==== 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 HYDROLASE 07-OCT-04 1XOV . COMPND 2 MOLECULE: PLY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: LISTERIA PHAGE PSA; . AUTHOR I.P.KORNDOERFER,A.SKERRA . 317 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15806.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 205 64.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 9.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 60 18.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 19 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 66 20.8 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 1 0 1 0 0 0 0 0 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 1 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 PARALLEL BRIDGES PER LADDER . 6 1 1 3 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 1 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 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 0 A A 0 0 71 0, 0.0 43,-0.3 0, 0.0 42,-0.1 0.000 360.0 360.0 360.0 122.5 61.2 20.8 15.8 2 1 A M + 0 0 146 1,-0.4 2,-0.3 41,-0.2 42,-0.1 0.401 360.0 91.2 150.8 -3.8 62.1 19.4 19.2 3 2 A S - 0 0 27 70,-0.0 42,-2.5 71,-0.0 2,-0.5 -0.771 59.4-132.3-111.3 164.4 65.6 17.9 19.5 4 3 A N E -a 45 0A 69 -2,-0.3 70,-2.3 40,-0.2 71,-1.1 -0.958 22.5-171.8-113.0 131.9 68.9 19.4 20.5 5 4 A Y E -ab 46 75A 9 40,-2.7 42,-2.7 -2,-0.5 2,-0.5 -0.968 12.0-164.6-125.4 136.4 72.0 18.7 18.3 6 5 A S E -ab 47 76A 2 69,-1.7 71,-2.3 -2,-0.4 2,-0.4 -0.996 20.2-179.6-118.3 120.7 75.7 19.6 19.1 7 6 A M E -ab 48 77A 0 40,-2.6 42,-1.9 -2,-0.5 2,-0.3 -0.978 7.1-177.6-130.7 131.6 77.8 19.4 16.0 8 7 A S E -ab 49 78A 0 69,-2.8 71,-2.5 -2,-0.4 2,-0.3 -0.922 24.3-122.8-125.9 153.0 81.5 20.0 15.4 9 8 A R E - b 0 79A 1 40,-2.0 42,-0.3 -2,-0.3 71,-0.2 -0.652 36.3-108.5 -82.6 151.0 83.9 20.0 12.5 10 9 A G E S+ 0 0 1 69,-2.7 7,-0.2 -2,-0.3 -1,-0.1 -0.455 75.0 0.3 -69.4 150.7 86.9 17.7 12.6 11 10 A H E S- 0 0 15 5,-0.1 40,-0.6 -2,-0.1 2,-0.3 0.120 81.4 -82.1 73.9-175.3 90.4 19.1 13.1 12 11 A S E > -aC 51 15A 0 3,-2.2 3,-1.6 38,-0.1 40,-0.2 -0.944 22.3-121.9-131.6 151.4 91.7 22.7 13.5 13 12 A D T 3 S+ 0 0 62 38,-1.8 3,-0.2 -2,-0.3 39,-0.1 0.712 122.0 41.3 -62.2 -19.2 92.4 25.5 11.2 14 13 A K T 3 S+ 0 0 146 40,-0.5 -1,-0.3 1,-0.2 38,-0.1 0.194 124.8 35.2-109.7 11.6 96.0 25.4 12.7 15 14 A C B < S-C 12 0A 31 -3,-1.6 -3,-2.2 41,-0.1 -1,-0.2 -0.529 91.5-166.3-160.0 80.0 96.2 21.5 12.8 16 15 A V - 0 0 69 -3,-0.2 -5,-0.1 -5,-0.2 3,-0.1 0.029 12.0-130.1 -80.5 174.8 94.4 20.5 9.7 17 16 A G - 0 0 11 1,-0.3 -1,-0.1 -7,-0.2 2,-0.1 0.117 60.6 -21.1 -95.9-142.4 93.0 17.1 8.6 18 17 A A - 0 0 8 63,-0.3 6,-2.6 5,-0.1 7,-0.4 -0.329 56.7-173.5 -68.6 146.0 93.4 15.3 5.3 19 18 A E B +G 23 0B 102 4,-0.2 4,-0.2 5,-0.1 2,-0.1 -0.934 32.3 109.4-143.8 119.8 94.4 17.3 2.2 20 19 A D S S- 0 0 99 2,-2.8 127,-0.2 -2,-0.4 63,-0.0 -0.242 94.9 -16.6-151.5-116.2 94.6 15.8 -1.3 21 20 A I S S+ 0 0 83 125,-1.2 2,-0.3 -2,-0.1 126,-0.2 0.931 140.9 34.2 -62.6 -46.2 92.1 16.6 -4.2 22 21 A L S S- 0 0 4 124,-2.1 -2,-2.8 4,-0.0 2,-0.6 -0.759 84.4-125.4-100.3 157.2 89.8 17.9 -1.5 23 22 A S B > -G 19 0B 20 -2,-0.3 4,-2.5 -4,-0.2 5,-0.3 -0.907 17.2-149.8 -98.0 118.6 90.6 19.8 1.8 24 23 A E H > S+ 0 0 0 -6,-2.6 4,-3.0 -2,-0.6 5,-0.2 0.914 94.7 45.8 -54.9 -49.2 88.9 17.9 4.6 25 24 A I H > S+ 0 0 20 -7,-0.4 4,-1.7 2,-0.2 -1,-0.2 0.880 112.3 51.3 -68.2 -33.5 88.4 21.0 6.8 26 25 A K H > S+ 0 0 126 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.956 116.9 38.5 -63.3 -51.6 87.0 23.0 3.9 27 26 A E H X S+ 0 0 5 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.907 114.3 54.2 -68.2 -43.0 84.5 20.4 2.8 28 27 A A H X S+ 0 0 0 -4,-3.0 4,-2.9 -5,-0.3 -1,-0.2 0.869 106.7 51.8 -60.6 -35.7 83.5 19.4 6.4 29 28 A E H X S+ 0 0 44 -4,-1.7 4,-2.7 -5,-0.2 -1,-0.2 0.904 109.2 50.7 -68.0 -40.4 82.7 22.9 7.4 30 29 A K H X S+ 0 0 96 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.908 114.0 44.2 -63.7 -42.3 80.4 23.3 4.3 31 30 A V H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 5,-0.3 0.925 112.4 51.7 -68.1 -44.9 78.6 20.1 5.2 32 31 A L H X S+ 0 0 0 -4,-2.9 4,-2.9 -5,-0.2 5,-0.2 0.941 112.0 46.6 -56.2 -49.8 78.4 21.0 8.9 33 32 A N H X S+ 0 0 69 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.914 112.9 49.4 -60.6 -41.4 76.9 24.4 8.0 34 33 A A H X S+ 0 0 13 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.927 114.3 44.8 -64.1 -49.0 74.4 22.8 5.5 35 34 A A H X S+ 0 0 0 -4,-2.9 4,-2.6 2,-0.2 5,-0.2 0.917 114.8 48.1 -61.2 -45.6 73.3 20.2 8.1 36 35 A S H X S+ 0 0 4 -4,-2.9 4,-2.6 -5,-0.3 5,-0.2 0.942 112.2 49.2 -57.3 -51.6 73.0 22.8 10.9 37 36 A D H X S+ 0 0 88 -4,-2.8 4,-2.3 -5,-0.2 -2,-0.2 0.893 113.7 47.1 -57.0 -44.4 71.0 25.2 8.7 38 37 A E H X S+ 0 0 6 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.912 110.7 49.8 -67.8 -41.9 68.7 22.4 7.7 39 38 A L H <>S+ 0 0 0 -4,-2.6 5,-2.3 2,-0.2 -2,-0.2 0.893 112.2 49.0 -64.8 -37.8 68.1 21.1 11.2 40 39 A K H ><5S+ 0 0 105 -4,-2.6 3,-1.6 3,-0.2 -2,-0.2 0.912 108.6 52.2 -67.5 -42.7 67.3 24.6 12.3 41 40 A R H 3<5S+ 0 0 33 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.872 106.3 56.4 -56.8 -35.2 64.9 25.1 9.4 42 41 A E T 3<5S- 0 0 27 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.482 126.7-103.4 -77.3 -2.8 63.3 21.9 10.6 43 42 A G T < 5S+ 0 0 35 -3,-1.6 -41,-0.2 1,-0.3 -3,-0.2 0.497 76.4 129.9 99.1 6.7 62.8 23.4 14.0 44 43 A H < - 0 0 14 -5,-2.3 2,-0.5 -43,-0.3 -1,-0.3 -0.467 60.5-112.6 -90.3 162.3 65.5 21.8 16.1 45 44 A N E -a 4 0A 105 -42,-2.5 -40,-2.7 -2,-0.1 2,-0.4 -0.862 38.3-174.1 -94.8 128.0 68.0 23.5 18.4 46 45 A V E -a 5 0A 18 -2,-0.5 2,-0.4 -42,-0.2 -40,-0.2 -0.982 14.6-171.2-131.2 128.4 71.5 23.2 17.0 47 46 A K E -a 6 0A 102 -42,-2.7 -40,-2.6 -2,-0.4 2,-0.3 -0.922 14.6-165.7-110.6 139.4 74.9 24.3 18.5 48 47 A T E -a 7 0A 57 -2,-0.4 2,-0.4 -42,-0.2 -40,-0.2 -0.949 7.8-166.9-127.2 156.7 78.0 24.1 16.4 49 48 A F E +a 8 0A 38 -42,-1.9 -40,-2.0 -2,-0.3 2,-0.4 -0.999 7.5 178.1-143.2 132.2 81.8 24.3 17.1 50 49 A I E - 0 0 30 -2,-0.4 2,-0.6 -42,-0.2 -38,-0.1 -0.977 24.8-137.2-135.0 122.7 84.8 24.8 14.8 51 50 A D E +a 12 0A 3 -40,-0.6 -38,-1.8 -2,-0.4 -37,-0.2 -0.677 27.0 169.8 -80.2 115.0 88.3 24.9 16.3 52 51 A R S S+ 0 0 105 -2,-0.6 -1,-0.1 -40,-0.2 -40,-0.1 0.536 70.2 36.3 -98.9 -8.3 90.3 27.7 14.6 53 52 A T S S+ 0 0 91 -40,-0.1 -41,-0.1 -39,-0.1 7,-0.1 0.700 71.1 114.3-125.5 -26.1 93.4 27.8 16.9 54 53 A S - 0 0 8 1,-0.1 -40,-0.5 -43,-0.1 -42,-0.0 -0.298 38.8-167.8 -57.6 135.5 94.7 24.4 18.3 55 54 A T + 0 0 104 -42,-0.1 2,-0.3 -40,-0.0 -1,-0.1 0.432 66.4 52.9-105.9 -4.2 98.1 23.6 16.9 56 55 A T S > S- 0 0 64 1,-0.1 4,-2.1 -41,-0.1 5,-0.1 -0.919 79.4-122.5-128.2 160.5 98.2 20.0 18.1 57 56 A Q H > S+ 0 0 90 -2,-0.3 4,-2.6 2,-0.2 5,-0.2 0.903 112.4 50.1 -63.5 -44.4 96.0 16.9 17.8 58 57 A S H > S+ 0 0 73 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.924 111.2 47.6 -66.0 -42.2 95.6 16.4 21.5 59 58 A A H > S+ 0 0 36 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.899 112.5 50.8 -61.4 -42.2 94.7 20.1 22.1 60 59 A N H X S+ 0 0 9 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.948 113.7 43.6 -61.3 -49.2 92.2 20.0 19.3 61 60 A L H X S+ 0 0 53 -4,-2.6 4,-2.6 1,-0.2 5,-0.3 0.883 112.3 52.4 -65.7 -39.4 90.5 16.8 20.6 62 61 A N H X S+ 0 0 70 -4,-2.5 4,-2.5 -5,-0.2 -1,-0.2 0.930 112.3 46.6 -59.5 -46.4 90.5 18.1 24.2 63 62 A K H X S+ 0 0 69 -4,-2.4 4,-2.1 -5,-0.2 -2,-0.2 0.924 113.8 47.3 -64.6 -43.2 88.8 21.3 23.0 64 63 A I H X S+ 0 0 4 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.948 115.2 44.5 -61.7 -52.2 86.2 19.4 20.9 65 64 A V H X S+ 0 0 5 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.933 112.2 51.6 -62.0 -47.8 85.3 16.9 23.6 66 65 A N H X S+ 0 0 107 -4,-2.5 4,-1.1 -5,-0.3 -1,-0.2 0.903 110.3 50.0 -53.7 -44.3 85.2 19.5 26.4 67 66 A W H X S+ 0 0 46 -4,-2.1 4,-0.8 -5,-0.2 3,-0.4 0.920 109.8 49.9 -62.1 -46.7 82.8 21.7 24.3 68 67 A H H >< S+ 0 0 1 -4,-2.4 3,-1.0 1,-0.2 -2,-0.2 0.931 111.3 49.0 -58.7 -41.6 80.5 18.7 23.6 69 68 A N H 3< S+ 0 0 53 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.754 109.9 52.2 -72.5 -17.3 80.4 17.9 27.3 70 69 A A H 3< S+ 0 0 68 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.582 111.2 51.5 -88.2 -11.4 79.6 21.5 28.0 71 70 A N S << S- 0 0 27 -3,-1.0 -1,-0.2 -4,-0.8 -24,-0.1 -0.693 82.8-153.2-132.4 74.2 76.8 21.5 25.5 72 71 A P + 0 0 99 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 -0.096 22.2 169.3 -52.9 146.4 74.4 18.6 26.1 73 72 A A - 0 0 22 1,-0.1 64,-0.3 -67,-0.1 -68,-0.2 -0.980 49.7-117.4-152.3 161.5 72.4 17.2 23.2 74 73 A D S S+ 0 0 65 -70,-2.3 2,-0.3 -2,-0.3 63,-0.3 0.887 108.5 10.8 -69.0 -38.2 70.2 14.3 22.0 75 74 A V E -b 5 0A 5 -71,-1.1 -69,-1.7 61,-0.1 2,-0.4 -0.995 69.0-151.6-141.8 139.4 73.0 13.5 19.5 76 75 A H E -bd 6 138A 5 61,-3.1 63,-2.1 -2,-0.3 2,-0.4 -0.910 18.2-167.5-107.1 133.1 76.5 14.8 19.1 77 76 A I E -bd 7 139A 0 -71,-2.3 -69,-2.8 -2,-0.4 2,-0.4 -0.991 13.4-165.8-127.7 136.2 78.0 14.8 15.6 78 77 A S E -bd 8 140A 2 61,-1.9 63,-2.8 -2,-0.4 2,-0.6 -0.960 18.0-145.1-115.2 131.4 81.6 15.2 14.4 79 78 A V E +bd 9 141A 0 -71,-2.5 -69,-2.7 -2,-0.4 2,-0.2 -0.888 30.4 152.7-108.6 119.6 82.0 15.9 10.7 80 79 A H E - d 0 142A 14 61,-2.7 63,-2.7 -2,-0.6 2,-0.3 -0.773 34.3-136.5-131.1 165.2 85.0 14.5 8.8 81 80 A L E - 0 0 0 61,-0.3 -63,-0.3 -2,-0.2 64,-0.2 -0.947 31.5-122.7-122.4 156.2 86.2 13.4 5.4 82 81 A N E - d 0 145A 17 62,-2.9 64,-2.8 -2,-0.3 2,-0.3 -0.347 17.6-161.3-100.8 169.3 88.2 10.3 4.9 83 82 A A + 0 0 38 62,-0.2 -65,-0.0 63,-0.1 62,-0.0 -0.980 54.7 83.5-145.7 158.5 91.5 9.4 3.3 84 83 A G S S- 0 0 62 -2,-0.3 -1,-0.1 2,-0.1 3,-0.1 0.363 97.2 -93.9 125.9 5.8 93.1 6.1 2.1 85 84 A K S S+ 0 0 142 1,-0.1 2,-0.1 -3,-0.1 -2,-0.0 0.680 83.8 128.9 53.6 26.4 91.6 6.0 -1.4 86 85 A G - 0 0 19 2,-0.1 2,-0.4 62,-0.0 61,-0.1 -0.195 55.6-126.9 -70.8-174.2 88.6 3.9 -0.7 87 86 A T + 0 0 32 -2,-0.1 2,-0.2 -3,-0.1 57,-0.0 -0.998 53.0 21.5-145.0 137.6 85.4 5.5 -2.0 88 87 A G S S- 0 0 0 -2,-0.4 2,-0.3 31,-0.1 31,-0.2 -0.526 80.0 -38.4 111.1-164.8 82.2 6.4 -0.5 89 88 A V E +e 119 0A 0 29,-2.2 31,-2.5 -2,-0.2 32,-0.9 -0.701 41.4 167.4-112.5 140.5 80.5 7.2 2.8 90 89 A E E -eF 121 142A 6 52,-1.8 52,-2.7 -2,-0.3 2,-0.4 -0.986 17.5-152.4-147.0 158.1 80.8 5.7 6.4 91 90 A V E -eF 122 141A 0 30,-1.7 32,-2.5 -2,-0.3 2,-0.3 -0.995 13.1-147.3-133.6 127.1 79.7 6.7 9.9 92 91 A W E +eF 123 140A 61 48,-3.0 48,-2.5 -2,-0.4 2,-0.3 -0.745 19.7 172.6 -96.1 141.5 81.4 5.6 13.1 93 92 A Y E -eF 124 139A 28 30,-2.1 32,-1.9 -2,-0.3 2,-0.4 -0.922 42.3 -83.9-141.0 164.1 79.7 5.0 16.3 94 93 A Y E > -e 125 0A 82 44,-0.6 3,-2.4 -2,-0.3 32,-0.2 -0.569 55.3-104.7 -72.7 123.3 80.7 3.6 19.8 95 94 A A T 3 S+ 0 0 28 30,-1.7 -1,-0.1 -2,-0.4 3,-0.1 -0.231 105.0 16.4 -51.1 124.2 80.6 -0.2 19.8 96 95 A G T 3 S+ 0 0 78 1,-0.2 2,-1.2 2,-0.0 -1,-0.3 0.282 86.6 124.5 94.8 -12.0 77.6 -1.4 21.6 97 96 A D <> - 0 0 40 -3,-2.4 4,-2.4 1,-0.2 -1,-0.2 -0.719 39.0-173.7 -77.1 96.1 75.7 1.8 21.6 98 97 A E H > S+ 0 0 93 -2,-1.2 4,-2.1 1,-0.2 5,-0.2 0.874 81.5 52.6 -65.4 -35.6 72.4 0.7 19.9 99 98 A K H > S+ 0 0 100 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.955 112.9 45.7 -65.1 -46.0 71.0 4.2 19.6 100 99 A G H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.882 109.3 55.0 -62.7 -38.8 74.2 5.4 17.9 101 100 A R H X S+ 0 0 83 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.946 107.2 49.6 -61.1 -45.7 74.3 2.3 15.6 102 101 A K H X S+ 0 0 118 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.905 113.1 46.6 -63.5 -38.5 70.8 2.9 14.3 103 102 A L H X S+ 0 0 20 -4,-1.7 4,-2.8 2,-0.2 5,-0.3 0.917 112.1 51.4 -65.7 -42.4 71.6 6.6 13.6 104 103 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 5,-0.3 0.913 108.7 50.7 -64.1 -44.4 74.9 5.7 11.9 105 104 A V H X S+ 0 0 55 -4,-2.7 4,-2.0 -5,-0.2 -1,-0.2 0.949 115.5 41.6 -58.6 -47.5 73.2 3.2 9.6 106 105 A E H X S+ 0 0 104 -4,-1.9 4,-2.3 -5,-0.2 -2,-0.2 0.914 115.7 48.3 -69.5 -41.6 70.5 5.7 8.5 107 106 A I H X S+ 0 0 0 -4,-2.8 4,-2.5 64,-0.2 5,-0.2 0.926 111.7 50.0 -66.0 -44.3 72.9 8.7 8.1 108 107 A S H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.3 5,-0.2 0.939 112.6 46.9 -61.3 -46.2 75.4 6.7 6.1 109 108 A A H X S+ 0 0 42 -4,-2.0 4,-2.1 -5,-0.3 -1,-0.2 0.931 113.5 48.0 -61.3 -43.4 72.7 5.3 3.7 110 109 A K H X S+ 0 0 70 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.897 112.8 47.4 -66.5 -44.0 71.1 8.8 3.2 111 110 A M H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.916 110.9 51.1 -62.7 -45.7 74.4 10.5 2.5 112 111 A A H X>S+ 0 0 6 -4,-2.4 4,-1.8 -5,-0.2 5,-1.6 0.900 111.0 49.6 -60.0 -42.0 75.6 7.8 0.1 113 112 A K H <5S+ 0 0 174 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.911 111.4 48.1 -64.5 -42.4 72.3 8.1 -1.8 114 113 A A H <5S+ 0 0 13 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.924 118.1 40.5 -61.8 -44.0 72.6 11.9 -2.0 115 114 A L H <5S- 0 0 3 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.728 103.7-128.1 -79.0 -23.2 76.2 11.8 -3.2 116 115 A G T <5 + 0 0 66 -4,-1.8 -3,-0.2 1,-0.3 -4,-0.1 0.817 68.0 123.9 72.8 34.6 75.7 8.9 -5.5 117 116 A L < - 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