2,-0.3 6,-0.0 6,-0.1 -0.745 59.6 179.6-106.1 148.0 8.2 42.1 31.6 69 73 A H > - 0 0 83 -2,-0.3 3,-1.9 3,-0.2 -63,-0.1 -0.996 39.3-119.9-150.5 147.7 9.8 41.2 34.9 70 74 A K T 3 S+ 0 0 192 -2,-0.3 4,-0.1 1,-0.3 -1,-0.0 0.660 108.0 68.1 -63.0 -13.8 10.1 38.2 37.1 71 75 A E T 3 S+ 0 0 156 2,-0.1 2,-0.3 0, 0.0 -1,-0.3 0.571 103.2 44.9 -85.4 -6.7 8.4 40.0 40.0 72 76 A Y S < S- 0 0 111 -3,-1.9 -3,-0.2 -66,-0.0 2,-0.2 -0.934 102.3 -89.1-128.0 154.8 5.0 40.1 38.1 73 77 A N E -b 5 0A 97 -69,-0.6 -67,-2.8 -2,-0.3 2,-0.3 -0.463 57.1-177.7 -64.2 131.6 3.1 37.5 36.1 74 78 A S E -b 6 0A 9 -69,-0.2 2,-0.3 -2,-0.2 -67,-0.2 -0.937 18.0-177.5-136.3 148.1 4.4 37.8 32.6 75 79 A L E -b 7 0A 1 -69,-1.7 -67,-2.3 -2,-0.3 2,-0.4 -0.978 10.1-157.9-147.2 137.8 3.7 36.1 29.2 76 80 A V E -bc 8 116A 0 39,-2.5 41,-1.7 -2,-0.3 2,-0.5 -0.975 8.7-168.5-116.8 131.5 5.3 36.5 25.8 77 81 A V E -bc 9 117A 3 -69,-2.6 -67,-3.1 -2,-0.4 2,-0.4 -0.986 4.9-162.8-117.5 123.5 3.4 35.5 22.7 78 82 A F E +bc 10 118A 0 39,-2.5 41,-2.9 -2,-0.5 2,-0.3 -0.872 14.2 168.3-106.0 142.1 5.1 35.3 19.3 79 83 A S E +bc 11 119A 5 -69,-2.2 -67,-0.8 -2,-0.4 2,-0.3 -0.889 24.2 118.3-151.2 117.0 3.5 35.2 15.8 80 84 A F + 0 0 1 39,-0.6 -28,-0.1 -2,-0.3 -2,-0.0 -0.967 14.5 102.3-161.5 171.8 5.4 35.7 12.6 81 85 A G > + 0 0 0 -30,-0.4 4,-1.4 -2,-0.3 3,-0.2 -0.035 60.3 96.1 135.7 -27.1 6.4 34.1 9.3 82 86 A L H > S+ 0 0 7 1,-0.2 4,-0.6 2,-0.2 3,-0.2 0.886 91.7 44.9 -56.0 -43.9 4.2 35.6 6.7 83 87 A N H 4 S+ 0 0 16 -32,-0.4 10,-0.4 1,-0.2 3,-0.2 0.767 104.5 61.9 -77.2 -24.0 6.9 38.2 5.8 84 88 A D H 4 S+ 0 0 1 1,-0.2 10,-2.0 -33,-0.2 9,-0.3 0.866 104.4 51.0 -57.6 -38.8 9.7 35.6 5.7 85 89 A T H < S+ 0 0 10 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.674 82.8 114.2 -81.3 -18.9 7.8 33.9 2.9 86 90 A T < - 0 0 23 -4,-0.6 7,-2.2 -3,-0.2 2,-0.4 -0.314 64.8-131.1 -56.8 130.3 7.4 37.0 0.7 87 91 A L E -E 92 0B 59 5,-0.2 2,-0.4 6,-0.1 3,-0.1 -0.730 25.0-179.9 -86.5 130.2 9.3 36.8 -2.5 88 92 A E E > S-E 91 0B 82 3,-2.6 3,-1.6 -2,-0.4 -2,-0.0 -0.999 80.7 -5.2-126.3 123.7 11.4 39.8 -3.5 89 93 A N T 3 S- 0 0 162 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.907 133.7 -58.4 54.2 40.1 13.3 39.5 -6.8 90 94 A G T 3 S+ 0 0 67 1,-0.1 -1,-0.3 -3,-0.1 -3,-0.1 0.516 121.3 100.0 70.3 7.1 11.9 35.9 -6.9 91 95 A K E < S-E 88 0B 91 -3,-1.6 -3,-2.6 -5,-0.0 -1,-0.1 -0.989 79.2-104.9-128.1 139.4 13.5 35.0 -3.6 92 96 A P E -E 87 0B 56 0, 0.0 -5,-0.2 0, 0.0 -7,-0.2 -0.212 25.5-126.1 -57.8 140.9 12.1 34.7 -0.1 93 97 A R S S+ 0 0 65 -7,-2.2 2,-0.3 -10,-0.4 -8,-0.2 0.849 102.5 18.3 -57.7 -36.8 13.0 37.6 2.2 94 98 A V S S- 0 0 8 -10,-2.0 -1,-0.2 -8,-0.2 -41,-0.0 -0.998 89.4-122.9-131.3 130.6 14.2 34.8 4.7 95 99 A S >> - 0 0 59 -2,-0.3 4,-2.7 -3,-0.1 3,-0.5 -0.368 26.8-114.9 -68.5 151.5 14.9 31.2 3.6 96 100 A I H 3> S+ 0 0 81 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.874 118.0 55.4 -57.3 -33.7 12.9 28.5 5.5 97 101 A A H 3> S+ 0 0 69 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.886 110.2 45.2 -66.9 -38.4 16.2 27.2 7.0 98 102 A E H <> S+ 0 0 84 -3,-0.5 4,-2.6 2,-0.2 -2,-0.2 0.917 109.8 54.1 -69.7 -44.9 16.9 30.7 8.4 99 103 A T H X S+ 0 0 1 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.915 110.7 47.1 -49.9 -48.7 13.4 31.2 9.7 100 104 A I H X S+ 0 0 33 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.908 112.2 49.4 -62.3 -48.4 13.7 27.9 11.6 101 105 A K H X S+ 0 0 153 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.854 112.9 48.0 -57.2 -38.7 17.1 28.8 13.0 102 106 A N H X S+ 0 0 21 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.908 110.9 50.6 -66.4 -43.8 15.7 32.2 14.1 103 107 A T H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 5,-0.3 0.921 111.1 48.2 -65.3 -47.1 12.7 30.6 15.7 104 108 A R H X S+ 0 0 93 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.920 113.6 46.8 -56.2 -48.7 14.8 28.2 17.6 105 109 A E H X S+ 0 0 77 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.913 114.9 46.7 -62.3 -42.1 17.1 31.0 18.8 106 110 A I H X S+ 0 0 2 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.959 118.2 40.3 -64.5 -50.9 14.2 33.2 19.8 107 111 A L H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.844 109.8 57.1 -70.7 -37.2 12.3 30.5 21.7 108 112 A T H X S+ 0 0 60 -4,-2.5 4,-0.8 -5,-0.3 -1,-0.2 0.930 114.7 41.4 -57.8 -42.8 15.3 28.9 23.4 109 113 A Q H X S+ 0 0 78 -4,-1.5 4,-0.6 -5,-0.2 3,-0.5 0.912 115.5 47.6 -71.2 -47.7 16.0 32.3 24.9 110 114 A A H >X S+ 0 0 0 -4,-2.6 4,-3.2 1,-0.2 3,-1.7 0.915 104.1 61.0 -62.8 -42.3 12.5 33.3 25.7 111 115 A K H 3< S+ 0 0 76 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.812 101.9 55.0 -52.6 -36.6 11.7 29.9 27.4 112 116 A K H 3< S+ 0 0 170 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.679 121.3 26.5 -69.0 -25.5 14.5 30.6 29.9 113 117 A L H << S+ 0 0 91 -3,-1.7 -2,-0.2 -4,-0.6 -3,-0.1 0.755 122.7 16.7-107.9 -37.9 13.0 34.0 31.0 114 118 A Y S < S- 0 0 26 -4,-3.2 -1,-0.3 -5,-0.2 2,-0.2 -0.930 77.3 -91.7-142.4 152.1 9.2 33.9 30.4 115 119 A P - 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