==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 30-NOV-12 4I71 . COMPND 2 MOLECULE: INOSINE-ADENOSINE-GUANOSINE-NUCLEOSIDE HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA BRUCEI BRUCEI; . AUTHOR F.GIANNESE,M.DEGANO . 324 3 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12651.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 244 75.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 10.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 3.1 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 . 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 . 30 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 14.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 102 31.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 5 1 1 0 1 0 2 4 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 1 2 1 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 PARALLEL BRIDGES PER LADDER . 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 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 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 -2 A G 0 0 106 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 12.7 13.5 -6.3 -2.0 2 -1 A S + 0 0 111 3,-0.0 0, 0.0 0, 0.0 0, 0.0 0.151 360.0 85.1 169.2 -12.5 11.3 -5.3 0.9 3 0 A H S S+ 0 0 130 2,-0.1 2,-0.4 28,-0.0 0, 0.0 0.364 70.1 90.0 -94.3 4.1 12.6 -7.6 3.7 4 1 A M S S- 0 0 149 27,-0.1 2,-0.1 1,-0.0 26,-0.1 -0.875 72.9-126.3-110.9 134.6 15.5 -5.3 4.8 5 2 A A - 0 0 29 -2,-0.4 2,-0.3 24,-0.1 27,-0.3 -0.387 20.1-116.2 -76.0 149.8 15.2 -2.7 7.5 6 3 A K E -a 32 0A 72 25,-2.8 27,-3.4 -2,-0.1 2,-0.5 -0.636 26.8-121.8 -80.1 141.8 16.1 1.0 7.1 7 4 A T E -a 33 0A 8 127,-0.5 129,-3.0 -2,-0.3 2,-0.4 -0.778 43.1-179.6 -84.4 123.2 19.0 2.3 9.4 8 5 A V E -ab 34 136A 0 25,-2.6 27,-2.5 -2,-0.5 28,-0.6 -0.968 25.8-163.6-133.5 142.2 17.5 5.1 11.5 9 6 A I E -ab 36 137A 0 127,-2.2 129,-3.0 -2,-0.4 2,-0.6 -0.990 17.0-144.6-117.3 135.4 18.7 7.6 14.1 10 7 A L E -ab 37 138A 0 26,-1.9 28,-2.7 -2,-0.4 2,-0.7 -0.919 11.2-170.9-101.8 120.9 16.1 9.5 16.2 11 8 A D E +ab 38 139A 0 127,-3.2 129,-2.6 -2,-0.6 130,-1.0 -0.925 30.3 158.6-111.4 98.6 17.1 13.1 17.1 12 9 A H E -a 39 0A 0 26,-2.6 28,-2.0 -2,-0.7 129,-0.1 -0.690 48.1-139.9-125.9 169.1 14.5 14.1 19.6 13 10 A D - 0 0 1 26,-0.2 26,-0.1 -2,-0.2 36,-0.1 0.072 49.3-110.6-127.3 26.8 13.7 16.5 22.5 14 11 A G + 0 0 0 1,-0.2 76,-0.2 35,-0.1 31,-0.2 0.618 62.9 139.4 72.3 21.6 11.9 14.3 24.9 15 12 A N S > S- 0 0 3 74,-0.1 4,-1.6 29,-0.1 3,-0.2 -0.399 70.7 -94.8 -85.0 174.8 8.2 15.4 25.0 16 13 A K H > S+ 0 0 16 1,-0.2 4,-1.8 2,-0.2 3,-0.3 0.919 127.5 52.9 -54.9 -44.5 5.5 12.7 25.2 17 14 A D H > S+ 0 0 2 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.847 102.4 58.2 -60.2 -40.5 5.1 12.8 21.5 18 15 A D H > S+ 0 0 1 -3,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.893 107.3 48.5 -56.1 -42.8 8.9 12.2 21.0 19 16 A F H X S+ 0 0 0 -4,-1.6 4,-2.5 -3,-0.3 -2,-0.2 0.836 106.8 53.7 -73.0 -32.8 8.6 9.0 23.0 20 17 A V H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.940 110.0 49.6 -62.0 -44.4 5.6 7.8 21.0 21 18 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.932 110.2 50.6 -57.9 -46.6 7.7 8.3 17.9 22 19 A M H X S+ 0 0 0 -4,-2.3 4,-3.1 1,-0.2 5,-0.3 0.929 110.3 50.0 -57.8 -46.0 10.6 6.3 19.5 23 20 A I H X S+ 0 0 3 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.899 108.5 51.5 -60.2 -43.5 8.2 3.5 20.3 24 21 A L H < S+ 0 0 0 -4,-2.6 4,-0.3 2,-0.2 -1,-0.2 0.921 115.6 42.1 -60.9 -43.3 6.8 3.3 16.8 25 22 A L H >< S+ 0 0 0 -4,-2.3 3,-1.4 -5,-0.2 7,-0.2 0.969 118.4 43.2 -65.7 -52.3 10.4 3.1 15.4 26 23 A L H 3< S+ 0 0 19 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.803 107.6 59.2 -69.7 -29.4 11.8 0.7 17.9 27 24 A S T 3< S+ 0 0 8 -4,-2.3 -1,-0.3 -5,-0.3 -2,-0.2 0.505 99.9 62.1 -77.2 -3.6 8.8 -1.6 18.0 28 25 A N X> + 0 0 29 -3,-1.4 4,-2.5 -4,-0.3 3,-1.5 -0.503 54.8 156.9-121.7 57.7 9.1 -2.3 14.2 29 26 A P T 34 S+ 0 0 62 0, 0.0 -1,-0.1 0, 0.0 -24,-0.1 0.759 71.5 66.0 -59.5 -24.5 12.6 -4.0 13.7 30 27 A K T 34 S+ 0 0 140 1,-0.2 3,-0.1 -3,-0.1 -2,-0.1 0.878 118.4 25.1 -59.5 -35.7 11.4 -5.6 10.4 31 28 A K T <4 S+ 0 0 49 -3,-1.5 -25,-2.8 1,-0.2 2,-0.4 0.746 127.2 39.5 -97.1 -30.7 11.2 -2.0 9.0 32 29 A V E < -a 6 0A 4 -4,-2.5 2,-0.8 -27,-0.3 -1,-0.2 -0.990 50.1-163.5-137.1 125.5 13.7 -0.0 11.2 33 30 A N E -a 7 0A 65 -27,-3.4 -25,-2.6 -2,-0.4 2,-0.9 -0.927 22.8-154.3-100.4 103.4 17.1 -0.7 12.7 34 31 A L E +a 8 0A 8 -2,-0.8 -25,-0.2 -27,-0.2 3,-0.1 -0.720 19.9 173.6 -86.4 109.7 17.3 2.0 15.3 35 32 A I E - 0 0 34 -27,-2.5 2,-0.3 -2,-0.9 -26,-0.2 0.435 57.8 -8.8-101.3 -0.1 21.1 2.6 15.7 36 33 A G E -a 9 0A 0 -28,-0.6 -26,-1.9 33,-0.2 2,-0.4 -0.910 50.6-141.4 177.0 158.5 21.0 5.6 18.0 37 34 A C E -ac 10 71A 0 33,-1.9 35,-2.1 -2,-0.3 2,-0.4 -0.996 8.7-161.9-133.3 141.3 19.1 8.3 19.8 38 35 A I E -ac 11 72A 0 -28,-2.7 -26,-2.6 -2,-0.4 2,-0.4 -0.944 9.1-159.2-114.6 141.1 20.1 11.9 20.4 39 36 A C E -ac 12 73A 0 33,-2.4 35,-2.8 -2,-0.4 2,-0.4 -0.991 4.4-160.5-126.0 130.2 18.2 13.9 23.1 40 37 A T - 0 0 1 -28,-2.0 2,-2.1 -2,-0.4 3,-0.2 -0.864 27.1-121.1-111.6 142.3 18.2 17.8 23.2 41 38 A D S S+ 0 0 59 35,-0.4 37,-0.2 -2,-0.4 -28,-0.1 -0.269 84.5 99.1 -74.8 50.0 17.4 20.0 26.1 42 39 A A S S+ 0 0 0 -2,-2.1 40,-0.3 -30,-0.1 -1,-0.1 0.763 90.9 12.0-105.3 -90.8 14.5 21.7 24.2 43 40 A D S S+ 0 0 20 -3,-0.2 2,-0.3 38,-0.1 47,-0.2 0.048 133.9 32.9 -85.4 31.6 11.0 20.4 25.1 44 41 A C S S- 0 0 0 -4,-0.1 2,-0.6 45,-0.1 44,-0.2 -0.935 93.4 -94.1-157.2 174.1 12.3 18.5 28.1 45 42 A F >> - 0 0 56 42,-0.8 4,-2.1 -2,-0.3 3,-1.1 -0.945 45.8-132.6 -91.5 121.8 15.0 18.7 30.8 46 43 A V H 3> S+ 0 0 28 -2,-0.6 4,-2.8 1,-0.3 5,-0.2 0.763 100.0 57.9 -59.0 -33.4 17.7 16.6 29.0 47 44 A E H 3> S+ 0 0 68 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.912 111.3 43.7 -62.6 -38.8 18.6 14.4 32.0 48 45 A N H <> S+ 0 0 23 -3,-1.1 4,-2.5 2,-0.2 5,-0.2 0.924 113.8 50.1 -69.2 -43.0 14.9 13.2 32.2 49 46 A G H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.899 111.1 50.2 -61.6 -38.6 14.7 12.8 28.4 50 47 A F H X S+ 0 0 0 -4,-2.8 4,-2.5 -5,-0.2 -1,-0.2 0.926 111.3 47.7 -61.5 -50.7 18.0 10.8 28.5 51 48 A D H X S+ 0 0 18 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.879 111.6 49.4 -61.9 -40.2 16.7 8.5 31.2 52 49 A V H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 5,-0.3 0.925 111.2 50.1 -65.5 -43.8 13.4 7.9 29.5 53 50 A T H X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.942 112.6 47.9 -57.0 -47.2 15.1 7.1 26.2 54 51 A G H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.905 112.1 47.7 -62.2 -43.1 17.4 4.7 28.0 55 52 A K H X S+ 0 0 8 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.885 111.2 49.9 -68.9 -38.3 14.6 2.9 29.9 56 53 A I H < S+ 0 0 8 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.940 110.9 51.0 -62.7 -45.0 12.5 2.5 26.8 57 54 A M H < S+ 0 0 1 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.923 112.8 46.4 -54.1 -48.0 15.5 1.1 24.9 58 55 A C H < 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.899 360.0 360.0 -65.6 -41.6 16.1 -1.4 27.8 59 56 A A < 0 0 12 -4,-2.7 4,-2.4 2,-0.2 5,-0.2 0.919 360.0 360.0 -61.9 360.0 12.4 -2.5 28.1 60 ! 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 61 58 A H > 0 0 49 0, 0.0 4,-1.2 0, 0.0 -2,-0.2 0.000 360.0 360.0 360.0 -45.6 15.5 -5.1 24.5 62 59 A R T 4 + 0 0 58 -4,-2.3 -3,-0.2 2,-0.2 -4,-0.1 0.925 360.0 36.5 -61.1 -46.1 14.1 -7.2 27.3 63 60 A L T 4 S+ 0 0 67 -4,-2.4 -1,-0.2 -5,-0.2 -4,-0.1 0.893 137.9 8.8 -83.1 -39.6 10.8 -7.9 25.6 64 61 A I T 4 S- 0 0 60 -5,-0.2 -2,-0.2 2,-0.1 -1,-0.1 0.315 94.2-117.6-128.4 4.7 11.5 -8.3 21.9 65 62 A K < + 0 0 126 -4,-1.2 -3,-0.1 1,-0.2 3,-0.1 0.733 48.2 165.9 65.3 27.9 15.4 -8.3 21.8 66 63 A T - 0 0 8 1,-0.1 -1,-0.2 -9,-0.1 -2,-0.1 -0.482 47.2 -96.1 -61.0 143.4 15.8 -5.2 19.7 67 64 A P - 0 0 79 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.242 31.5-113.0 -62.1 151.9 19.5 -4.2 20.0 68 65 A L - 0 0 64 -3,-0.1 -10,-0.0 -7,-0.1 -11,-0.0 -0.399 40.4-171.8 -67.2 159.9 20.8 -1.7 22.5 69 66 A F - 0 0 14 -2,-0.1 -33,-0.2 -32,-0.0 2,-0.1 -0.976 28.0 -82.5-153.6 160.5 22.2 1.4 20.9 70 67 A P - 0 0 34 0, 0.0 -33,-1.9 0, 0.0 2,-0.4 -0.445 37.1-164.3 -70.2 144.9 24.2 4.5 21.8 71 68 A I E -c 37 0A 0 -35,-0.2 2,-0.4 -2,-0.1 47,-0.3 -0.990 6.4-169.1-128.1 136.4 22.3 7.5 23.3 72 69 A G E -c 38 0A 0 -35,-2.1 -33,-2.4 -2,-0.4 2,-0.6 -0.988 20.4-136.6-133.5 135.1 23.7 11.0 23.5 73 70 A K E -cd 39 119A 37 45,-0.5 47,-2.6 -2,-0.4 48,-0.3 -0.753 28.5-135.6 -83.2 119.0 22.7 14.2 25.2 74 71 A S - 0 0 6 -35,-2.8 -33,-0.3 -2,-0.6 -28,-0.1 -0.468 4.3-149.2 -66.8 145.4 23.2 17.1 22.9 75 72 A T + 0 0 92 -2,-0.1 -1,-0.1 -35,-0.1 -35,-0.1 0.246 52.1 134.9 -96.4 10.9 24.8 20.2 24.3 76 73 A A - 0 0 16 1,-0.1 -35,-0.4 0, 0.0 2,-0.3 -0.309 44.4-147.0 -57.3 141.9 22.8 22.5 22.0 77 74 A T - 0 0 115 -37,-0.1 2,-0.1 67,-0.0 -35,-0.1 -0.840 16.6 -99.2-115.4 151.7 21.3 25.5 23.8 78 75 A A - 0 0 42 -2,-0.3 3,-0.2 -37,-0.2 115,-0.2 -0.345 19.1-172.1 -68.0 141.5 18.1 27.4 23.2 79 76 A V S S+ 0 0 64 113,-2.6 2,-0.5 1,-0.3 114,-0.2 0.816 98.6 12.2 -80.6 -55.1 17.7 30.6 21.3 80 77 A N S S- 0 0 26 112,-1.6 -1,-0.3 111,-0.3 113,-0.0 -0.912 93.6-140.8-125.7 101.9 14.1 30.7 22.5 81 78 A A - 0 0 57 -2,-0.5 3,-0.1 -3,-0.2 -39,-0.1 -0.148 17.9-105.0 -65.1 152.3 13.4 28.2 25.2 82 79 A F - 0 0 8 -40,-0.3 -1,-0.1 1,-0.1 2,-0.1 -0.342 49.4 -82.0 -67.6 155.6 10.3 26.1 25.6 83 80 A P >> - 0 0 32 0, 0.0 4,-1.3 0, 0.0 3,-0.6 -0.371 40.2-127.9 -57.7 133.3 7.7 26.9 28.2 84 81 A T H 3> S+ 0 0 72 1,-0.2 4,-0.7 2,-0.2 3,-0.4 0.868 104.3 59.1 -55.7 -40.4 8.9 25.4 31.4 85 82 A E H >4 S+ 0 0 154 1,-0.2 3,-0.9 2,-0.2 -1,-0.2 0.885 104.9 49.9 -58.7 -40.8 5.6 23.6 32.1 86 83 A W H X4 S+ 0 0 83 -3,-0.6 3,-1.4 1,-0.2 -1,-0.2 0.833 102.0 63.6 -65.1 -32.5 5.8 21.6 28.8 87 84 A R H >< S+ 0 0 30 -4,-1.3 -42,-0.8 -3,-0.4 3,-0.6 0.668 88.4 69.5 -72.3 -17.9 9.4 20.6 29.6 88 85 A F T XX + 0 0 91 -3,-0.9 4,-1.8 -4,-0.7 3,-1.0 0.561 69.9 92.5 -75.1 -8.1 8.5 18.6 32.7 89 86 A S H <> S+ 0 0 7 -3,-1.4 4,-2.3 1,-0.3 -1,-0.2 0.857 82.4 54.9 -61.5 -35.9 6.7 15.8 30.8 90 87 A A H <> S+ 0 0 0 -3,-0.6 4,-2.4 1,-0.2 -1,-0.3 0.802 104.8 54.6 -67.1 -29.8 9.8 13.6 30.6 91 88 A K H <> S+ 0 0 88 -3,-1.0 4,-1.1 -4,-0.3 -1,-0.2 0.926 108.0 48.8 -64.4 -45.5 10.1 13.8 34.4 92 89 A N H >< S+ 0 0 82 -4,-1.8 3,-0.6 1,-0.2 4,-0.4 0.931 112.7 48.4 -58.2 -44.1 6.6 12.6 34.8 93 90 A L H >< S+ 0 0 0 -4,-2.3 3,-1.6 1,-0.2 -1,-0.2 0.902 104.2 59.0 -62.8 -42.0 7.4 9.7 32.4 94 91 A D H 3< S+ 0 0 25 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.767 108.9 47.3 -54.7 -29.8 10.6 8.9 34.2 95 92 A D T << S+ 0 0 96 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.437 84.6 118.1 -93.8 -3.2 8.5 8.3 37.3 96 93 A M S X S- 0 0 42 -3,-1.6 3,-1.7 -4,-0.4 4,-0.1 -0.356 71.1-125.2 -70.7 145.8 5.8 6.1 35.7 97 94 A P G > S+ 0 0 107 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.873 111.0 57.1 -59.8 -36.3 5.4 2.6 36.9 98 95 A F G 3 S+ 0 0 8 1,-0.3 3,-0.2 2,-0.1 142,-0.1 0.643 107.8 49.5 -69.0 -13.0 5.8 1.1 33.4 99 96 A L G < S+ 0 0 2 -3,-1.7 -1,-0.3 -6,-0.2 -3,-0.1 0.131 104.3 61.2-106.5 14.4 9.2 2.9 33.2 100 97 A N < + 0 0 69 -3,-1.7 2,-0.2 -5,-0.1 -2,-0.1 0.090 59.8 146.6-131.3 23.5 10.4 1.6 36.6 101 98 A I >> - 0 0 58 -3,-0.2 4,-2.4 1,-0.1 3,-0.6 -0.464 55.0-126.1 -61.0 130.7 10.4 -2.1 36.1 102 99 A V H 3> S+ 0 0 122 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.872 106.0 49.9 -56.3 -45.1 13.3 -3.2 38.3 103 100 A E H 3> S+ 0 0 124 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.860 112.9 46.8 -61.3 -38.4 15.1 -5.2 35.6 104 101 A D H <> S+ 0 0 3 -3,-0.6 4,-2.5 2,-0.2 -1,-0.2 0.894 111.9 49.2 -70.5 -42.6 14.9 -2.3 33.1 105 102 A V H X S+ 0 0 39 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.915 112.1 51.1 -62.2 -43.3 16.0 0.3 35.7 106 103 A A H X S+ 0 0 59 -4,-2.5 4,-1.7 -5,-0.3 -2,-0.2 0.920 110.7 46.6 -63.4 -45.6 19.0 -2.0 36.5 107 104 A L H X S+ 0 0 36 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.936 112.9 49.7 -63.9 -43.6 20.1 -2.4 32.9 108 105 A W H X S+ 0 0 2 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.932 107.3 53.9 -60.1 -43.8 19.8 1.3 32.2 109 106 A E H < S+ 0 0 111 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.869 109.7 49.4 -59.0 -34.5 21.9 2.1 35.3 110 107 A K H < S+ 0 0 151 -4,-1.7 4,-0.3 1,-0.2 -1,-0.2 0.880 117.3 39.5 -68.4 -41.2 24.6 -0.3 33.9 111 108 A L H X S+ 0 0 12 -4,-2.0 4,-1.4 1,-0.2 -2,-0.2 0.624 94.8 85.6 -84.5 -15.9 24.6 1.3 30.5 112 109 A K H X S+ 0 0 24 -4,-1.9 4,-2.8 1,-0.2 3,-0.2 0.901 82.0 55.8 -62.3 -45.0 24.2 4.9 31.6 113 110 A P H > S+ 0 0 88 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.910 107.1 49.0 -57.6 -43.6 27.9 5.8 32.2 114 111 A E H 4 S+ 0 0 125 -4,-0.3 4,-0.3 1,-0.2 -2,-0.2 0.879 116.4 44.6 -62.6 -34.4 29.0 4.8 28.6 115 112 A N H >< S+ 0 0 5 -4,-1.4 3,-1.4 -3,-0.2 -42,-0.4 0.851 104.1 61.8 -77.1 -33.9 26.2 6.9 27.2 116 113 A E H 3< S+ 0 0 81 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.813 96.3 62.3 -59.0 -30.3 26.8 9.8 29.5 117 114 A A T 3< S+ 0 0 87 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.687 86.5 97.5 -71.7 -18.6 30.2 10.2 28.0 118 115 A H < - 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