==== 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 PHOSPHODIESTERASE 13-JAN-04 1S3L . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN MJ0936; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOCALDOCOCCUS JANNASCHII; . AUTHOR S.CHEN,D.BUSSO,A.F.YAKUNIN,E.KUZNETSOVA,M.PROUDFOOT,J.JANCRI . 330 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14736.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 248 75.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 14.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 50 15.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 4 1.2 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 . 34 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 66 20.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 0 2 0 0 0 0 2 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 4 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 PARALLEL BRIDGES PER LADDER . 0 0 0 2 2 4 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 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 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 86 0, 0.0 154,-1.0 0, 0.0 155,-0.9 0.000 360.0 360.0 360.0 63.5 14.6 1.1 25.2 2 2 A K E -A 154 0A 48 152,-0.2 27,-1.8 153,-0.1 28,-0.6 -0.996 360.0-158.3-132.0 132.8 16.0 3.9 27.4 3 3 A I E -Ab 153 30A 0 150,-3.4 150,-2.7 -2,-0.4 28,-0.2 -0.932 13.2-137.9-113.7 128.0 19.1 3.7 29.6 4 4 A G E -Ab 152 31A 0 26,-2.6 28,-2.9 -2,-0.5 2,-0.4 -0.554 19.6-166.2 -80.0 145.1 19.7 6.1 32.6 5 5 A I E +Ab 151 32A 0 146,-3.0 146,-2.8 -2,-0.2 2,-0.3 -0.996 19.2 146.1-136.0 128.8 23.3 7.4 33.0 6 6 A M E + b 0 33A 0 26,-2.4 28,-1.6 -2,-0.4 29,-0.4 -0.936 13.2 174.2-150.9 171.6 24.6 9.2 36.0 7 7 A S + 0 0 0 142,-0.3 133,-1.9 131,-0.3 134,-0.2 -0.967 54.5 38.4-172.1 165.9 27.8 9.6 38.0 8 8 A D + 0 0 1 -2,-0.3 133,-1.7 131,-0.2 134,-0.3 0.865 50.5 161.0 48.6 52.7 29.4 11.4 40.9 9 9 A T > - 0 0 0 131,-0.2 3,-2.0 130,-0.1 28,-0.2 0.840 24.0-165.3 -69.7 -29.7 26.4 11.4 43.2 10 10 A H T 3 - 0 0 46 26,-2.4 28,-0.2 1,-0.3 27,-0.2 0.881 65.5 -60.5 42.5 51.6 28.7 12.2 46.2 11 11 A D T 3 S+ 0 0 48 26,-2.0 2,-1.9 1,-0.2 -1,-0.3 0.622 90.1 150.6 58.9 14.5 26.1 11.3 48.9 12 12 A H <> - 0 0 36 -3,-2.0 4,-3.2 1,-0.2 3,-0.4 -0.530 21.1-178.7 -83.4 82.0 23.8 14.1 47.6 13 13 A L H > S+ 0 0 42 -2,-1.9 4,-3.2 1,-0.2 5,-0.3 0.868 74.5 54.8 -47.7 -50.3 20.5 12.4 48.6 14 14 A P H > S+ 0 0 70 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.942 116.1 38.9 -57.1 -42.9 18.2 15.1 47.3 15 15 A N H > S+ 0 0 14 -3,-0.4 4,-2.6 2,-0.2 -2,-0.2 0.887 113.1 54.8 -74.4 -35.5 19.7 14.8 43.8 16 16 A I H X S+ 0 0 0 -4,-3.2 4,-2.3 1,-0.2 -1,-0.2 0.961 111.1 48.3 -57.8 -46.2 20.1 11.1 44.0 17 17 A R H X S+ 0 0 117 -4,-3.2 4,-2.3 1,-0.2 -2,-0.2 0.854 109.7 50.0 -61.0 -40.3 16.3 11.0 44.8 18 18 A K H X S+ 0 0 88 -4,-1.8 4,-2.7 -5,-0.3 -1,-0.2 0.916 109.3 53.4 -65.7 -41.3 15.4 13.3 41.9 19 19 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.945 108.6 48.4 -57.1 -50.6 17.5 11.2 39.5 20 20 A I H X S+ 0 0 7 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.940 111.0 50.3 -56.8 -49.6 15.6 8.0 40.6 21 21 A E H X S+ 0 0 119 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.923 111.3 49.5 -55.0 -46.0 12.2 9.7 40.1 22 22 A I H X S+ 0 0 42 -4,-2.7 4,-0.8 1,-0.2 -1,-0.2 0.888 111.6 48.1 -61.6 -38.3 13.3 10.9 36.7 23 23 A F H < S+ 0 0 1 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.887 113.8 47.4 -71.6 -36.6 14.4 7.4 35.7 24 24 A N H < S+ 0 0 46 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.962 107.4 53.7 -67.7 -53.8 11.2 5.8 37.0 25 25 A D H < S+ 0 0 141 -4,-2.9 -1,-0.2 -5,-0.2 2,-0.2 0.746 110.0 61.3 -53.5 -22.3 8.8 8.3 35.3 26 26 A E S < S- 0 0 50 -4,-0.8 -24,-0.0 -5,-0.2 0, 0.0 -0.535 103.2-106.2 -97.5 170.7 10.7 7.4 32.1 27 27 A N + 0 0 115 -2,-0.2 -1,-0.1 -24,-0.0 -24,-0.0 0.984 57.1 160.7 -57.5 -76.7 10.8 3.9 30.6 28 28 A V - 0 0 4 -3,-0.1 -25,-0.2 23,-0.0 3,-0.1 0.968 23.9-172.6 52.5 95.1 14.4 3.1 31.7 29 29 A E S S+ 0 0 75 -27,-1.8 23,-1.3 1,-0.2 2,-0.3 0.942 72.5 12.5 -75.8 -52.5 15.3 -0.5 31.7 30 30 A T E -bc 3 52A 11 -28,-0.6 -26,-2.6 21,-0.2 2,-0.4 -0.848 64.1-146.4-127.6 163.1 18.7 -0.1 33.3 31 31 A V E -bc 4 53A 0 21,-2.0 23,-2.5 -2,-0.3 2,-0.5 -0.997 10.2-152.1-130.0 132.2 20.7 2.7 35.0 32 32 A I E -bc 5 54A 0 -28,-2.9 -26,-2.4 -2,-0.4 2,-0.5 -0.904 11.9-178.3-106.3 131.2 24.5 3.1 34.7 33 33 A H E +bc 6 55A 0 21,-1.6 23,-1.8 -2,-0.5 -26,-0.2 -0.963 10.4 176.6-131.1 109.9 26.3 4.8 37.5 34 34 A C + 0 0 0 -28,-1.6 -27,-0.2 -2,-0.5 -1,-0.1 0.515 51.2 153.5 -86.1 -8.1 30.1 5.1 36.8 35 35 A G S S- 0 0 0 -29,-0.4 23,-0.8 1,-0.1 2,-0.7 0.682 75.7-137.0 -38.0 167.4 30.1 6.9 40.0 36 36 A D + 0 0 2 1,-0.2 -26,-2.4 21,-0.2 -25,-0.2 -0.935 39.3 166.4-111.5 83.4 31.7 8.0 43.1 37 37 A F - 0 0 1 -2,-0.7 -26,-2.0 1,-0.2 2,-0.9 0.946 25.0-171.2 -61.6 -46.6 28.4 7.0 45.0 38 38 A V + 0 0 30 -28,-0.2 24,-0.6 -3,-0.2 25,-0.4 -0.816 46.5 53.1 92.3 -76.7 30.8 7.5 47.8 39 39 A S S > S- 0 0 38 -2,-0.9 3,-2.2 -3,-0.2 4,-0.5 -0.639 73.4-129.9 -97.1 142.4 29.0 6.2 50.8 40 40 A L T >> S+ 0 0 17 -2,-0.3 3,-1.2 1,-0.3 4,-0.6 0.803 103.2 67.5 -49.2 -38.6 27.3 2.8 51.4 41 41 A F H 3> S+ 0 0 96 1,-0.3 4,-0.9 2,-0.2 3,-0.3 0.697 88.2 69.1 -61.3 -17.1 24.0 4.4 52.6 42 42 A V H X> S+ 0 0 0 -3,-2.2 3,-0.6 1,-0.2 4,-0.6 0.893 88.7 63.2 -66.8 -39.8 23.4 5.7 49.1 43 43 A I H X4 S+ 0 0 0 -3,-1.2 3,-1.2 -4,-0.5 -1,-0.2 0.836 94.2 61.6 -55.4 -32.4 22.9 2.2 47.8 44 44 A K H >< S+ 0 0 90 -4,-0.6 3,-2.5 -3,-0.3 4,-0.3 0.945 94.6 61.6 -59.0 -46.5 19.8 2.0 50.0 45 45 A E H X< S+ 0 0 22 -4,-0.9 3,-0.9 -3,-0.6 -1,-0.3 0.717 92.3 68.6 -52.1 -22.5 18.3 4.9 48.1 46 46 A F G X< S+ 0 0 4 -3,-1.2 3,-1.0 -4,-0.6 -1,-0.3 0.452 74.5 81.7 -81.2 1.1 18.4 2.7 45.0 47 47 A E G < S+ 0 0 113 -3,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.809 87.4 59.8 -71.1 -28.3 15.8 0.3 46.3 48 48 A N G < S+ 0 0 106 -3,-0.9 2,-0.6 -4,-0.3 -1,-0.2 0.490 84.8 100.1 -77.5 -2.9 13.3 2.8 45.0 49 49 A L < - 0 0 11 -3,-1.0 2,-1.6 2,-0.1 -28,-0.1 -0.774 65.3-150.5 -90.7 120.3 14.6 2.5 41.5 50 50 A N S S+ 0 0 125 -2,-0.6 2,-0.3 -30,-0.2 -1,-0.1 -0.368 71.6 63.6 -84.2 57.7 12.6 0.3 39.2 51 51 A A S S- 0 0 23 -2,-1.6 -21,-0.2 -20,-0.0 -22,-0.1 -0.965 86.2 -95.3-169.7 157.7 15.5 -0.9 37.0 52 52 A N E -c 30 0A 41 -23,-1.3 -21,-2.0 -2,-0.3 2,-0.4 -0.398 38.6-126.7 -81.1 165.9 18.7 -2.9 37.3 53 53 A I E -c 31 0A 4 -23,-0.2 26,-1.9 18,-0.1 2,-0.6 -0.944 18.4-170.7-121.5 130.6 22.1 -1.2 37.9 54 54 A I E +cd 32 79A 11 -23,-2.5 -21,-1.6 -2,-0.4 2,-0.2 -0.931 29.9 175.8-115.2 104.2 25.4 -1.4 36.0 55 55 A A E -cd 33 80A 0 24,-2.8 26,-1.2 -2,-0.6 2,-0.3 -0.676 21.2-163.9-113.6 167.0 28.0 0.4 38.2 56 56 A T E - d 0 81A 0 -23,-1.8 2,-0.3 24,-0.3 26,-0.2 -0.923 29.0-102.8-142.2 157.6 31.6 1.1 38.2 57 57 A Y - 0 0 8 24,-1.3 40,-0.4 -2,-0.3 -21,-0.2 -0.704 26.3-158.6 -92.9 141.6 34.0 2.4 40.9 58 58 A G > - 0 0 3 -23,-0.8 3,-0.7 -2,-0.3 -22,-0.1 -0.445 37.2 -99.0-101.0 179.6 35.3 5.9 41.3 59 59 A N T 3 S+ 0 0 112 1,-0.2 -23,-0.1 -2,-0.2 -1,-0.1 0.860 120.4 52.5 -68.8 -35.7 38.4 6.9 43.2 60 60 A N T 3 S+ 0 0 100 2,-0.0 2,-0.8 0, 0.0 -1,-0.2 0.493 76.9 112.5 -81.6 -4.7 36.5 8.1 46.2 61 61 A D < + 0 0 7 -3,-0.7 3,-0.3 1,-0.2 -22,-0.1 -0.603 39.5 173.2 -73.4 109.1 34.5 4.8 46.7 62 62 A G + 0 0 61 -2,-0.8 2,-1.9 -24,-0.6 3,-0.2 0.954 63.4 53.2 -81.8 -56.4 35.9 3.4 49.9 63 63 A E > + 0 0 110 -25,-0.4 4,-2.5 1,-0.2 5,-0.2 -0.433 66.1 165.9 -84.9 68.4 33.8 0.3 50.9 64 64 A R H > S+ 0 0 93 -2,-1.9 4,-2.0 -3,-0.3 -1,-0.2 0.884 71.9 38.2 -51.2 -54.0 34.2 -1.6 47.6 65 65 A C H > S+ 0 0 83 -3,-0.2 4,-3.2 1,-0.2 -1,-0.2 0.889 115.8 52.8 -70.9 -35.2 33.0 -5.0 48.6 66 66 A K H > S+ 0 0 95 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.867 108.5 51.9 -64.9 -36.6 30.2 -3.7 50.8 67 67 A L H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.924 112.3 45.7 -65.0 -44.7 29.0 -1.6 47.9 68 68 A K H X S+ 0 0 80 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.977 113.4 48.8 -62.1 -54.0 28.9 -4.7 45.7 69 69 A E H X S+ 0 0 101 -4,-3.2 4,-1.3 1,-0.2 3,-0.2 0.929 114.3 45.7 -50.5 -52.3 27.2 -6.8 48.3 70 70 A W H X S+ 0 0 57 -4,-2.8 4,-1.3 1,-0.2 -1,-0.2 0.848 108.5 54.6 -62.9 -38.5 24.5 -4.2 49.0 71 71 A L H X S+ 0 0 1 -4,-2.2 4,-0.7 1,-0.2 7,-0.3 0.871 109.2 50.4 -63.4 -35.2 23.9 -3.5 45.3 72 72 A K H < S+ 0 0 82 -4,-2.1 -1,-0.2 -3,-0.2 -2,-0.2 0.760 101.6 59.3 -74.6 -25.3 23.2 -7.2 44.8 73 73 A D H < S+ 0 0 127 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.837 104.2 53.4 -68.0 -32.6 20.8 -7.3 47.8 74 74 A I H < S- 0 0 43 -4,-1.3 -1,-0.2 1,-0.3 2,-0.2 0.792 137.9 -20.4 -69.6 -27.2 18.8 -4.7 45.8 75 75 A N >< - 0 0 48 -4,-0.7 3,-0.7 -5,-0.1 -1,-0.3 -0.760 49.5-134.9 176.9 132.7 18.9 -7.2 42.9 76 76 A E T 3 S+ 0 0 143 1,-0.2 -4,-0.1 -2,-0.2 -3,-0.1 0.718 106.0 65.2 -65.8 -23.6 21.0 -10.2 41.9 77 77 A E T 3 S+ 0 0 117 -5,-0.1 -1,-0.2 -3,-0.1 -5,-0.1 0.819 80.5 100.3 -68.9 -33.9 21.2 -8.7 38.3 78 78 A N < - 0 0 2 -3,-0.7 2,-0.3 -7,-0.3 -24,-0.2 -0.205 52.1-177.2 -57.2 143.5 23.1 -5.6 39.5 79 79 A I E -d 54 0A 59 -26,-1.9 -24,-2.8 -8,-0.1 2,-0.3 -0.959 11.2-176.5-141.6 157.4 26.9 -5.6 38.9 80 80 A I E +d 55 0A 8 -2,-0.3 2,-0.3 -26,-0.2 -24,-0.3 -0.932 14.6 143.8-159.4 131.9 29.9 -3.3 39.6 81 81 A D E -d 56 0A 76 -26,-1.2 -24,-1.3 -2,-0.3 3,-0.1 -0.883 60.6 -92.8-152.3 180.0 33.6 -3.4 38.8 82 82 A D S S+ 0 0 55 -2,-0.3 15,-0.6 -26,-0.2 2,-0.3 0.887 116.6 15.8 -68.3 -37.5 36.4 -1.0 38.0 83 83 A F E S-F 96 0B 90 13,-0.1 2,-0.4 -27,-0.1 -1,-0.2 -0.953 74.0-160.6-133.1 148.0 35.7 -1.5 34.3 84 84 A I E -F 95 0B 15 11,-2.1 11,-2.9 -2,-0.3 2,-0.5 -0.999 6.6-174.1-135.1 131.1 32.5 -3.0 32.8 85 85 A S E +F 94 0B 72 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.981 28.4 142.3-126.6 113.0 32.2 -4.4 29.3 86 86 A V E -F 93 0B 44 7,-1.7 7,-3.0 -2,-0.5 2,-0.4 -0.935 44.4-122.9-146.1 168.3 28.7 -5.5 28.4 87 87 A E E +F 92 0B 111 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.951 27.7 176.6-117.6 135.6 26.1 -5.6 25.6 88 88 A I E > -F 91 0B 19 3,-2.2 3,-1.7 -2,-0.4 -2,-0.0 -0.998 69.6 -8.1-141.9 135.5 22.7 -3.9 25.9 89 89 A D T 3 S- 0 0 43 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.875 132.2 -53.7 41.7 47.2 20.0 -3.6 23.3 90 90 A D T 3 S+ 0 0 144 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.771 113.6 123.7 60.6 32.0 22.5 -5.1 20.8 91 91 A L E < -F 88 0B 23 -3,-1.7 -3,-2.2 23,-0.0 2,-0.9 -0.972 61.6-131.4-124.8 135.2 25.1 -2.4 21.6 92 92 A K E -F 87 0B 98 -2,-0.4 22,-2.8 -5,-0.2 23,-2.2 -0.768 31.8-170.7 -88.4 108.7 28.6 -3.0 22.9 93 93 A F E -Fg 86 115B 0 -7,-3.0 -7,-1.7 -2,-0.9 2,-0.5 -0.785 16.6-165.7-101.2 139.9 29.2 -0.7 25.9 94 94 A F E -Fg 85 116B 20 21,-2.7 23,-2.6 -2,-0.4 2,-0.4 -0.989 17.8-172.1-118.0 130.0 32.4 0.0 27.7 95 95 A I E +Fg 84 117B 0 -11,-2.9 -11,-2.1 -2,-0.5 2,-0.3 -0.980 16.6 139.1-129.2 137.0 31.9 1.7 31.1 96 96 A T E -Fg 83 118B 2 21,-1.9 23,-1.5 -2,-0.4 2,-0.3 -0.982 52.9 -93.3-160.7 165.6 34.3 3.2 33.6 97 97 A H E - g 0 119B 4 -15,-0.6 2,-3.1 -40,-0.4 3,-0.2 -0.670 55.3-100.0 -83.3 146.7 34.9 6.1 35.9 98 98 A G S S+ 0 0 10 21,-4.4 3,-0.1 -2,-0.3 -1,-0.1 -0.222 77.6 128.9 -65.4 62.3 36.7 8.9 34.1 99 99 A H + 0 0 75 -2,-3.1 2,-0.4 1,-0.2 -1,-0.1 0.915 66.2 15.3 -81.1 -90.1 40.2 8.2 35.5 100 100 A H >> - 0 0 126 -3,-0.2 3,-1.2 1,-0.1 4,-1.0 -0.732 57.1-149.0 -94.8 134.3 42.9 8.0 32.8 101 101 A Q H 3> S+ 0 0 114 -2,-0.4 4,-3.0 1,-0.2 5,-0.2 0.753 94.1 73.3 -64.2 -26.8 42.3 9.3 29.2 102 102 A S H 3> S+ 0 0 52 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.798 99.5 44.8 -60.7 -28.7 44.6 6.6 27.9 103 103 A V H <> S+ 0 0 33 -3,-1.2 4,-1.8 2,-0.2 -1,-0.2 0.795 111.1 54.2 -82.1 -32.6 41.9 4.0 28.7 104 104 A L H X S+ 0 0 29 -4,-1.0 4,-2.1 2,-0.2 -2,-0.2 0.958 110.6 46.7 -64.2 -51.3 39.3 6.2 27.1 105 105 A E H X S+ 0 0 93 -4,-3.0 4,-3.1 2,-0.2 5,-0.2 0.893 111.7 47.6 -58.5 -47.9 41.3 6.5 23.9 106 106 A M H X S+ 0 0 118 -4,-1.5 4,-1.9 1,-0.2 -1,-0.2 0.907 111.7 54.0 -59.9 -41.6 42.1 2.7 23.6 107 107 A A H X S+ 0 0 5 -4,-1.8 4,-0.6 2,-0.2 6,-0.6 0.925 114.4 39.2 -57.8 -46.8 38.4 2.1 24.2 108 108 A I H >< S+ 0 0 12 -4,-2.1 3,-0.8 1,-0.2 -2,-0.2 0.962 121.7 41.8 -67.1 -54.2 37.4 4.4 21.4 109 109 A K H 3< S+ 0 0 130 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.591 98.2 74.0 -72.2 -13.7 40.1 3.4 18.9 110 110 A S H 3< S- 0 0 55 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.1 0.842 89.9-142.6 -70.6 -29.5 40.0 -0.3 19.6 111 111 A G S << S+ 0 0 60 -3,-0.8 -2,-0.1 -4,-0.6 -3,-0.1 0.444 70.1 114.6 82.0 0.4 36.7 -0.4 17.6 112 112 A L + 0 0 115 -5,-0.3 2,-0.3 2,-0.0 -4,-0.1 0.718 67.5 55.9 -76.8 -16.8 35.4 -3.0 20.1 113 113 A Y - 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