==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 20-MAY-97 1JEA . COMPND 2 MOLECULE: SUBTILISIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS LENTUS; . AUTHOR R.BOTT . 269 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9430.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 187 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 14.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 4.5 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 . 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 . 1 0.4 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 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 63 23.4 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 0 3 2 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 . 3 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 0 123 0, 0.0 2,-0.4 0, 0.0 77,-0.3 0.000 360.0 360.0 360.0 122.0 -1.8 -27.1 -31.6 2 2 A Q - 0 0 51 75,-0.2 2,-0.3 73,-0.1 77,-0.2 -0.848 360.0-160.5-101.0 130.4 -1.7 -27.9 -27.9 3 3 A S - 0 0 59 75,-2.8 77,-0.2 -2,-0.4 74,-0.0 -0.872 15.3-134.7-110.8 155.2 -0.5 -31.3 -26.6 4 4 A V - 0 0 66 -2,-0.3 5,-0.1 75,-0.2 77,-0.1 -0.899 28.7-129.6-104.5 106.2 -1.1 -32.9 -23.2 5 5 A P >> - 0 0 14 0, 0.0 4,-1.5 0, 0.0 3,-0.5 -0.090 25.1-107.3 -53.2 153.3 2.2 -34.3 -21.9 6 6 A W H 3> S+ 0 0 57 192,-0.2 4,-2.1 1,-0.2 193,-0.1 0.845 115.4 52.0 -57.1 -41.2 2.0 -37.9 -20.8 7 7 A G H 3> S+ 0 0 3 2,-0.2 4,-3.6 1,-0.2 -1,-0.2 0.839 103.1 60.5 -67.5 -27.3 2.2 -37.3 -17.0 8 8 A I H <4>S+ 0 0 3 -3,-0.5 5,-2.3 1,-0.2 4,-0.4 0.924 113.4 36.2 -62.3 -43.5 -0.6 -34.8 -17.1 9 9 A S H ><5S+ 0 0 63 -4,-1.5 3,-0.7 3,-0.2 -1,-0.2 0.893 111.9 61.3 -82.2 -22.9 -2.9 -37.4 -18.4 10 10 A R H 3<5S+ 0 0 69 -4,-2.1 -2,-0.2 1,-0.3 -3,-0.2 0.925 108.7 43.3 -63.5 -45.7 -1.2 -40.1 -16.2 11 11 A V T 3<5S- 0 0 0 -4,-3.6 253,-2.0 252,-0.1 254,-0.6 0.538 115.2-124.7 -75.2 -3.0 -2.3 -38.1 -13.2 12 12 A Q T <>5 + 0 0 80 -3,-0.7 4,-1.1 -4,-0.4 3,-0.4 0.846 55.3 153.0 69.0 33.9 -5.7 -37.5 -14.8 13 13 A A H >>< + 0 0 0 -5,-2.3 4,-2.4 1,-0.2 3,-1.1 0.932 67.5 62.2 -60.4 -41.9 -5.8 -33.8 -14.7 14 14 A P H 3> S+ 0 0 41 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.806 97.6 57.7 -53.4 -37.9 -8.1 -33.6 -17.7 15 15 A A H 34 S+ 0 0 34 -3,-0.4 -2,-0.2 1,-0.2 6,-0.1 0.875 111.3 43.2 -55.3 -41.7 -10.8 -35.5 -15.8 16 16 A A H X<>S+ 0 0 0 -4,-1.1 3,-2.2 -3,-1.1 5,-1.8 0.889 108.8 55.5 -72.9 -43.0 -10.6 -32.7 -13.2 17 17 A H H ><5S+ 0 0 23 -4,-2.4 3,-2.2 1,-0.3 -2,-0.2 0.929 102.1 61.0 -55.7 -41.1 -10.5 -29.9 -15.8 18 18 A N T 3<5S+ 0 0 146 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.484 100.5 53.7 -65.1 -7.1 -13.8 -31.5 -17.1 19 19 A R T < 5S- 0 0 98 -3,-2.2 -1,-0.3 2,-0.2 -2,-0.2 0.180 127.8 -93.7-108.4 10.0 -15.5 -30.8 -13.8 20 20 A G T < 5S+ 0 0 52 -3,-2.2 2,-0.8 1,-0.2 -3,-0.2 0.453 85.4 132.1 93.1 0.6 -14.7 -27.0 -13.7 21 21 A L < + 0 0 13 -5,-1.8 -1,-0.2 1,-0.2 -2,-0.2 -0.766 5.7 136.4 -99.0 111.5 -11.4 -27.6 -11.6 22 22 A T S S- 0 0 30 -2,-0.8 63,-2.6 61,-0.1 64,-0.6 0.354 77.7 -95.3-130.6 1.9 -8.5 -25.7 -13.0 23 23 A G > + 0 0 0 1,-0.2 3,-1.9 204,-0.2 64,-0.5 0.518 61.3 173.0 91.1 6.5 -6.8 -24.3 -9.8 24 24 A S T 3 + 0 0 60 1,-0.3 -1,-0.2 62,-0.2 62,-0.2 -0.247 67.0 11.4 -52.3 130.4 -8.5 -20.9 -10.2 25 25 A G T 3 S+ 0 0 48 60,-0.5 2,-0.5 1,-0.2 -1,-0.3 0.554 97.6 123.4 75.3 6.4 -8.0 -18.5 -7.3 26 26 A V < - 0 0 4 -3,-1.9 61,-3.0 59,-0.2 2,-0.5 -0.911 55.2-141.8-100.7 130.2 -5.2 -20.8 -5.8 27 27 A K E -a 87 0A 64 -2,-0.5 91,-2.2 89,-0.2 92,-1.8 -0.873 19.4-175.0 -99.2 125.0 -1.8 -19.2 -5.3 28 28 A V E -ab 88 119A 0 59,-2.8 61,-2.8 -2,-0.5 2,-0.5 -0.983 10.0-158.7-129.1 121.0 1.2 -21.3 -6.0 29 29 A A E -ab 89 120A 0 90,-2.8 92,-3.1 -2,-0.4 2,-0.7 -0.836 5.6-154.3 -99.5 126.5 4.8 -20.2 -5.4 30 30 A V E -ab 90 121A 2 59,-2.3 61,-2.1 -2,-0.5 2,-0.9 -0.941 5.6-160.6-103.6 103.2 7.6 -22.0 -7.4 31 31 A L E +ab 91 122A 0 90,-2.7 92,-0.6 -2,-0.7 2,-0.2 -0.854 53.2 94.5 -85.9 103.2 10.8 -21.8 -5.3 32 32 A D E S-a 92 0A 0 59,-2.0 61,-2.5 -2,-0.9 62,-2.0 -0.736 92.8 -44.6-160.0-151.3 13.4 -22.4 -8.0 33 33 A T S S- 0 0 0 1,-0.3 26,-0.9 -2,-0.2 27,-0.3 0.244 94.6 -86.0 -83.6 8.8 15.7 -20.7 -10.5 34 34 A G - 0 0 1 57,-0.3 2,-0.3 24,-0.2 -1,-0.3 -0.622 40.2 -99.0 113.8-178.9 13.0 -18.1 -11.7 35 35 A I - 0 0 1 21,-2.4 2,-0.3 -2,-0.2 55,-0.1 -0.948 32.0-138.1-138.5 121.4 10.3 -18.4 -14.3 36 36 A S - 0 0 13 -2,-0.3 21,-0.1 21,-0.3 -2,-0.0 -0.610 31.8 -96.9 -82.6 143.3 10.9 -16.9 -17.8 37 38 A T + 0 0 103 -2,-0.3 169,-0.4 2,-0.0 168,-0.3 -0.316 56.1 171.9 -50.3 137.9 8.1 -15.0 -19.6 38 39 A H > - 0 0 9 3,-0.4 3,-1.7 167,-0.1 5,-0.1 -0.974 45.0-122.4-156.1 143.1 6.6 -17.5 -22.0 39 40 A P T 3 S+ 0 0 70 0, 0.0 38,-0.1 0, 0.0 -2,-0.0 0.720 113.5 51.4 -64.3 -18.9 3.4 -17.4 -24.2 40 41 A D T 3 S+ 0 0 0 32,-0.1 33,-2.2 35,-0.0 2,-0.3 0.158 104.0 70.1-102.0 14.9 2.1 -20.5 -22.4 41 42 A L < - 0 0 14 -3,-1.7 2,-0.5 31,-0.2 -3,-0.4 -0.978 59.2-156.2-131.6 152.5 2.5 -19.2 -18.8 42 43 A N - 0 0 75 29,-0.3 46,-0.8 -2,-0.3 2,-0.6 -0.917 16.5-168.7-127.9 94.2 0.8 -16.4 -16.7 43 44 A I E -c 88 0A 42 -2,-0.5 46,-0.2 1,-0.1 3,-0.1 -0.797 5.3-171.3 -87.2 116.4 3.2 -15.3 -14.0 44 45 A R E - 0 0 110 44,-3.3 2,-0.3 -2,-0.6 45,-0.2 0.652 55.4 -59.1 -83.3 -19.2 1.5 -13.1 -11.4 45 46 A G E +c 89 0A 31 43,-0.6 45,-3.6 11,-0.0 2,-0.3 -0.940 55.9 165.3 164.4-164.0 4.5 -11.8 -9.4 46 47 A G E -c 90 0A 30 43,-0.3 2,-0.3 -2,-0.3 45,-0.3 -0.926 25.4-121.8 149.8-169.1 7.3 -13.2 -7.2 47 48 A A E -c 91 0A 24 43,-1.3 45,-2.2 -2,-0.3 2,-0.4 -0.906 15.6-126.9-158.0 163.3 10.6 -12.0 -5.7 48 49 A S E -c 92 0A 26 6,-0.3 45,-0.2 -2,-0.3 8,-0.1 -0.951 16.0-177.4-121.1 140.2 14.3 -13.1 -6.0 49 50 A F + 0 0 45 43,-3.3 44,-0.1 -2,-0.4 58,-0.1 0.016 56.3 107.3-121.4 19.9 16.4 -13.9 -2.9 50 51 A V S > S- 0 0 20 3,-0.4 3,-1.8 42,-0.3 2,-0.1 -0.924 72.0-133.1-102.1 108.2 19.5 -14.6 -5.0 51 52 A P T 3 S+ 0 0 120 0, 0.0 -2,-0.1 0, 0.0 53,-0.0 -0.409 94.6 28.6 -60.1 133.1 22.0 -11.7 -4.5 52 53 A G T 3 S+ 0 0 81 -2,-0.1 3,-0.1 43,-0.0 43,-0.0 0.444 111.4 69.7 94.2 -6.5 23.2 -10.7 -8.0 53 54 A E < + 0 0 44 -3,-1.8 -3,-0.4 39,-0.1 39,-0.1 -0.600 52.9 166.9-142.9 74.2 19.9 -11.8 -9.9 54 55 A P + 0 0 119 0, 0.0 -6,-0.3 0, 0.0 2,-0.2 0.538 55.4 81.2 -66.3 -17.4 17.3 -9.2 -8.8 55 56 A S S S- 0 0 66 2,-0.1 -8,-0.1 -8,-0.1 -2,-0.0 -0.623 75.1-138.9 -94.7 159.7 14.9 -10.3 -11.5 56 57 A T + 0 0 34 -2,-0.2 -21,-2.4 -8,-0.1 2,-0.1 0.242 65.2 119.5 -92.9 0.7 12.7 -13.4 -11.3 57 58 A Q S S- 0 0 74 -23,-0.3 2,-0.7 1,-0.1 -21,-0.3 -0.412 72.2-108.3 -67.5 153.3 13.3 -14.4 -14.9 58 60 A D + 0 0 11 -24,-0.1 -24,-0.2 1,-0.1 -1,-0.1 -0.729 33.4 177.9 -93.7 114.1 14.9 -17.8 -15.3 59 61 A G S S+ 0 0 57 -26,-0.9 -1,-0.1 -2,-0.7 -25,-0.1 0.456 84.9 40.5 -89.0 -0.7 18.5 -18.0 -16.3 60 62 A N S S- 0 0 57 -27,-0.3 -1,-0.1 38,-0.0 -26,-0.1 0.761 92.0-131.2-114.4 -42.1 18.6 -21.8 -16.0 61 63 A G S > S+ 0 0 0 -28,-0.1 4,-2.1 -27,-0.1 5,-0.2 -0.019 80.5 102.4 109.1 -17.3 15.3 -23.2 -17.4 62 64 A H H > S+ 0 0 41 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.948 84.1 41.5 -65.2 -49.2 14.6 -25.5 -14.5 63 65 A G H > S+ 0 0 0 1,-0.2 4,-3.2 2,-0.2 -1,-0.2 0.877 112.5 54.0 -67.1 -39.8 12.0 -23.3 -12.8 64 66 A T H > S+ 0 0 0 2,-0.2 4,-1.6 3,-0.2 138,-0.3 0.904 111.4 48.4 -59.8 -37.2 10.3 -22.4 -16.2 65 67 A H H X S+ 0 0 0 -4,-2.1 4,-1.5 2,-0.2 3,-0.4 0.979 113.6 44.9 -65.0 -52.5 10.0 -26.2 -16.7 66 68 A V H >X S+ 0 0 0 -4,-2.8 4,-1.5 1,-0.3 3,-0.6 0.935 110.6 55.1 -59.6 -47.6 8.6 -26.9 -13.3 67 69 A A H 3X S+ 0 0 0 -4,-3.2 4,-2.5 1,-0.3 -1,-0.3 0.838 103.9 53.5 -57.1 -40.1 6.2 -24.0 -13.6 68 70 A G H 3X S+ 0 0 1 -4,-1.6 4,-2.0 -3,-0.4 -1,-0.3 0.821 101.7 58.9 -67.4 -29.0 4.7 -25.3 -16.8 69 71 A T H << S+ 0 0 4 -4,-1.5 13,-2.3 -3,-0.6 14,-0.2 0.914 113.7 40.1 -64.5 -38.3 4.0 -28.7 -15.3 70 72 A I H < S- 0 0 0 -4,-1.5 13,-3.3 11,-0.2 -2,-0.2 0.944 138.3 -0.1 -70.1 -53.7 1.8 -26.9 -12.7 71 73 A A H < + 0 0 3 -4,-2.5 -29,-0.3 10,-0.2 -3,-0.2 0.055 64.5 158.6-138.6 33.6 0.1 -24.3 -14.8 72 74 A A < - 0 0 0 -4,-2.0 9,-2.5 1,-0.1 -31,-0.2 -0.502 58.8 -98.7 -60.3 133.0 0.9 -24.1 -18.6 73 75 A L - 0 0 46 -33,-2.2 2,-0.9 7,-0.2 4,-0.2 -0.125 24.4-125.1 -60.4 145.3 -2.2 -22.3 -20.0 74 76 A N S S+ 0 0 99 10,-0.2 2,-0.2 -3,-0.1 -1,-0.1 -0.840 70.0 103.2 -91.6 103.0 -5.0 -24.3 -21.5 75 77 A N S S- 0 0 61 -2,-0.9 -73,-0.1 2,-0.4 -35,-0.0 -0.693 88.9 -62.0-155.3-147.3 -5.3 -22.7 -25.0 76 78 A S S S+ 0 0 92 -2,-0.2 2,-0.3 -75,-0.1 -2,-0.1 0.263 103.9 64.3-102.2 11.8 -4.2 -23.6 -28.6 77 79 A I S S- 0 0 71 -4,-0.2 -2,-0.4 2,-0.2 -75,-0.2 -0.852 91.7 -14.8-129.5 170.4 -0.4 -23.7 -28.1 78 80 A G S S- 0 0 12 -77,-0.3 -75,-2.8 -2,-0.3 2,-0.1 -0.192 94.1 -35.7 49.8-126.5 2.3 -25.6 -26.3 79 81 A V - 0 0 2 -77,-0.2 2,-0.4 -39,-0.1 -4,-0.3 -0.250 52.7-109.6-118.1-164.0 1.4 -27.8 -23.4 80 82 A L - 0 0 9 -77,-0.2 -7,-0.2 -2,-0.1 2,-0.1 -0.978 18.7-141.9-143.2 132.8 -1.0 -28.1 -20.5 81 83 A G - 0 0 0 -9,-2.5 -11,-0.2 -2,-0.4 -10,-0.2 -0.349 25.8-118.4 -88.6 163.9 -0.6 -27.8 -16.8 82 84 A V S S+ 0 0 0 -13,-2.3 -11,-0.2 1,-0.3 -12,-0.2 0.929 117.4 23.2 -62.8 -43.0 -2.3 -29.8 -14.0 83 85 A A S > S+ 0 0 0 -13,-3.3 3,-1.9 -14,-0.2 -1,-0.3 -0.740 75.5 175.2-124.0 75.1 -3.9 -26.5 -12.7 84 86 A P T 3 S+ 0 0 7 0, 0.0 -10,-0.2 0, 0.0 -61,-0.2 0.642 79.0 49.0 -64.6 -13.3 -3.8 -24.2 -15.8 85 87 A S T 3 S+ 0 0 45 -63,-2.6 -60,-0.5 -12,-0.1 -62,-0.2 0.320 81.1 126.2-102.5 -2.1 -5.7 -21.4 -13.9 86 88 A A < - 0 0 4 -3,-1.9 2,-0.9 -64,-0.6 -62,-0.2 -0.220 69.1-114.8 -54.1 145.2 -3.5 -21.4 -10.8 87 89 A E E -a 27 0A 40 -61,-3.0 -59,-2.8 -64,-0.5 2,-0.4 -0.672 37.8-152.7 -81.9 114.0 -2.0 -18.0 -9.9 88 90 A L E -ac 28 43A 1 -2,-0.9 -44,-3.3 -46,-0.8 -43,-0.6 -0.726 14.2-170.3 -98.8 130.5 1.7 -18.5 -10.3 89 91 A Y E -ac 29 45A 33 -61,-2.8 -59,-2.3 -2,-0.4 2,-0.9 -0.968 18.6-137.6-119.9 130.7 4.4 -16.6 -8.4 90 92 A A E -ac 30 46A 0 -45,-3.6 -43,-1.3 -2,-0.4 2,-0.6 -0.803 21.9-178.5 -91.1 107.4 8.0 -16.8 -9.3 91 93 A V E -ac 31 47A 0 -61,-2.1 -59,-2.0 -2,-0.9 2,-0.7 -0.927 13.9-154.3-106.9 108.5 10.2 -17.1 -6.2 92 94 A K E +ac 32 48A 3 -45,-2.2 -43,-3.3 -2,-0.6 -42,-0.3 -0.713 38.2 142.9 -90.5 108.7 13.9 -17.2 -7.1 93 95 A V + 0 0 0 -61,-2.5 2,-0.4 -2,-0.7 8,-0.3 0.366 63.2 62.4-123.1 -10.2 15.9 -19.0 -4.5 94 96 A L S S- 0 0 12 -62,-2.0 6,-0.2 6,-0.1 -1,-0.2 -0.980 78.2-133.4-121.5 138.6 18.3 -20.7 -6.9 95 97 A G > - 0 0 6 4,-2.2 3,-2.2 -2,-0.4 -2,-0.1 -0.141 38.1 -86.8 -80.3 176.7 20.7 -18.9 -9.3 96 98 A A T 3 S+ 0 0 43 1,-0.3 -63,-0.1 2,-0.2 -1,-0.1 0.781 127.3 63.2 -52.8 -35.1 21.4 -19.5 -13.0 97 99 A S T 3 S- 0 0 99 2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.676 117.6-116.9 -67.8 -18.3 23.9 -22.1 -12.0 98 100 A G S < S+ 0 0 30 -3,-2.2 2,-0.3 1,-0.3 -2,-0.2 0.307 81.2 98.4 94.0 2.2 21.0 -24.0 -10.5 99 101 A S + 0 0 81 -66,-0.1 -4,-2.2 25,-0.0 -1,-0.3 -0.831 42.7 171.5-116.5 159.1 22.2 -23.9 -6.9 100 102 A G - 0 0 42 -2,-0.3 2,-0.2 -6,-0.2 -6,-0.1 -0.891 32.1 -96.0-147.0-179.6 21.3 -21.6 -4.0 101 103 A S > - 0 0 55 -8,-0.3 4,-2.3 -2,-0.3 5,-0.2 -0.604 30.4-116.6 -97.8 162.7 21.8 -21.3 -0.2 102 104 A V H > S+ 0 0 64 1,-0.2 4,-3.6 2,-0.2 5,-0.2 0.796 116.9 62.0 -67.1 -28.5 19.4 -22.4 2.6 103 105 A S H > S+ 0 0 68 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.967 104.8 43.2 -61.0 -50.8 19.2 -18.8 3.4 104 106 A S H > S+ 0 0 9 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.902 116.2 49.1 -63.6 -41.8 17.7 -17.9 0.0 105 107 A I H X S+ 0 0 17 -4,-2.3 4,-1.8 -12,-0.2 -2,-0.2 0.927 112.3 47.4 -65.5 -44.4 15.4 -21.0 0.2 106 108 A A H X S+ 0 0 4 -4,-3.6 4,-1.5 1,-0.2 -2,-0.2 0.930 110.6 52.6 -63.4 -40.6 14.3 -20.1 3.7 107 109 A Q H X S+ 0 0 75 -4,-2.7 4,-2.5 -5,-0.2 -1,-0.2 0.816 106.8 54.2 -59.6 -35.5 13.7 -16.4 2.7 108 110 A G H X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.865 109.7 45.7 -65.7 -38.5 11.5 -17.7 -0.2 109 111 A L H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.786 110.8 53.3 -73.0 -30.0 9.3 -19.7 2.1 110 112 A E H X S+ 0 0 86 -4,-1.5 4,-2.8 2,-0.2 -2,-0.2 0.958 110.2 48.2 -66.3 -50.2 9.1 -16.8 4.5 111 113 A W H X S+ 0 0 40 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.904 110.6 51.5 -53.0 -45.7 8.0 -14.7 1.6 112 114 A A H <>S+ 0 0 0 -4,-2.2 5,-2.2 1,-0.2 3,-0.4 0.942 110.9 47.4 -62.6 -46.2 5.4 -17.4 0.6 113 115 A G H ><5S+ 0 0 9 -4,-2.3 3,-0.9 1,-0.2 -1,-0.2 0.881 113.7 47.9 -62.7 -39.7 4.0 -17.5 4.1 114 116 A N H 3<5S+ 0 0 132 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.650 111.1 51.9 -74.4 -21.4 3.8 -13.7 4.3 115 117 A N T 3<5S- 0 0 72 -4,-1.5 -1,-0.2 -3,-0.4 -2,-0.2 0.202 112.3-110.8-107.2 18.4 2.1 -13.4 0.9 116 118 A G T < 5 + 0 0 42 -3,-0.9 -89,-0.2 1,-0.2 2,-0.2 0.710 51.0 173.1 61.9 36.2 -0.7 -15.9 1.4 117 119 A M < - 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