==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (SERINE PROTEASE) 01-SEP-95 1SBI . COMPND 2 MOLECULE: SUBTILISIN 8397; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS AMYLOLIQUEFACIENS; . AUTHOR R.D.KIDD,H.P.YENNAWAR,G.K.FARBER . 275 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9931.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 190 69.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 12.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 5.1 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 . 3 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 22 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 63 22.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.5 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 2 2 0 0 0 0 2 0 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 3 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 PARALLEL BRIDGES PER LADDER . 4 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 . 1 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 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 A 0 0 120 0, 0.0 2,-0.4 0, 0.0 79,-0.3 0.000 360.0 360.0 360.0 174.0 -10.2 60.3 32.2 2 2 A Q - 0 0 50 75,-0.2 2,-0.4 77,-0.2 79,-0.2 -0.783 360.0-165.2 -99.5 133.0 -6.6 59.2 31.5 3 3 A S - 0 0 83 77,-2.6 79,-0.2 -2,-0.4 76,-0.0 -0.887 15.6-138.1-114.2 138.0 -4.1 58.3 34.1 4 4 A V - 0 0 69 -2,-0.4 2,-0.2 77,-0.2 79,-0.1 -0.863 26.5-124.0 -95.6 124.9 -0.3 58.0 33.5 5 5 A P >> - 0 0 17 0, 0.0 4,-1.2 0, 0.0 3,-1.1 -0.553 20.6-116.8 -68.3 143.1 1.1 55.0 35.2 6 6 A Y H 3> S+ 0 0 77 1,-0.2 4,-2.6 -2,-0.2 5,-0.2 0.820 111.7 62.7 -44.3 -40.1 4.1 55.8 37.6 7 7 A G H 3> S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.862 98.2 50.9 -55.9 -47.0 6.4 53.7 35.4 8 8 A V H <4>S+ 0 0 1 -3,-1.1 5,-2.2 1,-0.2 -1,-0.2 0.920 116.2 44.1 -60.3 -39.7 6.0 55.8 32.2 9 9 A S H ><5S+ 0 0 60 -4,-1.2 3,-1.2 3,-0.2 -2,-0.2 0.857 107.6 58.5 -73.2 -36.3 6.9 58.9 34.3 10 10 A Q H 3<5S+ 0 0 30 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.863 107.3 45.8 -64.1 -37.4 9.8 57.2 36.2 11 11 A I T 3<5S- 0 0 0 -4,-1.8 259,-2.7 -5,-0.2 260,-0.6 0.411 116.6-121.0 -85.6 5.5 11.6 56.5 33.0 12 12 A K T X 5 + 0 0 91 -3,-1.2 3,-0.8 257,-0.2 4,-0.5 0.754 63.2 145.3 60.2 38.3 10.8 60.1 32.0 13 13 A A T >>< + 0 0 0 -5,-2.2 4,-1.6 1,-0.2 3,-1.3 0.862 60.0 67.3 -71.5 -36.4 8.9 59.3 28.8 14 14 A P H 3> S+ 0 0 43 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.686 89.8 67.3 -61.0 -14.6 6.4 62.2 29.1 15 15 A A H <4 S+ 0 0 24 -3,-0.8 4,-0.3 1,-0.2 -2,-0.2 0.903 105.8 40.9 -71.1 -37.3 9.2 64.6 28.5 16 16 A L H X>>S+ 0 0 1 -3,-1.3 5,-2.5 -4,-0.5 3,-1.0 0.833 106.6 61.3 -77.8 -34.7 9.5 63.3 25.0 17 17 A H H ><5S+ 0 0 27 -4,-1.6 3,-0.5 1,-0.3 -1,-0.2 0.849 104.3 52.5 -60.0 -32.6 5.8 63.1 24.4 18 18 A S T 3<5S+ 0 0 111 -4,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.642 103.6 55.5 -76.0 -20.5 5.7 66.9 24.9 19 19 A Q T <45S- 0 0 103 -3,-1.0 -1,-0.2 -4,-0.3 -2,-0.2 0.546 127.0 -98.6 -88.0 -9.7 8.5 67.4 22.3 20 20 A G T <<5S+ 0 0 53 -4,-0.7 2,-0.8 -3,-0.5 -3,-0.2 0.493 86.9 126.8 103.6 9.7 6.4 65.6 19.7 21 21 A Y < + 0 0 69 -5,-2.5 -2,-0.2 1,-0.1 -1,-0.2 -0.854 11.7 141.9-104.9 100.3 8.1 62.3 20.1 22 22 A T S S- 0 0 24 -2,-0.8 65,-2.0 63,-0.1 66,-0.4 0.284 76.1 -93.6-118.9 8.5 5.6 59.6 20.7 23 23 A G > + 0 0 0 210,-0.3 3,-1.4 1,-0.2 66,-0.3 0.744 59.8 174.7 84.8 25.7 7.0 56.8 18.7 24 24 A S T 3 + 0 0 56 1,-0.2 -1,-0.2 64,-0.1 64,-0.2 -0.433 67.0 13.6 -69.4 137.4 5.1 57.4 15.4 25 25 A N T 3 S+ 0 0 142 62,-0.7 2,-0.5 1,-0.2 -1,-0.2 0.490 94.9 123.4 78.7 3.7 6.1 55.1 12.5 26 26 A V < - 0 0 9 -3,-1.4 63,-2.2 61,-0.2 2,-0.6 -0.865 55.4-141.3 -99.0 127.9 8.1 52.8 14.7 27 27 A K E -a 89 0A 80 -2,-0.5 93,-2.0 91,-0.2 94,-1.7 -0.820 20.4-176.2 -94.7 118.8 7.1 49.1 14.5 28 28 A V E -ab 90 121A 0 61,-1.9 63,-2.3 -2,-0.6 2,-0.5 -0.954 13.4-148.0-116.8 131.2 7.1 47.2 17.8 29 29 A A E -ab 91 122A 0 92,-2.4 94,-2.3 -2,-0.4 2,-1.0 -0.823 2.9-158.4-100.8 126.3 6.3 43.4 18.1 30 30 A V E -ab 92 123A 0 61,-3.1 63,-1.5 -2,-0.5 2,-1.0 -0.825 12.1-165.3-103.1 82.8 4.7 42.1 21.3 31 31 A I E +ab 93 124A 0 92,-1.5 94,-0.6 -2,-1.0 2,-0.2 -0.674 51.7 92.1 -70.5 100.4 5.8 38.4 21.0 32 32 A D E S-a 94 0A 0 61,-2.6 63,-2.7 -2,-1.0 64,-1.6 -0.814 93.3 -37.7-164.6-150.2 3.4 37.1 23.6 33 33 A S S S- 0 0 0 1,-0.3 28,-0.4 -2,-0.2 29,-0.4 0.117 94.8 -89.4 -86.3 25.2 -0.1 35.7 24.1 34 34 A G - 0 0 0 -4,-0.4 2,-0.4 59,-0.3 -1,-0.3 -0.195 42.7 -98.8 90.0 171.2 -1.7 37.9 21.5 35 35 A I - 0 0 0 22,-2.3 2,-1.1 30,-0.1 57,-0.1 -0.999 22.9-123.7-132.3 129.3 -3.2 41.4 22.0 36 36 A D > - 0 0 20 -2,-0.4 3,-1.1 1,-0.2 23,-0.2 -0.624 24.9-171.9 -74.8 102.2 -6.9 42.2 22.4 37 37 A S T 3 S+ 0 0 58 -2,-1.1 5,-0.2 21,-0.8 7,-0.2 0.662 74.3 74.1 -68.5 -19.3 -7.5 44.7 19.5 38 38 A S T 3 + 0 0 86 20,-0.3 -1,-0.3 3,-0.1 -2,-0.1 0.359 67.7 116.3 -76.2 6.3 -11.1 45.6 20.7 39 39 A H X - 0 0 4 -3,-1.1 3,-1.8 1,-0.2 169,-0.0 -0.674 67.4-141.4 -78.2 125.1 -9.6 47.6 23.6 40 40 A P T 3 S+ 0 0 64 0, 0.0 -1,-0.2 0, 0.0 39,-0.1 0.717 100.6 55.0 -57.2 -18.9 -10.6 51.2 23.1 41 41 A D T 3 S+ 0 0 0 33,-0.1 34,-2.4 36,-0.0 2,-0.3 0.243 99.3 67.8-100.8 11.8 -7.1 52.1 24.4 42 42 A L < - 0 0 8 -3,-1.8 2,-0.4 32,-0.2 32,-0.1 -0.971 54.7-162.6-133.2 146.7 -4.9 50.1 21.9 43 43 A K - 0 0 155 30,-0.5 47,-1.1 -2,-0.3 2,-0.6 -0.850 13.9-167.6-132.5 94.2 -4.3 50.3 18.2 44 44 A V E -c 90 0A 26 -2,-0.4 47,-0.2 -7,-0.2 45,-0.1 -0.765 6.8-166.4 -87.2 114.4 -2.9 47.0 16.8 45 45 A A E - 0 0 62 45,-2.1 2,-0.3 -2,-0.6 46,-0.2 0.809 59.1 -53.4 -70.3 -35.1 -1.5 47.3 13.2 46 46 A G E +c 91 0A 16 44,-0.9 46,-2.1 11,-0.0 2,-0.3 -0.913 58.8 164.2-178.6-158.4 -1.1 43.6 12.3 47 47 A G E -c 92 0A 23 -2,-0.3 2,-0.3 44,-0.3 46,-0.3 -0.950 24.0-119.7 149.5-172.5 0.5 40.5 13.7 48 48 A A E -c 93 0A 19 44,-2.1 46,-2.2 -2,-0.3 2,-0.5 -0.979 13.7-128.6-162.4 152.6 0.4 36.7 13.3 49 49 A S E +c 94 0A 28 -2,-0.3 46,-0.2 6,-0.3 44,-0.1 -0.959 18.6 176.2-116.7 129.5 -0.2 33.7 15.4 50 50 A F + 0 0 51 44,-3.0 45,-0.1 -2,-0.5 -1,-0.1 0.204 52.8 107.8-110.3 12.1 2.1 30.8 15.7 51 51 A V - 0 0 5 3,-0.5 3,-0.4 43,-0.4 45,-0.1 -0.840 60.7-152.6 -92.9 117.5 0.1 29.0 18.3 52 52 A P S S+ 0 0 96 0, 0.0 3,-0.3 0, 0.0 -1,-0.2 0.883 96.2 45.5 -56.7 -41.7 -1.5 25.9 16.5 53 53 A S S S+ 0 0 100 1,-0.2 2,-0.4 -3,-0.1 -2,-0.0 0.694 115.1 50.1 -76.6 -19.5 -4.5 25.9 18.9 54 54 A E + 0 0 34 -3,-0.4 -3,-0.5 1,-0.1 -1,-0.2 -0.704 57.6 172.4-130.4 86.9 -5.1 29.7 18.7 55 55 A T + 0 0 128 -2,-0.4 -6,-0.3 -3,-0.3 -1,-0.1 0.530 60.0 79.1 -65.3 -19.1 -5.2 31.2 15.1 56 56 A N > - 0 0 54 1,-0.1 3,-1.0 -8,-0.1 -8,-0.1 -0.865 52.1-175.1 -99.6 108.1 -6.3 34.7 16.0 57 57 A P T 3 S+ 0 0 12 0, 0.0 -22,-2.3 0, 0.0 -1,-0.1 0.673 84.6 66.7 -74.6 -12.5 -3.4 36.9 17.3 58 58 A F T 3 S+ 0 0 66 -24,-0.2 -21,-0.8 -22,-0.1 2,-0.4 0.093 90.5 80.1 -91.3 19.5 -5.9 39.7 18.0 59 59 A Q < - 0 0 95 -3,-1.0 2,-0.6 -23,-0.2 -23,-0.1 -0.994 60.7-170.0-131.9 120.2 -7.3 37.4 20.7 60 60 A D + 0 0 10 -2,-0.4 -26,-0.1 -26,-0.1 -24,-0.1 -0.894 9.5 175.0-117.2 100.7 -5.6 37.2 24.0 61 61 A N S S+ 0 0 79 -2,-0.6 -1,-0.1 -28,-0.4 -27,-0.1 0.512 79.6 47.4 -81.7 -6.1 -7.1 34.4 26.1 62 62 A N S S- 0 0 54 -29,-0.4 -1,-0.1 34,-0.1 36,-0.1 0.910 93.2-131.4 -95.6 -62.5 -4.5 34.8 28.9 63 63 A S S > S+ 0 0 18 -29,-0.2 4,-1.7 -30,-0.1 5,-0.1 -0.142 83.1 95.0 129.6 -25.0 -4.3 38.7 29.7 64 64 A H H > S+ 0 0 31 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.865 80.5 50.1 -58.3 -50.5 -0.5 38.9 29.6 65 65 A G H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.882 111.3 47.9 -61.0 -43.4 -0.1 40.1 25.9 66 66 A T H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 142,-0.4 0.916 111.9 50.5 -62.9 -43.8 -2.6 42.9 26.2 67 67 A H H X S+ 0 0 0 -4,-1.7 4,-1.3 2,-0.2 141,-0.4 0.945 111.9 46.7 -60.1 -50.9 -1.1 44.2 29.5 68 68 A V H X S+ 0 0 0 -4,-2.3 4,-1.1 1,-0.2 3,-0.4 0.906 111.5 52.9 -58.7 -42.8 2.4 44.2 28.0 69 69 A A H X S+ 0 0 0 -4,-2.3 4,-3.2 1,-0.2 -1,-0.2 0.831 104.5 54.9 -62.0 -40.4 1.1 46.0 24.9 70 70 A G H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.802 103.4 54.6 -65.3 -32.5 -0.6 48.7 26.8 71 71 A T H < S+ 0 0 5 -4,-1.3 13,-2.1 -3,-0.4 -1,-0.2 0.822 117.2 38.7 -69.8 -32.0 2.7 49.6 28.7 72 72 A V H < S+ 0 0 0 -4,-1.1 13,-3.3 11,-0.3 -2,-0.2 0.950 139.9 0.3 -81.1 -55.7 4.4 50.0 25.2 73 73 A A H < + 0 0 2 -4,-3.2 -30,-0.5 10,-0.2 2,-0.2 -0.117 68.9 151.1-135.7 40.0 1.5 51.7 23.2 74 74 A A < - 0 0 0 -4,-1.8 9,-1.9 -32,-0.1 -32,-0.2 -0.574 60.0 -97.1 -69.0 135.4 -1.7 52.4 25.1 75 75 A L - 0 0 45 -34,-2.4 2,-0.8 -2,-0.2 4,-0.2 -0.201 20.8-122.9 -62.4 143.4 -3.2 55.4 23.3 76 76 A D S S+ 0 0 101 10,-0.2 2,-0.2 6,-0.1 -1,-0.1 -0.794 70.9 103.2 -85.4 109.8 -2.8 59.0 24.4 77 77 A N S S- 0 0 58 -2,-0.8 -75,-0.2 2,-0.3 -36,-0.0 -0.758 85.8 -65.2-159.5-150.9 -6.5 60.1 24.7 78 78 A S S S+ 0 0 93 -2,-0.2 2,-0.3 -77,-0.1 -2,-0.1 0.224 103.5 63.0-105.7 16.6 -9.2 60.7 27.3 79 79 A I S S- 0 0 60 -4,-0.2 -2,-0.3 2,-0.2 -77,-0.2 -0.912 94.8 -22.5-137.7 158.3 -9.7 57.1 28.7 80 80 A G S S- 0 0 14 -79,-0.3 -77,-2.6 -2,-0.3 2,-0.1 -0.007 92.4 -20.0 52.0-133.4 -7.6 54.5 30.5 81 81 A V - 0 0 7 -79,-0.2 2,-0.3 -77,-0.1 -4,-0.2 -0.274 51.4-122.7-104.0-174.3 -3.7 54.4 30.6 82 82 A L - 0 0 10 -79,-0.2 -7,-0.2 -6,-0.1 -74,-0.2 -0.997 18.9-143.5-135.5 136.6 -0.7 55.8 28.6 83 83 A G - 0 0 0 -9,-1.9 -11,-0.3 -2,-0.3 -10,-0.2 -0.393 27.0-112.6 -91.6 174.4 2.1 53.8 27.0 84 84 A V S S+ 0 0 0 -13,-2.1 -11,-0.2 1,-0.3 -12,-0.2 0.919 119.2 24.5 -73.1 -41.0 5.8 54.7 26.6 85 85 A A S > S+ 0 0 0 -13,-3.3 3,-1.6 -14,-0.2 -1,-0.3 -0.755 75.3 176.1-126.1 81.3 5.3 55.0 22.9 86 86 A P T 3 S+ 0 0 2 0, 0.0 -10,-0.2 0, 0.0 -63,-0.1 0.660 80.0 47.8 -59.7 -23.5 1.5 55.8 22.4 87 87 A S T 3 S+ 0 0 55 -65,-2.0 -62,-0.7 -12,-0.1 -61,-0.2 0.242 83.5 126.8-104.8 13.3 1.8 56.3 18.6 88 88 A A < - 0 0 7 -3,-1.6 2,-1.1 -66,-0.4 -61,-0.2 -0.377 69.9-115.9 -69.5 145.2 3.8 53.1 18.0 89 89 A S E -a 27 0A 39 -63,-2.2 -61,-1.9 -66,-0.3 2,-0.3 -0.781 38.0-147.4 -85.9 101.4 2.5 50.6 15.4 90 90 A L E -ac 28 44A 0 -47,-1.1 -45,-2.1 -2,-1.1 -44,-0.9 -0.587 11.5-161.4 -75.0 129.5 1.7 47.7 17.8 91 91 A Y E -ac 29 46A 43 -63,-2.3 -61,-3.1 -2,-0.3 2,-0.9 -0.961 10.0-146.3-119.2 120.5 2.1 44.1 16.3 92 92 A A E +ac 30 47A 0 -46,-2.1 -44,-2.1 -2,-0.5 2,-0.8 -0.754 19.1 177.5 -87.1 103.3 0.5 41.1 18.0 93 93 A V E -ac 31 48A 0 -63,-1.5 -61,-2.6 -2,-0.9 2,-0.8 -0.896 16.8-156.9-108.4 95.5 2.8 38.1 17.5 94 94 A K E +ac 32 49A 0 -46,-2.2 -44,-3.0 -2,-0.8 -43,-0.4 -0.680 38.2 143.0 -79.2 106.2 1.0 35.3 19.4 95 95 A V + 0 0 0 -63,-2.7 8,-0.3 -2,-0.8 2,-0.3 0.411 60.2 65.8-118.9 -6.6 3.5 32.7 20.4 96 96 A L S S- 0 0 13 -64,-1.6 6,-0.2 -3,-0.2 -45,-0.1 -0.867 72.0-142.0-117.5 152.9 1.9 31.9 23.8 97 97 A G > - 0 0 2 4,-2.4 3,-1.7 -2,-0.3 -2,-0.1 -0.198 39.1 -72.5-102.1-165.6 -1.4 30.4 24.5 98 98 A A T 3 S+ 0 0 44 1,-0.3 -65,-0.0 2,-0.1 -2,-0.0 0.762 129.6 50.3 -61.1 -33.1 -4.3 30.7 27.0 99 99 A D T 3 S- 0 0 125 2,-0.2 -1,-0.3 1,-0.0 3,-0.1 0.484 118.0-112.2 -85.4 1.3 -2.3 29.0 29.8 100 100 A G S < S+ 0 0 29 -3,-1.7 2,-0.3 1,-0.3 -2,-0.1 0.431 79.2 126.6 82.3 0.4 0.5 31.5 29.1 101 101 A S + 0 0 68 -5,-0.1 -4,-2.4 -68,-0.0 -1,-0.3 -0.684 32.2 173.2 -92.7 148.0 2.7 28.5 27.9 102 102 A G - 0 0 24 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.1 -0.968 27.4-121.6-149.5 152.3 4.4 28.4 24.6 103 103 A Q >> - 0 0 108 -8,-0.3 4,-2.1 -2,-0.3 3,-0.5 -0.705 27.2-118.1 -94.9 152.7 6.9 26.1 22.8 104 104 A Y H 3> S+ 0 0 60 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.812 114.7 58.8 -60.3 -31.9 10.3 27.3 21.6 105 105 A S H 3> S+ 0 0 69 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.916 108.2 47.0 -63.6 -38.0 9.4 26.5 18.0 106 106 A W H <> S+ 0 0 47 -3,-0.5 4,-1.6 2,-0.2 -2,-0.2 0.906 114.9 45.5 -67.0 -46.1 6.4 28.9 18.3 107 107 A I H X S+ 0 0 7 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.925 113.4 49.3 -62.7 -46.1 8.6 31.6 19.9 108 108 A I H X S+ 0 0 20 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.860 110.9 49.5 -62.1 -41.6 11.3 31.2 17.3 109 109 A N H X S+ 0 0 80 -4,-2.1 4,-1.7 -5,-0.2 -1,-0.2 0.804 109.1 53.8 -67.9 -32.0 8.9 31.3 14.4 110 110 A G H X S+ 0 0 0 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.881 108.8 47.7 -69.0 -38.6 7.4 34.5 16.0 111 111 A I H X S+ 0 0 0 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.876 110.8 52.5 -67.6 -38.5 10.9 36.1 16.1 112 112 A E H X S+ 0 0 71 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.843 108.1 50.3 -63.4 -40.5 11.4 35.0 12.4 113 113 A W H X S+ 0 0 47 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.887 106.1 56.7 -64.5 -41.4 8.1 36.7 11.4 114 114 A A H <>S+ 0 0 0 -4,-1.7 5,-2.1 1,-0.2 -2,-0.2 0.866 108.0 48.5 -58.7 -37.1 9.2 39.8 13.2 115 115 A I H ><5S+ 0 0 13 -4,-1.5 3,-1.3 3,-0.2 -2,-0.2 0.914 110.9 46.0 -70.6 -49.2 12.4 40.0 11.1 116 116 A A H 3<5S+ 0 0 79 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.786 113.0 51.1 -66.5 -28.9 10.9 39.5 7.5 117 117 A N T 3<5S- 0 0 75 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.1 0.019 117.1-119.2 -94.4 20.1 8.1 42.1 8.3 118 118 A N T < 5 - 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