==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIBIOTIC 26-JUL-04 1U53 . COMPND 2 MOLECULE: SECRETED PROTEIN ASP-2; . SOURCE 2 ORGANISM_SCIENTIFIC: NECATOR AMERICANUS; . AUTHOR O.A.ASOJO,G.GOUD,K.DHAR,A.LOUKAS,B.ZHAN,V.DEUMIC,S.LIU, . 193 1 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9351.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 123 63.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 13.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 12 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 48 24.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.6 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 1 1 1 0 0 0 0 1 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 PARALLEL BRIDGES PER LADDER . 3 1 0 0 0 0 1 1 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 1 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 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 E 0 0 163 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 126.4 -0.2 8.7 12.0 2 0 A F - 0 0 189 0, 0.0 52,-0.2 0, 0.0 2,-0.1 -0.943 360.0-153.7-140.0 107.0 3.3 10.2 11.9 3 1 A G - 0 0 59 -2,-0.4 3,-0.1 1,-0.1 51,-0.0 -0.434 21.0-116.0 -82.9 152.8 6.4 8.3 10.6 4 2 A a - 0 0 24 1,-0.2 -1,-0.1 -2,-0.1 7,-0.1 -0.431 46.5 -79.0 -80.5 163.8 9.9 9.0 11.7 5 3 A P - 0 0 78 0, 0.0 2,-2.0 0, 0.0 4,-0.2 -0.112 39.6-105.2 -62.4 160.3 12.5 10.2 9.1 6 4 A D S S+ 0 0 174 1,-0.2 4,-0.1 2,-0.1 -3,-0.0 -0.627 71.6 141.4 -84.1 74.7 14.4 8.0 6.6 7 5 A N S S- 0 0 35 -2,-2.0 -1,-0.2 2,-0.3 3,-0.1 0.219 78.3 -83.5-114.8 14.7 17.4 8.4 8.9 8 6 A G S S+ 0 0 38 1,-0.4 2,-0.4 -3,-0.1 -2,-0.1 0.151 98.2 111.2 102.2 -16.9 19.1 4.9 8.8 9 7 A M - 0 0 8 -4,-0.2 -1,-0.4 137,-0.1 -2,-0.3 -0.738 66.0-131.6 -85.7 135.9 16.9 3.4 11.5 10 8 A S > - 0 0 35 -2,-0.4 4,-2.2 1,-0.1 3,-0.2 -0.652 9.9-129.2 -92.8 151.3 14.5 0.7 10.0 11 9 A E H > S+ 0 0 89 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.866 111.4 58.1 -59.2 -35.0 10.8 0.5 10.7 12 10 A E H > S+ 0 0 126 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.909 107.7 45.6 -61.4 -40.8 11.4 -3.2 11.6 13 11 A A H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.873 111.4 51.5 -72.0 -37.1 13.8 -2.2 14.3 14 12 A R H X S+ 0 0 13 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.941 112.0 47.5 -64.2 -44.5 11.6 0.5 15.7 15 13 A Q H X S+ 0 0 100 -4,-2.7 4,-3.0 1,-0.2 5,-0.3 0.913 110.6 52.1 -62.3 -40.2 8.7 -2.0 15.9 16 14 A K H X S+ 0 0 65 -4,-2.4 4,-2.6 -5,-0.2 5,-0.3 0.943 110.1 48.2 -63.5 -44.6 11.0 -4.5 17.6 17 15 A F H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.955 116.0 42.5 -60.2 -49.3 12.1 -2.1 20.2 18 16 A L H X S+ 0 0 41 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.948 116.7 46.2 -66.9 -46.1 8.5 -0.9 21.0 19 17 A E H X S+ 0 0 120 -4,-3.0 4,-3.0 -5,-0.2 -1,-0.2 0.925 113.7 49.1 -62.8 -43.2 6.9 -4.4 20.9 20 18 A M H X S+ 0 0 23 -4,-2.6 4,-2.3 -5,-0.3 5,-0.3 0.901 111.8 49.7 -61.5 -44.7 9.7 -5.9 23.1 21 19 A H H X S+ 0 0 0 -4,-2.3 4,-2.7 -5,-0.3 -2,-0.2 0.957 115.3 41.7 -62.0 -46.0 9.4 -3.1 25.6 22 20 A N H X S+ 0 0 23 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.904 114.0 53.4 -69.5 -35.2 5.6 -3.4 25.9 23 21 A S H X S+ 0 0 76 -4,-3.0 4,-2.6 -5,-0.3 -1,-0.2 0.916 112.9 42.4 -59.0 -49.1 5.8 -7.2 25.9 24 22 A L H X S+ 0 0 29 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.891 111.9 53.7 -73.4 -38.8 8.3 -7.3 28.8 25 23 A R H X S+ 0 0 0 -4,-2.7 4,-2.7 -5,-0.3 -1,-0.2 0.905 110.9 49.4 -54.0 -41.7 6.5 -4.5 30.7 26 24 A S H X S+ 0 0 14 -4,-2.2 4,-2.5 2,-0.2 6,-0.2 0.947 107.8 52.0 -67.5 -46.1 3.4 -6.7 30.4 27 25 A S H <>S+ 0 0 23 -4,-2.6 5,-2.6 1,-0.2 6,-0.6 0.917 113.4 44.9 -53.3 -46.0 5.2 -9.8 31.6 28 26 A V H ><5S+ 0 0 0 -4,-2.5 3,-1.8 4,-0.2 5,-0.2 0.958 112.5 51.3 -62.5 -50.1 6.4 -8.0 34.7 29 27 A A H 3<5S+ 0 0 0 -4,-2.7 15,-1.3 1,-0.3 -2,-0.2 0.856 108.9 50.7 -58.6 -34.9 3.0 -6.4 35.3 30 28 A L T 3<5S- 0 0 45 -4,-2.5 -1,-0.3 158,-0.2 -2,-0.2 0.460 117.6-110.8 -84.1 -1.2 1.1 -9.7 35.1 31 29 A G T < 5S+ 0 0 17 -3,-1.8 -3,-0.2 -4,-0.3 -2,-0.1 0.714 85.3 118.9 82.6 22.0 3.5 -11.3 37.6 32 30 A Q < + 0 0 131 -5,-2.6 2,-0.6 -6,-0.2 -4,-0.2 0.390 40.5 101.6-104.4 0.8 5.1 -13.6 35.0 33 31 A A - 0 0 7 -6,-0.6 8,-3.1 8,-0.2 2,-0.1 -0.789 69.0-128.5 -98.1 119.9 8.8 -12.4 35.1 34 32 A K B -A 40 0A 114 -2,-0.6 2,-0.5 6,-0.3 6,-0.3 -0.334 19.9-153.4 -63.4 137.3 11.3 -14.5 37.0 35 33 A D > - 0 0 0 4,-2.7 3,-2.0 1,-0.1 75,-0.3 -0.944 15.0-142.1-115.0 128.7 13.4 -12.5 39.5 36 34 A G T 3 S+ 0 0 42 73,-2.6 74,-0.1 -2,-0.5 3,-0.1 0.688 102.1 66.4 -61.9 -17.1 16.9 -13.7 40.4 37 35 A A T 3 S- 0 0 51 72,-0.3 -1,-0.3 1,-0.3 2,-0.1 0.585 125.9 -77.3 -74.1 -14.3 16.2 -12.6 44.0 38 36 A G S < S+ 0 0 36 -3,-2.0 -1,-0.3 1,-0.4 77,-0.1 -0.190 92.8 13.8 124.6 145.1 13.6 -15.3 44.2 39 37 A G S S- 0 0 49 -3,-0.1 -4,-2.7 -2,-0.1 -1,-0.4 -0.235 101.1 -50.6 59.1-156.5 10.1 -15.9 42.9 40 38 A N B -A 34 0A 67 -6,-0.3 -6,-0.3 1,-0.1 3,-0.1 -0.740 62.5 -85.9-107.3 165.3 8.8 -13.5 40.3 41 39 A A - 0 0 5 -8,-3.1 -8,-0.2 -2,-0.3 -1,-0.1 -0.319 61.2 -94.1 -60.7 147.3 8.8 -9.7 40.1 42 40 A P - 0 0 12 0, 0.0 -11,-0.3 0, 0.0 -1,-0.1 -0.373 42.5 -96.2 -65.5 154.3 5.7 -8.3 41.8 43 41 A K - 0 0 87 -13,-0.2 132,-1.8 -12,-0.1 2,-0.4 -0.289 37.6-130.6 -66.2 151.0 2.5 -7.5 39.8 44 42 A A B -B 174 0B 0 -15,-1.3 134,-0.5 130,-0.3 3,-0.4 -0.904 7.6-154.4-112.0 133.6 2.1 -3.9 38.8 45 43 A A S S+ 0 0 1 128,-2.3 135,-2.4 -2,-0.4 136,-0.2 0.661 90.2 9.3 -80.8 -21.7 -1.1 -2.0 39.5 46 44 A K S S+ 0 0 57 127,-0.5 2,-0.5 133,-0.2 -1,-0.2 -0.237 71.2 171.3-158.1 52.5 -0.7 0.6 36.6 47 45 A M - 0 0 0 142,-0.5 144,-3.1 -3,-0.4 2,-0.2 -0.605 31.9-133.8 -72.0 123.6 2.1 -0.3 34.3 48 46 A K B -c 191 0C 42 90,-0.8 2,-0.3 -2,-0.5 144,-0.2 -0.509 8.9-116.9 -87.4 144.7 1.8 2.1 31.4 49 47 A T - 0 0 44 142,-2.9 2,-0.2 -2,-0.2 -1,-0.1 -0.571 30.7-132.1 -68.2 136.8 2.0 1.3 27.7 50 48 A M - 0 0 5 -2,-0.3 2,-0.3 -32,-0.2 92,-0.2 -0.598 14.9-156.6 -87.7 150.2 4.9 2.9 25.8 51 49 A A E -e 142 0D 56 90,-2.1 92,-2.1 -2,-0.2 2,-0.2 -0.950 25.5-108.8-119.8 151.7 4.5 4.7 22.5 52 50 A Y E -e 143 0D 51 -2,-0.3 2,-0.4 90,-0.2 92,-0.2 -0.501 31.9-163.7 -78.9 141.9 7.3 5.3 20.0 53 51 A D > - 0 0 28 90,-2.4 4,-2.2 -2,-0.2 3,-0.3 -0.957 15.1-157.4-135.3 116.5 8.5 8.9 19.8 54 52 A a H > S+ 0 0 20 -2,-0.4 4,-1.5 1,-0.2 -1,-0.1 0.759 94.7 56.6 -68.3 -27.2 10.6 10.1 16.8 55 53 A E H > S+ 0 0 132 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.864 106.7 48.6 -68.4 -37.5 12.0 13.1 18.7 56 54 A V H > S+ 0 0 8 -3,-0.3 4,-2.3 2,-0.2 88,-0.3 0.895 109.0 54.4 -67.0 -40.8 13.3 10.7 21.4 57 55 A E H X S+ 0 0 0 -4,-2.2 4,-3.1 86,-0.2 -2,-0.2 0.904 103.6 57.8 -56.7 -37.0 14.8 8.6 18.6 58 56 A K H X S+ 0 0 98 -4,-1.5 4,-1.8 1,-0.2 -2,-0.2 0.933 109.1 42.2 -63.0 -46.6 16.5 11.8 17.3 59 57 A T H X S+ 0 0 31 -4,-1.7 4,-1.2 2,-0.2 -1,-0.2 0.880 112.8 52.8 -71.4 -33.7 18.4 12.3 20.6 60 58 A A H >X S+ 0 0 0 -4,-2.3 4,-3.0 1,-0.2 3,-0.5 0.942 109.8 51.6 -60.3 -43.9 19.2 8.6 20.9 61 59 A M H 3X S+ 0 0 33 -4,-3.1 4,-3.2 1,-0.2 -2,-0.2 0.873 100.2 60.9 -53.8 -45.0 20.6 8.9 17.4 62 60 A N H 3< S+ 0 0 74 -4,-1.8 4,-0.3 2,-0.2 -1,-0.2 0.842 111.8 40.6 -56.8 -34.2 22.7 11.9 18.4 63 61 A N H X< S+ 0 0 7 -4,-1.2 3,-1.9 -3,-0.5 4,-0.5 0.960 115.1 49.3 -74.8 -57.2 24.5 9.6 20.9 64 62 A A H >< S+ 0 0 0 -4,-3.0 3,-1.8 1,-0.3 -2,-0.2 0.853 102.9 61.4 -50.7 -43.7 24.7 6.5 18.7 65 63 A K T 3< S+ 0 0 98 -4,-3.2 -1,-0.3 1,-0.3 -2,-0.1 0.695 92.4 65.7 -64.0 -20.4 26.2 8.4 15.7 66 64 A Q T < S- 0 0 113 -3,-1.9 -1,-0.3 -4,-0.3 -2,-0.2 0.679 95.0-143.0 -74.5 -15.4 29.3 9.4 17.7 67 65 A b < + 0 0 46 -3,-1.8 2,-0.4 -4,-0.5 85,-0.1 0.854 58.4 123.7 58.3 37.8 30.3 5.7 17.9 68 66 A V - 0 0 83 -5,-0.4 2,-1.4 2,-0.1 -1,-0.2 -1.000 67.0-127.0-123.6 125.3 31.6 6.0 21.5 69 67 A F + 0 0 97 -2,-0.4 2,-0.3 -3,-0.1 17,-0.1 -0.607 66.2 116.8 -74.3 94.7 30.1 3.6 24.0 70 68 A K - 0 0 137 -2,-1.4 -2,-0.1 -7,-0.0 2,-0.1 -0.962 67.6-104.9-162.2 140.2 29.1 6.2 26.6 71 69 A H - 0 0 80 -2,-0.3 2,-0.1 1,-0.1 86,-0.0 -0.403 43.0-117.5 -61.2 144.4 26.0 7.7 28.3 72 70 A S - 0 0 14 1,-0.1 -1,-0.1 -2,-0.1 5,-0.1 -0.448 27.7-103.4 -81.7 154.8 25.0 11.1 27.1 73 71 A Q > - 0 0 132 -2,-0.1 3,-2.3 1,-0.1 4,-0.3 -0.492 35.7-109.5 -76.1 150.1 25.0 14.1 29.3 74 72 A P G > S+ 0 0 85 0, 0.0 3,-1.7 0, 0.0 6,-0.3 0.803 116.3 58.7 -52.5 -38.7 21.6 15.2 30.5 75 73 A N G 3 S+ 0 0 125 1,-0.3 3,-0.4 2,-0.1 -2,-0.0 0.625 101.6 58.2 -68.6 -9.1 21.5 18.4 28.4 76 74 A Q G < S+ 0 0 106 -3,-2.3 -1,-0.3 1,-0.2 -14,-0.1 0.399 121.5 25.2 -97.8 1.7 21.9 16.2 25.3 77 75 A R S X S- 0 0 40 -3,-1.7 3,-2.4 -4,-0.3 -1,-0.2 -0.330 89.8-159.6-154.4 59.1 18.7 14.3 26.2 78 76 A K T 3 S- 0 0 148 -3,-0.4 -3,-0.1 1,-0.3 3,-0.1 -0.187 75.0 -0.2 -55.3 127.4 16.7 16.7 28.3 79 77 A G T 3 S+ 0 0 62 1,-0.2 84,-1.2 -5,-0.1 2,-0.3 0.608 110.8 114.8 77.9 11.7 14.1 15.1 30.4 80 78 A L < - 0 0 27 -3,-2.4 -1,-0.2 -6,-0.3 81,-0.2 -0.891 55.3-143.2-123.3 148.7 15.1 11.6 29.2 81 79 A G E -F 160 0D 5 79,-3.2 79,-1.6 -2,-0.3 2,-0.3 -0.383 24.1-152.2 -92.6 178.5 16.6 8.3 30.5 82 80 A E E -F 159 0D 12 77,-0.2 2,-0.4 -2,-0.1 77,-0.2 -0.967 18.7-169.9-159.7 136.1 18.9 6.2 28.5 83 81 A N E -F 158 0D 2 75,-2.3 75,-2.4 -2,-0.3 2,-0.3 -0.982 17.0-163.9-122.8 138.9 20.1 2.6 28.1 84 82 A I E +F 157 0D 10 -2,-0.4 2,-0.3 73,-0.2 73,-0.2 -0.898 10.1 174.0-124.9 154.1 23.1 1.7 25.9 85 83 A F E -F 156 0D 33 71,-2.2 71,-3.0 -2,-0.3 2,-0.3 -0.991 6.6-168.3-151.4 148.1 24.3 -1.6 24.4 86 84 A M E -F 155 0D 79 -2,-0.3 2,-0.3 69,-0.2 69,-0.2 -1.000 5.9-169.7-142.4 152.9 27.0 -2.8 22.0 87 85 A S E -F 154 0D 19 67,-2.0 67,-2.9 -2,-0.3 5,-0.1 -0.967 29.2-131.5-128.7 150.1 27.9 -5.9 20.1 88 86 A S S S+ 0 0 106 -2,-0.3 2,-1.6 65,-0.2 3,-0.1 0.612 88.3 94.7 -76.3 -9.2 31.2 -6.5 18.2 89 87 A D > - 0 0 77 1,-0.2 3,-2.0 65,-0.1 -1,-0.1 -0.647 58.9-176.4 -82.3 85.0 29.1 -7.7 15.2 90 88 A S T 3 S+ 0 0 30 -2,-1.6 -1,-0.2 1,-0.3 65,-0.1 0.805 76.5 46.1 -50.6 -43.6 29.2 -4.2 13.4 91 89 A G T 3 S+ 0 0 65 -3,-0.1 -1,-0.3 58,-0.1 3,-0.1 0.210 79.8 145.7 -94.9 16.1 27.0 -5.2 10.6 92 90 A M < - 0 0 14 -3,-2.0 5,-0.0 1,-0.1 -5,-0.0 -0.196 63.7 -94.9 -51.3 143.2 24.3 -6.9 12.6 93 91 A D > - 0 0 108 1,-0.1 4,-2.2 2,-0.1 5,-0.2 -0.357 35.9-127.8 -59.1 135.3 20.8 -6.6 11.2 94 92 A K H > S+ 0 0 65 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.827 106.7 49.6 -64.8 -31.2 19.3 -3.6 13.1 95 93 A A H > S+ 0 0 21 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.846 110.7 51.3 -74.2 -31.4 16.1 -5.4 14.3 96 94 A K H > S+ 0 0 92 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.899 109.6 50.2 -65.8 -40.5 18.3 -8.3 15.5 97 95 A A H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.907 108.1 53.7 -64.7 -37.2 20.4 -5.7 17.4 98 96 A A H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.903 110.0 47.7 -60.9 -41.9 17.2 -4.3 18.9 99 97 A E H X S+ 0 0 66 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.938 112.8 47.7 -65.5 -45.1 16.3 -7.8 20.1 100 98 A Q H X S+ 0 0 66 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.904 112.9 47.8 -65.9 -40.4 19.7 -8.4 21.6 101 99 A A H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 5,-0.2 0.944 111.9 48.9 -65.4 -43.3 19.8 -5.1 23.4 102 100 A S H X S+ 0 0 0 -4,-2.2 4,-2.5 -5,-0.2 5,-0.2 0.913 113.0 48.1 -67.4 -40.0 16.3 -5.4 24.9 103 101 A K H X S+ 0 0 122 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.889 111.3 50.3 -63.4 -41.9 17.1 -8.9 26.1 104 102 A A H < S+ 0 0 48 -4,-2.3 4,-0.4 2,-0.2 -2,-0.2 0.881 114.7 44.0 -65.5 -40.1 20.5 -7.9 27.7 105 103 A W H >< S+ 0 0 4 -4,-2.4 3,-1.2 -5,-0.2 27,-0.4 0.945 117.1 43.7 -68.1 -51.7 18.8 -5.0 29.5 106 104 A F H >< S+ 0 0 32 -4,-2.5 3,-1.8 -5,-0.2 4,-0.5 0.829 99.8 73.2 -65.3 -28.2 15.8 -6.9 30.7 107 105 A G T 3X S+ 0 0 28 -4,-2.1 4,-2.5 1,-0.3 -1,-0.2 0.656 75.0 81.6 -65.6 -14.2 18.0 -9.9 31.6 108 106 A E H <>>S+ 0 0 28 -3,-1.2 4,-2.2 -4,-0.4 5,-1.1 0.812 86.2 58.8 -55.1 -35.5 19.3 -8.0 34.7 109 107 A L H <>5S+ 0 0 1 -3,-1.8 -73,-2.6 -4,-0.2 4,-1.0 0.969 112.8 35.9 -64.5 -50.6 16.2 -9.0 36.6 110 108 A A H 45S+ 0 0 59 -4,-0.5 -2,-0.2 -75,-0.3 -1,-0.2 0.858 125.6 39.5 -70.9 -38.4 16.8 -12.7 36.2 111 109 A E H <5S+ 0 0 145 -4,-2.5 -3,-0.2 1,-0.1 -2,-0.2 0.911 130.4 21.3 -78.3 -46.5 20.6 -12.6 36.5 112 110 A K H <5S- 0 0 86 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.1 0.713 99.8-134.0 -95.1 -30.7 21.2 -10.0 39.2 113 111 A G << - 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