==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 19-JAN-10 3LFY . COMPND 2 MOLECULE: PAPAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CARICA PAPAYA; . AUTHOR M.H.CHU,K.L.LIU,K.W.YEH,Y.S.CHENG . 429 4 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17746.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 255 59.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 71 16.6 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 . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 . 3 0.7 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 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 82 19.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 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 0 2 1 0 3 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 12 3 1 3 3 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 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 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 I 0 0 118 0, 0.0 4,-0.1 0, 0.0 122,-0.1 0.000 360.0 360.0 360.0 148.7 67.8 48.1 27.3 2 2 A P - 0 0 87 0, 0.0 3,-0.1 0, 0.0 124,-0.1 0.026 360.0-119.9 -60.1 171.6 71.1 47.8 25.3 3 3 A E S S+ 0 0 148 1,-0.2 2,-0.4 165,-0.0 0, 0.0 0.622 100.8 46.1 -87.8 -15.1 72.2 44.7 23.4 4 4 A Y + 0 0 152 163,-0.2 2,-0.4 164,-0.1 163,-0.2 -0.982 62.0 172.2-136.1 123.9 75.4 44.7 25.6 5 5 A V E +A 166 0A 20 161,-2.7 161,-2.1 -2,-0.4 167,-0.3 -0.996 7.6 159.5-131.7 130.5 75.8 45.1 29.3 6 6 A D E >> -A 165 0A 31 -2,-0.4 3,-1.1 159,-0.2 4,-0.9 -0.739 20.9-164.1-152.6 96.4 79.0 44.7 31.4 7 7 A W T 34>S+ 0 0 36 157,-2.8 5,-2.7 1,-0.3 6,-0.3 0.551 86.3 70.3 -60.6 -8.3 79.0 46.4 34.8 8 8 A R T >45S+ 0 0 89 156,-0.4 3,-3.1 3,-0.2 5,-0.3 0.924 92.3 56.3 -73.1 -46.0 82.8 46.0 34.9 9 9 A Q T <45S+ 0 0 145 -3,-1.1 -2,-0.2 1,-0.3 -1,-0.2 0.912 106.0 51.3 -49.7 -46.4 83.2 48.5 32.2 10 10 A K T 3<5S- 0 0 141 -4,-0.9 -1,-0.3 1,-0.1 -2,-0.2 0.393 119.4-117.4 -73.7 5.2 81.3 50.9 34.4 11 11 A G T < 5S+ 0 0 28 -3,-3.1 -3,-0.2 1,-0.1 -2,-0.2 0.913 78.8 127.1 58.2 45.0 83.8 50.0 37.1 12 12 A A < + 0 0 3 -5,-2.7 2,-0.4 152,-0.1 -4,-0.2 0.292 51.9 78.7-111.5 5.3 81.0 48.5 39.3 13 13 A V - 0 0 20 -6,-0.3 3,-0.1 -5,-0.3 32,-0.1 -0.969 65.2-148.9-124.4 129.5 82.6 45.2 39.8 14 14 A T - 0 0 5 -2,-0.4 3,-0.1 1,-0.2 -2,-0.1 -0.430 45.7 -68.4 -86.1 163.4 85.5 44.3 42.2 15 15 A P - 0 0 95 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 0.023 61.3 -90.1 -48.7 159.5 88.0 41.6 41.5 16 16 A V - 0 0 20 168,-0.2 163,-0.3 -3,-0.1 2,-0.2 -0.624 47.3-152.9 -77.7 126.4 87.0 37.9 41.4 17 17 A K - 0 0 16 -2,-0.4 161,-2.0 158,-0.3 2,-0.5 -0.537 10.7-130.2 -99.7 166.4 87.2 36.2 44.8 18 18 A N B -I 177 0B 98 159,-0.3 159,-0.2 -2,-0.2 3,-0.1 -0.974 8.1-165.4-118.1 117.5 87.8 32.6 45.9 19 19 A Q - 0 0 0 157,-2.5 5,-0.1 -2,-0.5 158,-0.1 0.612 28.1-164.1 -77.9 -11.1 85.4 31.2 48.5 20 20 A G - 0 0 36 156,-0.3 2,-1.5 1,-0.2 -1,-0.2 -0.304 59.6 -12.4 61.6-145.3 87.7 28.3 49.1 21 21 A S S S+ 0 0 68 69,-0.1 286,-0.4 406,-0.1 2,-0.3 -0.465 108.6 104.7 -90.1 66.2 86.2 25.4 50.9 22 22 A a S S- 0 0 0 -2,-1.5 2,-0.5 284,-0.1 3,-0.2 -0.990 70.6-133.7-142.8 149.7 83.0 27.0 52.1 23 23 A G B S+j 64 0C 9 40,-1.1 42,-0.8 -2,-0.3 3,-0.3 -0.312 72.5 117.6 -94.6 48.6 79.4 26.9 51.2 24 24 A S >> + 0 0 0 -2,-0.5 4,-2.2 39,-0.2 3,-0.5 0.031 26.9 116.3-103.6 24.2 79.4 30.7 51.3 25 25 A X H 3> S+ 0 0 19 1,-0.3 4,-3.5 2,-0.2 5,-0.3 0.922 73.0 58.5 -56.8 -47.4 78.5 31.3 47.7 26 26 A W H 3> S+ 0 0 0 -3,-0.3 4,-2.0 1,-0.2 -1,-0.3 0.856 108.3 48.6 -50.3 -37.4 75.2 32.9 48.7 27 27 A A H <> S+ 0 0 0 -3,-0.5 4,-3.0 2,-0.2 -2,-0.2 0.953 111.6 45.4 -68.7 -53.9 77.4 35.4 50.6 28 28 A F H X S+ 0 0 9 -4,-2.2 4,-1.3 1,-0.2 -2,-0.2 0.910 113.7 52.3 -55.9 -43.6 79.8 36.2 47.8 29 29 A S H X S+ 0 0 2 -4,-3.5 4,-1.4 131,-0.3 -1,-0.2 0.901 112.3 43.6 -59.2 -46.3 76.8 36.5 45.4 30 30 A A H X S+ 0 0 0 -4,-2.0 4,-1.6 -5,-0.3 -2,-0.2 0.928 108.9 57.0 -67.1 -45.7 75.0 39.0 47.7 31 31 A V H X S+ 0 0 1 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.789 104.0 55.4 -58.3 -26.7 78.1 41.0 48.4 32 32 A V H X S+ 0 0 14 -4,-1.3 4,-1.7 -5,-0.2 -1,-0.2 0.929 104.2 50.3 -73.4 -44.4 78.6 41.5 44.7 33 33 A T H X S+ 0 0 0 -4,-1.4 4,-2.0 1,-0.2 -1,-0.2 0.807 113.4 50.3 -63.3 -25.4 75.2 43.0 44.1 34 34 A I H X S+ 0 0 1 -4,-1.6 4,-2.3 2,-0.2 5,-0.2 0.936 106.2 50.9 -77.6 -47.6 76.0 45.3 47.0 35 35 A E H X S+ 0 0 3 -4,-2.2 4,-0.9 1,-0.2 11,-0.5 0.801 115.9 45.6 -60.1 -28.9 79.4 46.5 45.8 36 36 A G H X S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 3,-0.3 0.938 109.2 49.6 -81.4 -50.2 77.7 47.3 42.5 37 37 A I H X S+ 0 0 2 -4,-2.0 4,-1.7 1,-0.3 5,-0.2 0.876 111.2 53.0 -58.0 -34.6 74.6 49.1 43.7 38 38 A I H X>S+ 0 0 8 -4,-2.3 4,-2.9 1,-0.2 5,-0.8 0.876 108.7 49.4 -67.6 -36.0 76.8 51.2 45.9 39 39 A K H <5S+ 0 0 54 -4,-0.9 -2,-0.2 -3,-0.3 -1,-0.2 0.904 108.6 53.1 -67.1 -42.1 79.0 52.1 42.9 40 40 A I H <5S+ 0 0 55 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.851 121.1 31.1 -61.7 -37.1 75.9 53.0 40.8 41 41 A R H <5S+ 0 0 116 -4,-1.7 -2,-0.2 -5,-0.2 -3,-0.2 0.892 132.9 27.4 -89.0 -48.2 74.7 55.4 43.5 42 42 A T T <5S- 0 0 86 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.1 0.961 90.8-130.9 -80.7 -57.6 77.8 56.7 45.2 43 43 A G S + 0 0 0 32,-2.7 4,-0.9 -2,-0.4 32,-0.2 -0.329 32.9 177.0 -56.5 109.9 82.7 41.8 54.0 50 50 A E H > S+ 0 0 4 -2,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.745 85.3 64.3 -82.5 -23.2 81.2 38.5 52.8 51 51 A Q H > S+ 0 0 0 35,-0.5 4,-2.5 2,-0.2 5,-0.3 0.862 95.7 58.1 -63.6 -37.1 82.6 37.1 56.1 52 52 A E H > S+ 0 0 3 34,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.946 110.1 41.4 -58.7 -49.0 80.2 39.3 57.9 53 53 A L H X S+ 0 0 1 -4,-0.9 4,-1.8 1,-0.2 -1,-0.2 0.829 111.7 57.6 -68.3 -31.7 77.2 37.7 56.1 54 54 A L H < S+ 0 0 0 -4,-2.1 8,-0.2 1,-0.2 -2,-0.2 0.917 116.6 32.5 -63.7 -44.9 78.8 34.3 56.5 55 55 A D H < S+ 0 0 1 -4,-2.5 40,-0.4 1,-0.1 -2,-0.2 0.769 125.2 41.5 -83.0 -31.1 78.9 34.6 60.3 56 56 A b H < S+ 0 0 24 -4,-2.2 2,-1.2 -5,-0.3 -3,-0.2 0.633 81.3 99.5 -97.7 -17.0 75.9 36.7 60.9 57 57 A D ><> - 0 0 7 -4,-1.8 3,-0.7 -5,-0.2 5,-0.5 -0.594 45.2-179.9 -75.8 98.8 73.2 35.3 58.6 58 58 A R T 3 5S+ 0 0 128 -2,-1.2 -1,-0.2 1,-0.2 -4,-0.0 0.556 77.5 57.9 -78.2 -7.9 71.2 33.2 60.9 59 59 A R T 3 5S+ 0 0 116 8,-0.1 -1,-0.2 11,-0.1 -2,-0.1 0.605 104.3 62.5 -93.4 -12.7 68.7 32.1 58.3 60 60 A S T < 5S- 0 0 3 -3,-0.7 6,-0.3 6,-0.1 3,-0.1 0.003 90.0-117.7 -90.9-159.5 71.6 30.7 56.3 61 61 A Y T > 5 - 0 0 51 4,-1.8 3,-2.5 1,-0.4 -38,-0.1 -0.130 34.4-128.8-140.3 40.6 74.0 27.9 57.3 62 62 A G T > - 0 0 82 -2,-0.3 4,-1.4 1,-0.1 5,-0.1 -0.990 12.1-149.8-132.5 131.3 70.5 32.3 50.8 68 68 A P H > S+ 0 0 8 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.888 98.7 56.1 -64.9 -37.3 71.5 35.5 48.9 69 69 A W H > S+ 0 0 76 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.945 106.5 46.8 -62.2 -47.2 68.1 37.0 49.7 70 70 A S H > S+ 0 0 0 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.839 112.8 52.4 -63.3 -30.8 68.3 36.7 53.5 71 71 A A H X S+ 0 0 0 -4,-1.4 4,-0.8 2,-0.2 -1,-0.2 0.897 110.7 46.0 -70.1 -41.0 71.8 38.0 53.3 72 72 A L H X S+ 0 0 1 -4,-2.4 4,-0.7 1,-0.2 3,-0.3 0.847 108.5 56.5 -70.9 -29.9 70.6 41.0 51.4 73 73 A Q H X S+ 0 0 77 -4,-2.4 4,-0.9 1,-0.2 3,-0.4 0.840 104.4 54.1 -66.5 -32.0 67.7 41.4 53.8 74 74 A L H X>S+ 0 0 25 -4,-1.3 5,-1.3 1,-0.2 4,-0.8 0.721 106.5 51.4 -74.9 -22.0 70.4 41.6 56.6 75 75 A V H <5S+ 0 0 1 -4,-0.8 32,-2.2 -3,-0.3 -1,-0.2 0.600 109.0 50.4 -91.5 -8.9 72.1 44.4 54.7 76 76 A A H <5S+ 0 0 10 -4,-0.7 -2,-0.2 -3,-0.4 -1,-0.2 0.597 114.1 43.8 -98.8 -16.2 68.9 46.4 54.4 77 77 A Q H <5S- 0 0 136 -4,-0.9 -2,-0.2 -5,-0.1 -3,-0.1 0.619 140.4 -4.1-100.6 -19.0 68.1 46.1 58.1 78 78 A Y T <5S- 0 0 138 -4,-0.8 2,-0.2 -5,-0.1 25,-0.2 0.526 91.7-124.3-137.4 -58.9 71.6 46.8 59.4 79 79 A G < - 0 0 1 -5,-1.3 2,-0.3 27,-0.1 27,-0.3 -0.766 21.7 -90.9 130.1-175.8 74.3 47.3 56.8 80 80 A I B -L 105 0E 0 25,-2.7 25,-1.8 -2,-0.2 24,-0.6 -0.954 23.4-127.6-139.1 157.4 77.7 45.9 55.9 81 81 A H - 0 0 3 -2,-0.3 -32,-2.7 22,-0.3 -29,-0.1 -0.519 39.2 -84.6 -98.9 168.3 81.3 46.5 56.7 82 82 A Y B > -K 48 0D 95 -34,-0.3 4,-1.2 -2,-0.2 3,-0.4 -0.349 36.2-121.6 -68.8 152.1 84.3 46.9 54.4 83 83 A R T >4 S+ 0 0 46 -36,-2.1 3,-0.6 1,-0.3 -35,-0.1 0.919 115.1 49.8 -62.4 -42.2 85.9 43.6 53.3 84 84 A N T 34 S+ 0 0 129 -37,-0.3 -1,-0.3 1,-0.2 -36,-0.1 0.736 107.6 56.3 -69.7 -17.7 89.3 44.6 54.8 85 85 A T T 34 S+ 0 0 45 -3,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.757 124.7 22.1 -81.5 -25.2 87.5 45.5 58.0 86 86 A Y S << S- 0 0 1 -4,-1.2 -35,-0.5 -3,-0.6 -34,-0.3 -0.473 93.3-157.9-141.2 62.3 86.0 41.9 58.2 87 87 A P - 0 0 66 0, 0.0 2,-0.2 0, 0.0 -3,-0.1 0.057 25.7 -99.7 -42.5 145.1 88.5 39.9 56.0 88 88 A Y - 0 0 44 1,-0.1 -39,-0.0 2,-0.1 -5,-0.0 -0.502 35.8-179.5 -72.8 137.7 87.3 36.6 54.5 89 89 A E - 0 0 62 2,-0.3 -1,-0.1 -2,-0.2 3,-0.1 0.302 37.6-126.4-121.3 7.1 88.5 33.5 56.5 90 90 A G S S+ 0 0 15 1,-0.1 2,-0.3 -72,-0.1 -69,-0.1 0.776 86.0 77.6 51.6 27.7 87.0 30.7 54.4 91 91 A V S S- 0 0 21 215,-0.1 2,-0.6 -69,-0.1 -2,-0.3 -0.969 85.2-107.6-157.7 157.2 85.3 29.4 57.6 92 92 A Q B +M 305 0F 5 213,-3.4 213,-3.1 -2,-0.3 184,-0.2 -0.839 40.7 165.8 -99.9 121.7 82.3 30.4 59.8 93 93 A R - 0 0 74 -2,-0.6 183,-0.3 -42,-0.2 2,-0.2 -0.224 47.8 -66.8-109.8-160.5 83.0 32.0 63.1 94 94 A Y - 0 0 77 140,-0.4 2,-0.5 -2,-0.1 183,-0.2 -0.617 66.9 -84.0 -90.4 157.6 80.7 33.9 65.5 95 95 A b + 0 0 7 -40,-0.4 3,-0.3 -2,-0.2 -1,-0.1 -0.484 45.3 179.1 -66.2 116.8 79.3 37.2 64.3 96 96 A R > + 0 0 17 -2,-0.5 3,-1.1 1,-0.2 -1,-0.1 -0.071 40.4 123.0-107.6 32.5 81.8 39.8 65.0 97 97 A S T 3 S+ 0 0 6 1,-0.2 3,-0.4 2,-0.1 -1,-0.2 0.627 70.8 52.6 -70.5 -15.0 79.8 42.6 63.6 98 98 A R T 3 S+ 0 0 205 -3,-0.3 3,-0.3 1,-0.2 -1,-0.2 0.469 97.2 66.8 -98.8 -4.0 79.8 44.7 66.8 99 99 A E S < S+ 0 0 121 -3,-1.1 -1,-0.2 1,-0.2 -2,-0.1 0.209 98.2 54.9 -98.4 14.3 83.6 44.6 67.2 100 100 A K S S- 0 0 67 -3,-0.4 -1,-0.2 1,-0.3 -2,-0.1 0.358 98.3-125.0-130.3 6.7 84.1 46.7 64.1 101 101 A G - 0 0 42 -3,-0.3 -1,-0.3 -20,-0.0 3,-0.1 -0.316 61.0 -3.6 82.0-168.0 82.1 49.9 64.5 102 102 A P S S- 0 0 123 0, 0.0 2,-0.4 0, 0.0 -23,-0.1 -0.056 81.6 -92.7 -57.5 159.5 79.4 51.4 62.1 103 103 A Y - 0 0 77 -25,-0.2 -22,-0.3 1,-0.1 3,-0.0 -0.622 21.9-138.7 -79.6 128.9 78.5 49.8 58.8 104 104 A A S S- 0 0 36 -24,-0.6 2,-0.3 -2,-0.4 -23,-0.2 0.846 84.8 -2.1 -53.3 -35.9 80.4 51.1 55.8 105 105 A A B -L 80 0E 15 -25,-1.8 -25,-2.7 -3,-0.0 2,-0.3 -0.961 61.6-162.0-152.3 166.4 77.2 51.0 53.8 106 106 A K - 0 0 85 -2,-0.3 2,-0.2 -27,-0.3 -30,-0.2 -0.987 10.7-142.9-152.2 153.2 73.5 50.1 54.0 107 107 A T - 0 0 1 -32,-2.2 104,-0.2 -2,-0.3 3,-0.1 -0.573 14.4-133.8-111.2 178.5 70.7 49.4 51.6 108 108 A D S S- 0 0 76 102,-2.3 2,-0.3 1,-0.3 103,-0.2 0.371 72.2 -36.0-115.3 1.6 67.0 50.2 51.7 109 109 A G - 0 0 16 101,-0.4 101,-2.7 -37,-0.1 2,-0.4 -0.959 50.8-108.1 163.2 179.7 65.5 46.9 50.7 110 110 A V E -B 209 0A 27 -2,-0.3 2,-0.3 99,-0.3 -41,-0.0 -0.999 24.0-168.9-141.3 137.8 65.7 43.7 48.6 111 111 A R E -B 208 0A 162 97,-2.5 97,-2.1 -2,-0.4 2,-0.6 -0.960 16.8-137.4-131.0 148.5 63.6 42.6 45.6 112 112 A Q E -B 207 0A 93 -2,-0.3 95,-0.3 95,-0.2 -2,-0.0 -0.903 23.5-132.2-104.4 118.5 63.2 39.4 43.7 113 113 A V - 0 0 1 93,-1.6 93,-0.4 -2,-0.6 8,-0.1 -0.177 46.4 -78.2 -59.8 160.5 63.1 39.7 39.9 114 114 A Q - 0 0 125 91,-0.1 3,-0.5 1,-0.1 7,-0.2 -0.481 56.8-128.8 -64.9 118.9 60.3 37.7 38.2 115 115 A P S S+ 0 0 53 0, 0.0 89,-0.2 0, 0.0 90,-0.1 -0.318 84.1 23.6 -68.7 148.6 61.5 34.1 38.2 116 116 A Y S S+ 0 0 108 87,-3.3 2,-0.3 81,-0.2 81,-0.1 0.893 96.2 110.9 64.9 41.1 61.5 32.0 35.0 117 117 A N > - 0 0 78 -3,-0.5 4,-2.2 86,-0.2 5,-0.2 -0.794 48.5-168.0-150.2 101.1 61.6 35.1 32.8 118 118 A E H > S+ 0 0 38 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.890 90.6 50.5 -55.9 -43.9 64.7 35.8 30.8 119 119 A G H > S+ 0 0 40 2,-0.2 4,-3.7 1,-0.2 -1,-0.2 0.951 108.5 50.4 -59.9 -52.3 63.5 39.4 29.9 120 120 A A H > S+ 0 0 13 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.925 114.4 45.7 -52.1 -48.9 62.7 40.4 33.5 121 121 A L H X S+ 0 0 1 -4,-2.2 4,-2.7 -7,-0.2 -1,-0.2 0.945 113.6 48.7 -60.8 -49.5 66.2 39.1 34.6 122 122 A L H X S+ 0 0 12 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.891 109.2 54.0 -57.4 -41.4 67.9 40.9 31.6 123 123 A Y H X S+ 0 0 138 -4,-3.7 4,-0.7 1,-0.2 -1,-0.2 0.961 110.3 46.3 -58.5 -50.7 66.0 44.0 32.5 124 124 A S H >X S+ 0 0 6 -4,-2.4 4,-2.2 1,-0.2 3,-1.5 0.912 109.8 52.3 -58.1 -47.1 67.2 44.0 36.1 125 125 A I H 3< S+ 0 0 0 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.886 102.0 61.5 -57.5 -38.3 70.8 43.3 35.1 126 126 A A H 3< S+ 0 0 20 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.755 111.1 40.1 -59.2 -24.9 70.6 46.2 32.8 127 127 A N H << S- 0 0 74 -3,-1.5 -2,-0.2 -4,-0.7 -1,-0.2 0.798 132.7 -19.4 -94.8 -32.2 70.0 48.4 35.8 128 128 A Q S < S- 0 0 17 -4,-2.2 -1,-0.3 35,-0.1 37,-0.1 -0.979 80.3 -73.0-169.8 158.9 72.4 46.8 38.3 129 129 A P - 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