==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-NOV-99 1DIX . COMPND 2 MOLECULE: EXTRACELLULAR RIBONUCLEASE LE; . SOURCE 2 ORGANISM_SCIENTIFIC: SOLANUM LYCOPERSICUM; . AUTHOR N.TANAKA,K.T.NAKAMURA . 208 1 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9689.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 118 56.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 15.4 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 . 2 1.0 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 . 7 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 43 20.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.4 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 0 0 2 0 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 1 1 0 0 1 2 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 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 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 1XA A 0 0 43 0, 0.0 2,-0.2 0, 0.0 7,-0.1 0.000 360.0 360.0 360.0 128.7 28.7 -9.0 7.2 2 2XA S > - 0 0 104 5,-0.1 3,-2.6 6,-0.0 5,-0.1 -0.604 360.0 -2.8-109.5 174.8 26.6 -12.2 7.1 3 3XA G T 3 S- 0 0 83 1,-0.3 0, 0.0 -2,-0.2 0, 0.0 -0.403 128.5 -22.5 55.7-133.3 23.6 -13.6 9.0 4 4XA S T 3 S+ 0 0 118 2,-0.0 2,-0.5 0, 0.0 -1,-0.3 0.236 104.5 116.7 -97.9 15.2 22.5 -11.3 11.8 5 2 A K < - 0 0 115 -3,-2.6 3,-0.1 1,-0.1 178,-0.0 -0.645 54.7-155.4 -81.7 124.5 25.9 -9.5 12.0 6 3 A D - 0 0 99 -2,-0.5 2,-0.3 1,-0.2 -1,-0.1 0.847 65.8 -5.1 -71.8 -33.9 25.2 -5.9 11.1 7 4 A F - 0 0 3 1,-0.1 41,-0.2 176,-0.1 -1,-0.2 -0.974 59.8-125.8-158.7 167.6 28.7 -4.9 9.9 8 5 A D S S- 0 0 22 39,-0.9 175,-0.8 -2,-0.3 2,-0.3 0.855 73.2 -31.3 -96.3 -38.5 32.2 -6.3 9.7 9 6 A F E -AB 47 182A 1 38,-2.8 38,-3.3 173,-0.2 2,-0.4 -0.949 57.0-103.5-164.1-174.8 34.5 -3.8 11.4 10 7 A F E -AB 46 181A 0 171,-2.5 171,-1.9 -2,-0.3 2,-0.5 -0.859 11.6-142.6-120.1 146.9 35.2 -0.2 12.2 11 8 A Y E -AB 45 180A 8 34,-2.8 34,-3.1 -2,-0.4 2,-0.6 -0.926 14.5-157.1 -95.4 138.4 37.5 2.4 10.9 12 9 A F E -AB 44 179A 1 167,-2.9 167,-2.0 -2,-0.5 2,-0.4 -0.979 19.4-167.2-110.6 119.6 38.8 4.6 13.7 13 10 A V E -AB 43 178A 0 30,-3.2 29,-2.6 -2,-0.6 30,-1.4 -0.914 12.5-173.1-123.9 134.8 39.8 7.9 12.0 14 11 A Q E -AB 41 177A 1 163,-2.1 163,-1.8 -2,-0.4 2,-0.3 -0.867 11.4-150.7-126.2 154.7 41.9 10.8 13.5 15 12 A Q E -AB 40 176A 23 25,-3.3 25,-2.4 -2,-0.3 161,-0.2 -0.956 13.7-128.1-130.9 142.6 42.5 14.1 11.8 16 13 A W >> - 0 0 1 159,-2.9 3,-1.5 -2,-0.3 4,-0.5 -0.902 15.4-150.9 -93.1 127.5 45.3 16.6 11.9 17 14 A P H >> S+ 0 0 7 0, 0.0 4,-2.2 0, 0.0 3,-1.1 0.795 92.2 63.0 -68.1 -32.1 44.0 20.1 12.6 18 15 A G H 34 S+ 0 0 2 1,-0.3 4,-0.3 188,-0.2 189,-0.1 0.792 103.6 50.5 -64.1 -25.8 46.7 21.9 10.7 19 16 A S H <4 S+ 0 0 0 -3,-1.5 -1,-0.3 2,-0.2 154,-0.1 0.598 108.7 51.6 -91.8 -2.0 45.5 20.2 7.5 20 17 A Y H << S+ 0 0 39 -3,-1.1 3,-0.4 -4,-0.5 -2,-0.2 0.825 113.1 45.4 -84.5 -32.0 42.0 21.3 8.2 21 18 A a S < S+ 0 0 39 -4,-2.2 6,-0.2 1,-0.2 -2,-0.2 0.258 103.7 59.5-104.1 19.8 43.0 24.9 8.6 22 19 A D S S+ 0 0 41 -4,-0.3 146,-2.6 -5,-0.1 147,-0.2 0.109 84.1 99.9-120.9 18.3 45.4 25.5 5.6 23 20 A T S S- 0 0 26 -3,-0.4 145,-0.2 2,-0.3 144,-0.1 -0.276 92.9 -86.2 -97.3-178.5 43.0 24.7 2.8 24 21 A K S S+ 0 0 168 142,-0.3 2,-0.3 143,-0.1 143,-0.1 0.562 109.3 68.5 -63.9 -16.5 41.0 27.0 0.4 25 22 A Q S S- 0 0 102 -5,-0.2 -2,-0.3 1,-0.0 2,-0.3 -0.766 90.1-110.0 -99.8 155.6 38.1 27.2 3.0 26 23 A S - 0 0 94 -2,-0.3 2,-0.3 -4,-0.1 58,-0.3 -0.598 26.3-154.8 -77.2 137.9 38.2 28.9 6.4 27 24 A a - 0 0 19 -2,-0.3 2,-0.3 -6,-0.2 56,-0.2 -0.796 12.5-144.4 -95.5 159.4 38.2 26.6 9.4 28 25 A b - 0 0 26 54,-1.9 59,-0.1 -2,-0.3 -7,-0.0 -0.961 10.4-121.4-121.6 148.5 36.8 28.1 12.6 29 26 A Y - 0 0 96 -2,-0.3 5,-0.2 1,-0.1 58,-0.2 -0.509 33.4-111.8 -84.1 150.2 37.9 27.4 16.2 30 27 A P > - 0 0 13 0, 0.0 3,-1.9 0, 0.0 58,-0.2 -0.367 35.0 -98.2 -71.5 173.9 35.3 26.0 18.7 31 28 A T T 3 S+ 0 0 99 56,-1.5 57,-0.1 1,-0.3 3,-0.1 0.472 119.7 62.3 -78.0 -9.6 34.0 28.2 21.5 32 29 A T T 3 S- 0 0 79 1,-0.3 -1,-0.3 55,-0.3 2,-0.2 0.510 116.9 -94.1 -91.2 -5.4 36.3 26.7 24.1 33 30 A G < - 0 0 33 -3,-1.9 -1,-0.3 2,-0.0 3,-0.1 -0.516 59.9 -32.2 128.0 168.9 39.4 28.0 22.2 34 31 A K S S- 0 0 112 -5,-0.2 3,-0.1 -2,-0.2 -5,-0.1 -0.479 75.6-114.3 -52.6 131.8 42.0 26.9 19.6 35 32 A P - 0 0 22 0, 0.0 -1,-0.1 0, 0.0 42,-0.1 -0.286 33.6 -88.1 -69.5 158.6 42.4 23.2 20.1 36 33 A A - 0 0 79 41,-0.2 2,-1.8 1,-0.1 -3,-0.0 -0.208 49.5-100.2 -55.3 152.9 45.7 21.7 21.3 37 34 A A S S+ 0 0 51 171,-0.1 2,-0.3 -3,-0.1 -1,-0.1 -0.529 87.6 101.8 -86.6 82.2 48.1 20.9 18.5 38 35 A D S S- 0 0 48 -2,-1.8 2,-0.1 -23,-0.1 -23,-0.0 -0.923 81.1 -78.8-154.5 155.9 47.3 17.2 18.3 39 36 A F - 0 0 3 -2,-0.3 2,-0.3 -23,-0.2 -23,-0.2 -0.551 47.2-156.4 -62.1 146.6 45.3 14.7 16.2 40 37 A G E -A 15 0A 10 -25,-2.4 -25,-3.3 -2,-0.1 39,-0.2 -0.884 23.6 -93.3-120.3 159.7 41.7 14.8 17.0 41 38 A I E +A 14 0A 4 37,-2.4 -27,-0.2 -2,-0.3 3,-0.1 -0.502 32.6 177.3 -63.2 131.1 39.0 12.2 16.5 42 39 A H E - 0 0 37 -29,-2.6 2,-0.3 1,-0.4 -28,-0.2 0.719 60.0 -59.3 -93.3 -53.7 37.0 12.4 13.3 43 40 A G E -A 13 0A 0 -30,-1.4 -30,-3.2 75,-0.1 2,-0.5 -0.995 29.0-113.4-177.0 176.6 34.9 9.4 13.9 44 41 A L E -A 12 0A 1 -2,-0.3 -32,-0.2 -32,-0.2 74,-0.1 -0.995 42.7-167.0-126.2 104.4 34.5 5.6 14.6 45 42 A W E -A 11 0A 37 -34,-3.1 -34,-2.8 -2,-0.5 2,-0.1 -0.912 19.4-135.5-113.7 117.1 32.7 4.2 11.5 46 43 A P E +A 10 0A 0 0, 0.0 2,-0.3 0, 0.0 -36,-0.2 -0.383 37.8 173.2 -60.0 140.7 31.1 0.8 11.0 47 44 A N E -A 9 0A 12 -38,-3.3 -38,-2.8 6,-0.2 -39,-0.9 -0.900 23.6-129.0-154.2 160.7 32.1 -0.6 7.7 48 45 A N > - 0 0 24 4,-2.7 3,-1.8 -2,-0.3 -41,-0.0 -0.728 27.7-108.8-116.5 173.5 31.8 -3.8 5.7 49 46 A N T 3 S+ 0 0 97 1,-0.3 4,-0.1 -2,-0.3 -42,-0.0 0.582 111.6 58.3 -87.4 1.2 34.2 -6.0 3.9 50 47 A D T 3 S- 0 0 103 2,-0.1 -1,-0.3 143,-0.1 3,-0.1 0.209 121.5 -97.2-103.3 10.4 33.1 -5.1 0.4 51 48 A G S < S+ 0 0 42 -3,-1.8 2,-0.2 1,-0.3 -2,-0.1 0.519 91.9 111.7 87.2 4.0 33.9 -1.3 0.8 52 49 A T - 0 0 69 0, 0.0 -4,-2.7 0, 0.0 -1,-0.3 -0.580 47.4-162.7 -99.6 168.1 30.2 -0.4 1.7 53 50 A Y - 0 0 122 -6,-0.2 2,-0.2 -2,-0.2 -6,-0.2 -0.982 22.1-111.8-151.7 154.0 29.0 0.8 5.1 54 51 A P + 0 0 28 0, 0.0 2,-0.3 0, 0.0 49,-0.1 -0.494 40.7 174.3 -81.0 155.7 25.8 1.2 7.1 55 52 A S + 0 0 48 -2,-0.2 45,-0.2 1,-0.1 44,-0.2 -0.968 54.8 14.0-163.8 144.7 24.7 4.9 7.8 56 53 A N S S+ 0 0 105 43,-1.3 43,-0.2 -2,-0.3 44,-0.1 0.815 73.1 160.9 49.4 57.1 21.7 6.8 9.3 57 54 A c + 0 0 63 41,-0.3 -1,-0.1 1,-0.2 42,-0.1 0.484 59.1 30.2 -90.5 -12.9 20.5 3.5 10.9 58 55 A D > + 0 0 39 40,-0.4 3,-1.5 1,-0.1 -1,-0.2 -0.505 50.9 170.7-152.4 79.9 18.1 4.7 13.7 59 56 A P T 3 S+ 0 0 109 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.706 79.6 69.6 -68.4 -12.9 16.3 8.0 13.2 60 57 A N T 3 S+ 0 0 147 1,-0.2 0, 0.0 2,-0.0 0, 0.0 0.096 94.2 58.9 -91.5 24.3 14.3 7.1 16.3 61 58 A S S < S- 0 0 31 -3,-1.5 -1,-0.2 37,-0.0 3,-0.1 -0.315 74.7-176.6-142.3 69.6 17.3 7.6 18.5 62 59 A P - 0 0 82 0, 0.0 -2,-0.0 0, 0.0 32,-0.0 -0.095 42.1 -78.4 -62.3 157.0 18.6 11.2 18.0 63 60 A Y - 0 0 33 31,-0.2 2,-0.4 1,-0.1 31,-0.1 -0.354 46.2-168.9 -58.9 138.5 21.7 12.3 19.7 64 61 A D > - 0 0 67 -3,-0.1 3,-2.3 1,-0.1 4,-0.3 -0.833 12.8-168.8-138.7 104.9 21.2 13.2 23.3 65 62 A Q G > S+ 0 0 62 -2,-0.4 3,-1.4 1,-0.3 7,-0.1 0.704 84.0 70.0 -68.4 -19.9 24.0 15.0 25.1 66 63 A S G > S+ 0 0 89 1,-0.3 3,-0.7 2,-0.2 -1,-0.3 0.787 93.6 60.4 -70.2 -18.5 22.5 14.5 28.5 67 64 A Q G < S+ 0 0 90 -3,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.601 112.7 36.2 -75.5 -18.0 23.4 10.8 28.1 68 65 A I G X> S+ 0 0 0 -3,-1.4 3,-2.0 -4,-0.3 4,-0.7 0.050 74.6 126.4-122.3 36.2 27.1 11.7 27.7 69 66 A S G X4 S+ 0 0 87 -3,-0.7 3,-0.7 1,-0.3 4,-0.4 0.823 72.7 56.5 -65.3 -35.4 27.4 14.5 30.2 70 67 A D G 34 S+ 0 0 98 1,-0.2 -1,-0.3 -4,-0.2 4,-0.2 0.679 108.8 47.3 -66.3 -20.0 30.3 12.8 32.0 71 68 A L G <> S+ 0 0 15 -3,-2.0 4,-2.6 1,-0.1 3,-0.5 0.408 82.9 96.5 -95.5 -11.9 32.4 12.6 28.8 72 69 A I H S+ 0 0 73 -4,-0.4 4,-1.6 2,-0.2 -1,-0.2 0.856 114.2 46.5 -67.8 -31.5 35.2 17.7 28.8 74 71 A S H > S+ 0 0 36 -3,-0.5 4,-3.2 2,-0.2 5,-0.4 0.898 112.0 51.2 -68.7 -40.1 37.1 14.8 27.3 75 72 A M H X S+ 0 0 0 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.893 107.0 54.6 -61.3 -39.8 35.1 15.2 24.1 76 73 A Q H < S+ 0 0 73 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.914 117.2 36.1 -60.0 -42.9 36.0 19.0 24.1 77 74 A Q H < S+ 0 0 140 -4,-1.6 -2,-0.2 -5,-0.2 -41,-0.2 0.897 128.6 30.5 -76.3 -45.4 39.7 18.2 24.3 78 75 A N H < S+ 0 0 29 -4,-3.2 -37,-2.4 1,-0.2 -3,-0.2 0.681 124.0 36.7-102.2 -7.5 40.0 15.1 22.1 79 76 A W S < S+ 0 0 0 -4,-1.9 -1,-0.2 -5,-0.4 -2,-0.1 -0.354 75.9 165.2-135.6 57.0 37.2 15.5 19.5 80 77 A P - 0 0 23 0, 0.0 2,-0.4 0, 0.0 9,-0.1 -0.235 31.4-131.0 -83.0 150.8 37.0 19.2 18.6 81 78 A T + 0 0 23 6,-0.2 6,-0.2 1,-0.1 9,-0.0 -0.929 20.1 180.0 -89.8 138.5 35.2 20.6 15.5 82 79 A L + 0 0 8 -2,-0.4 -54,-1.9 -53,-0.1 2,-0.2 -0.041 46.9 115.7-119.0 13.1 37.0 23.1 13.3 83 80 A A - 0 0 37 -56,-0.2 4,-0.1 2,-0.1 -56,-0.1 -0.546 69.7 -74.4 -81.0 155.6 34.1 23.6 10.8 84 81 A b S S+ 0 0 60 -58,-0.3 2,-0.1 -2,-0.2 -2,-0.1 -0.855 104.6 51.9 -96.8 141.1 32.4 26.9 10.5 85 82 A P S S- 0 0 115 0, 0.0 -2,-0.1 0, 0.0 -57,-0.1 0.342 94.7-111.4 -84.3 157.6 30.5 28.3 12.1 86 83 A S + 0 0 69 -56,-0.1 2,-0.3 -2,-0.1 -2,-0.1 -0.077 53.5 160.4 -46.9 140.3 32.3 28.2 15.5 87 84 A G - 0 0 24 -6,-0.2 -56,-1.5 -58,-0.2 -55,-0.3 -0.941 54.3 -99.8-157.4 175.0 30.4 26.0 17.8 88 85 A S - 0 0 57 -2,-0.3 -2,-0.1 -58,-0.2 -7,-0.1 0.664 65.1-102.6 -79.1 -19.5 30.6 24.0 21.0 89 86 A G S >> S+ 0 0 3 -9,-0.1 4,-2.0 -58,-0.0 3,-0.9 -0.105 94.7 110.0 117.9 -28.8 31.1 20.7 19.2 90 87 A S H 3> S+ 0 0 31 1,-0.3 4,-3.0 2,-0.2 5,-0.3 0.828 74.3 56.5 -56.8 -33.8 27.5 19.3 19.6 91 88 A T H 3> S+ 0 0 124 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.917 111.0 44.1 -57.3 -45.2 26.7 19.7 15.9 92 89 A F H <> S+ 0 0 34 -3,-0.9 4,-2.6 2,-0.2 -2,-0.2 0.932 115.7 44.9 -67.6 -51.6 29.7 17.5 15.0 93 90 A W H X S+ 0 0 2 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.939 111.9 54.0 -61.6 -42.5 29.1 14.8 17.6 94 91 A S H X S+ 0 0 30 -4,-3.0 4,-2.9 1,-0.3 5,-0.2 0.897 110.7 48.0 -58.4 -46.6 25.3 14.8 16.8 95 92 A H H X S+ 0 0 93 -4,-1.7 4,-2.4 -5,-0.3 5,-0.3 0.926 110.0 50.1 -63.4 -43.7 26.1 14.2 13.2 96 93 A E H X>S+ 0 0 6 -4,-2.6 4,-2.4 1,-0.2 5,-2.0 0.909 113.7 46.0 -66.4 -44.9 28.6 11.4 13.9 97 94 A W H <>S+ 0 0 1 -4,-2.6 5,-2.9 3,-0.2 -2,-0.2 0.941 114.6 46.5 -59.9 -50.7 26.1 9.6 16.1 98 95 A E H <5S+ 0 0 76 -4,-2.9 -40,-0.4 -5,-0.2 -41,-0.3 0.936 122.8 32.7 -61.0 -41.1 23.2 9.9 13.7 99 96 A K H <5S+ 0 0 61 -4,-2.4 -43,-1.3 -5,-0.2 -1,-0.2 0.814 140.7 6.1 -83.2 -39.1 25.1 8.9 10.6 100 97 A H T ><5S+ 0 0 14 -4,-2.4 3,-1.1 -5,-0.3 -3,-0.2 0.742 121.3 55.7-119.2 -49.6 27.5 6.3 12.0 101 98 A G G > + 0 0 0 -3,-2.4 4,-2.5 -4,-0.2 3,-0.3 -0.090 69.0 112.1-114.3 34.4 26.8 0.3 15.8 105 102 A E T <4 + 0 0 57 -3,-0.8 -1,-0.1 1,-0.2 -2,-0.1 0.777 69.0 63.9 -85.4 -14.5 23.9 -0.3 18.2 106 103 A S T 4 S+ 0 0 65 -3,-0.2 -1,-0.2 1,-0.1 3,-0.2 0.826 121.1 19.5 -68.6 -35.9 24.3 -4.0 17.9 107 104 A V T 4 S+ 0 0 49 -3,-0.3 2,-0.7 1,-0.3 -2,-0.2 0.779 131.3 41.1-102.3 -50.3 27.7 -3.9 19.4 108 105 A L S < S- 0 0 15 -4,-2.5 -1,-0.3 1,-0.2 6,-0.1 -0.911 79.4-163.1-103.7 104.2 27.9 -0.6 21.3 109 106 A T + 0 0 107 -2,-0.7 2,-0.3 -3,-0.2 -1,-0.2 0.742 59.4 19.2 -75.5 -34.7 24.4 -0.6 22.7 110 107 A N S >> S- 0 0 76 -6,-0.1 4,-2.0 1,-0.0 3,-0.6 -0.940 82.1-100.0-132.4 165.9 24.0 3.1 23.7 111 108 A Q H 3> S+ 0 0 2 -2,-0.3 4,-2.7 1,-0.3 5,-0.3 0.825 119.2 55.4 -45.6 -49.6 25.4 6.5 22.9 112 109 A H H 3> S+ 0 0 56 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.939 109.1 46.8 -58.0 -48.4 27.5 6.6 26.1 113 110 A A H <> S+ 0 0 32 -3,-0.6 4,-2.4 2,-0.2 -2,-0.2 0.930 113.0 50.6 -61.1 -37.2 29.2 3.3 25.1 114 111 A Y H X S+ 0 0 1 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.947 115.0 40.0 -61.7 -57.1 29.8 4.5 21.5 115 112 A F H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.905 114.9 52.4 -62.5 -44.3 31.5 7.8 22.5 116 113 A K H X S+ 0 0 92 -4,-2.5 4,-2.6 -5,-0.3 -2,-0.2 0.899 106.3 55.5 -63.2 -36.5 33.4 6.3 25.4 117 114 A K H X S+ 0 0 54 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