==== 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 02-AUG-99 1C9J . COMPND 2 MOLECULE: SERINE PROTEASE; . 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) . 9416.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 189 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 13.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 5.2 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 . 23 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 64 23.8 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 4 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 0 123 0, 0.0 2,-0.4 0, 0.0 77,-0.3 0.000 360.0 360.0 360.0 141.0 -2.1 -26.9 -31.4 2 2 A Q - 0 0 52 75,-0.2 2,-0.3 73,-0.1 77,-0.2 -0.877 360.0-157.4 -97.7 141.2 -1.9 -27.7 -27.7 3 3 A S - 0 0 59 75,-3.2 77,-0.1 -2,-0.4 74,-0.0 -0.854 13.0-135.0-115.2 155.7 -0.5 -31.1 -26.6 4 4 A V - 0 0 65 -2,-0.3 5,-0.1 75,-0.2 77,-0.1 -0.915 26.0-130.7-105.7 104.4 -1.1 -32.9 -23.3 5 5 A P >> - 0 0 11 0, 0.0 4,-1.6 0, 0.0 3,-0.7 -0.269 23.4-112.7 -53.6 147.7 2.2 -34.3 -21.9 6 6 A W H 3> S+ 0 0 57 1,-0.2 4,-2.9 192,-0.2 5,-0.1 0.848 115.1 57.4 -53.5 -39.1 1.9 -37.9 -20.8 7 7 A G H 3> S+ 0 0 3 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.861 102.9 54.1 -58.3 -38.6 2.4 -37.0 -17.0 8 8 A I H <4>S+ 0 0 2 -3,-0.7 5,-1.9 2,-0.2 -1,-0.2 0.916 113.7 40.8 -65.3 -46.7 -0.6 -34.7 -17.1 9 9 A S H ><5S+ 0 0 65 -4,-1.6 3,-1.4 3,-0.2 -2,-0.2 0.927 109.4 61.6 -73.0 -31.3 -2.9 -37.4 -18.4 10 10 A R H 3<5S+ 0 0 70 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.856 106.8 44.1 -57.2 -44.3 -1.2 -40.0 -16.1 11 11 A V T 3<5S- 0 0 0 -4,-2.4 253,-2.5 252,-0.1 254,-0.7 0.442 114.3-121.7 -81.8 2.7 -2.4 -38.0 -13.0 12 12 A Q T X>5 + 0 0 76 -3,-1.4 4,-1.1 -4,-0.2 3,-0.6 0.740 58.7 151.3 65.6 29.7 -5.8 -37.6 -14.7 13 13 A A H >>< + 0 0 0 -5,-1.9 4,-2.3 1,-0.2 3,-0.9 0.925 66.5 60.0 -55.4 -45.4 -5.8 -33.8 -14.6 14 14 A P H 3> S+ 0 0 37 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.840 99.8 55.5 -55.8 -33.7 -8.1 -33.6 -17.8 15 15 A A H <4 S+ 0 0 33 -3,-0.6 4,-0.4 1,-0.2 -2,-0.2 0.886 110.3 46.5 -66.1 -37.3 -10.9 -35.5 -16.0 16 16 A A H X<>S+ 0 0 0 -4,-1.1 5,-2.1 -3,-0.9 3,-1.6 0.912 109.2 53.0 -72.3 -42.7 -10.8 -32.9 -13.3 17 17 A H H ><5S+ 0 0 23 -4,-2.3 3,-2.1 1,-0.3 -2,-0.2 0.871 102.7 60.8 -61.4 -34.1 -10.7 -30.0 -15.7 18 18 A N T 3<5S+ 0 0 139 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.697 102.3 51.0 -67.0 -16.5 -13.8 -31.5 -17.3 19 19 A R T < 5S- 0 0 108 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.225 128.6 -99.0 -95.9 8.6 -15.6 -31.1 -14.0 20 20 A G T < 5S+ 0 0 45 -3,-2.1 2,-0.8 1,-0.2 -3,-0.2 0.595 80.4 134.5 88.0 8.9 -14.6 -27.4 -13.9 21 21 A L < + 0 0 14 -5,-2.1 -1,-0.2 1,-0.2 -2,-0.2 -0.869 9.5 142.1 -98.5 117.9 -11.6 -27.8 -11.5 22 22 A T S S- 0 0 30 -2,-0.8 63,-2.3 61,-0.1 64,-0.5 0.341 73.3 -96.1-130.9 -2.7 -8.7 -25.8 -12.9 23 23 A G > + 0 0 0 1,-0.2 3,-2.1 203,-0.2 64,-0.4 0.533 60.4 172.2 95.9 3.2 -7.0 -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 -0.285 66.9 9.9 -52.5 130.3 -8.8 -21.0 -10.1 25 25 A G T 3 S+ 0 0 44 60,-0.6 2,-0.5 1,-0.2 -1,-0.3 0.476 96.6 123.9 76.9 6.6 -8.1 -18.7 -7.1 26 26 A V < - 0 0 3 -3,-2.1 61,-2.7 59,-0.2 2,-0.6 -0.883 55.4-141.2-101.1 131.5 -5.4 -20.9 -5.6 27 27 A R E -a 87 0A 73 -2,-0.5 91,-2.4 89,-0.2 92,-1.8 -0.764 20.6-173.9 -99.7 120.9 -2.1 -19.2 -5.1 28 28 A V E -ab 88 119A 0 59,-3.0 61,-2.9 -2,-0.6 2,-0.5 -0.953 10.2-158.9-120.6 126.3 1.0 -21.2 -6.0 29 29 A A E -ab 89 120A 0 90,-3.0 92,-3.0 -2,-0.5 2,-0.7 -0.874 5.1-154.9-105.3 132.2 4.6 -20.3 -5.4 30 30 A V E -ab 90 121A 1 59,-2.3 61,-2.5 -2,-0.5 2,-1.0 -0.931 7.6-161.4-105.0 104.8 7.4 -22.0 -7.4 31 31 A L E +ab 91 122A 0 90,-2.7 92,-1.4 -2,-0.7 93,-0.3 -0.818 52.2 88.6 -90.9 102.4 10.6 -21.8 -5.3 32 32 A D E S-a 92 0A 1 59,-1.7 61,-2.6 -2,-1.0 62,-1.7 -0.715 94.5 -38.6-161.3-141.4 13.3 -22.3 -7.9 33 33 A T S S- 0 0 2 1,-0.3 26,-0.6 -2,-0.2 27,-0.3 0.303 95.8 -86.1 -89.6 4.1 15.6 -20.5 -10.4 34 34 A G - 0 0 1 57,-0.3 2,-0.4 -4,-0.2 -1,-0.3 -0.629 40.6 -97.1 116.8-176.4 12.8 -18.0 -11.5 35 35 A I - 0 0 1 21,-2.7 2,-0.3 -2,-0.2 55,-0.1 -0.938 31.5-138.4-139.5 119.5 10.1 -18.2 -14.1 36 36 A S - 0 0 12 -2,-0.4 21,-0.1 21,-0.2 -2,-0.0 -0.564 30.8 -99.7 -81.2 140.9 10.6 -16.7 -17.6 37 38 A T + 0 0 101 -2,-0.3 169,-0.3 2,-0.1 168,-0.3 -0.403 55.5 171.9 -46.6 134.4 7.8 -14.9 -19.4 38 39 A H > - 0 0 8 3,-0.4 3,-1.9 167,-0.1 5,-0.1 -0.979 45.3-120.8-154.3 145.6 6.3 -17.4 -21.8 39 40 A P T 3 S+ 0 0 68 0, 0.0 38,-0.1 0, 0.0 -2,-0.1 0.669 114.2 51.6 -66.7 -15.8 3.2 -17.4 -24.0 40 41 A D T 3 S+ 0 0 0 32,-0.0 33,-2.4 35,-0.0 2,-0.3 0.163 103.2 69.2-105.1 15.3 1.9 -20.5 -22.3 41 42 A L < - 0 0 15 -3,-1.9 2,-0.5 31,-0.2 -3,-0.4 -0.968 59.9-154.8-128.4 154.3 2.3 -19.1 -18.7 42 43 A N - 0 0 74 -2,-0.3 46,-0.7 29,-0.3 2,-0.7 -0.932 18.3-165.9-125.5 98.0 0.5 -16.3 -16.7 43 44 A I E -c 88 0A 44 -2,-0.5 46,-0.2 1,-0.1 3,-0.1 -0.846 7.4-172.9 -92.4 116.5 2.9 -15.1 -14.0 44 45 A R E - 0 0 112 44,-2.8 2,-0.3 -2,-0.7 45,-0.2 0.723 54.9 -55.7 -82.4 -24.6 1.1 -13.0 -11.4 45 46 A G E +c 89 0A 30 43,-0.8 45,-2.9 2,-0.0 2,-0.3 -0.968 55.3 167.8 171.2-168.1 4.1 -11.8 -9.3 46 47 A G E -c 90 0A 33 -2,-0.3 2,-0.3 43,-0.3 45,-0.2 -0.957 23.7-118.3 154.8-174.4 7.1 -12.9 -7.3 47 48 A A E -c 91 0A 20 43,-1.6 45,-2.3 -2,-0.3 2,-0.4 -0.956 15.5-133.1-156.4 152.7 10.3 -11.9 -5.6 48 49 A S E +c 92 0A 29 6,-0.3 45,-0.2 -2,-0.3 8,-0.1 -0.963 16.1 179.7-117.5 134.1 14.0 -12.7 -6.0 49 50 A F + 0 0 43 43,-2.9 44,-0.1 -2,-0.4 58,-0.1 -0.027 54.0 107.6-114.5 19.2 16.1 -13.6 -3.0 50 51 A V B > -J 53 0B 18 3,-0.5 3,-2.1 5,-0.1 44,-0.1 -0.934 68.9-136.3-105.9 113.1 19.2 -14.1 -5.1 51 52 A P T 3 S+ 0 0 115 0, 0.0 -2,-0.1 0, 0.0 44,-0.0 -0.396 96.4 28.9 -57.1 134.5 21.8 -11.3 -4.6 52 53 A G T 3 S+ 0 0 81 -2,-0.1 3,-0.1 43,-0.0 43,-0.0 0.264 113.6 67.7 98.5 -20.6 23.0 -10.5 -8.1 53 54 A E B < +J 50 0B 44 -3,-2.1 -3,-0.5 1,-0.1 39,-0.1 -0.665 51.4 165.6-141.5 76.1 19.7 -11.5 -9.8 54 55 A P + 0 0 118 0, 0.0 -6,-0.3 0, 0.0 2,-0.2 0.665 57.0 81.4 -66.9 -19.7 17.0 -9.0 -8.7 55 56 A S S S- 0 0 60 1,-0.1 -5,-0.1 -3,-0.1 -8,-0.1 -0.584 76.0-138.0 -86.2 157.4 14.7 -10.1 -11.5 56 57 A T + 0 0 31 -2,-0.2 -21,-2.7 -8,-0.1 -1,-0.1 0.252 66.6 120.4 -91.8 3.4 12.4 -13.2 -11.3 57 58 A Q - 0 0 74 -23,-0.2 2,-0.7 1,-0.1 -21,-0.2 -0.382 69.0-115.0 -70.3 150.5 13.2 -14.2 -14.9 58 60 A D + 0 0 10 -24,-0.1 -24,-0.2 1,-0.1 -22,-0.1 -0.799 33.1 175.6 -98.9 119.2 14.8 -17.6 -15.2 59 61 A G S S+ 0 0 58 -2,-0.7 -1,-0.1 -26,-0.6 -25,-0.1 0.308 83.3 47.4 -92.7 3.9 18.4 -17.9 -16.4 60 62 A N S S- 0 0 59 -27,-0.3 -1,-0.1 38,-0.0 -26,-0.1 0.805 91.3-133.7-111.9 -48.5 18.4 -21.6 -15.9 61 63 A G S > S+ 0 0 0 -28,-0.1 4,-2.2 -27,-0.1 5,-0.2 -0.084 80.5 97.6 118.4 -30.7 15.3 -23.1 -17.3 62 64 A H H > S+ 0 0 44 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.924 83.1 46.3 -56.2 -51.2 14.4 -25.3 -14.4 63 65 A G H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.883 111.6 51.9 -60.6 -39.8 11.8 -23.0 -12.7 64 66 A T H > S+ 0 0 0 2,-0.2 4,-1.6 1,-0.2 138,-0.3 0.898 110.8 49.2 -66.2 -37.4 10.1 -22.3 -16.0 65 67 A H H X S+ 0 0 0 -4,-2.2 4,-1.6 2,-0.2 137,-0.3 0.956 111.8 47.5 -64.9 -51.7 9.8 -26.0 -16.6 66 68 A V H X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 3,-0.3 0.930 110.3 53.9 -53.3 -52.1 8.4 -26.7 -13.1 67 69 A A H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.881 105.1 53.5 -57.0 -38.0 5.9 -23.8 -13.5 68 70 A G H X S+ 0 0 1 -4,-1.6 4,-2.2 -3,-0.3 -1,-0.2 0.840 103.9 54.7 -71.3 -27.7 4.5 -25.2 -16.8 69 71 A T H < S+ 0 0 4 -4,-1.6 13,-2.9 -3,-0.3 14,-0.2 0.923 115.4 41.5 -69.9 -38.5 3.8 -28.6 -15.2 70 72 A I H < S- 0 0 0 -4,-1.7 13,-3.1 11,-0.2 -2,-0.2 0.937 138.8 -1.9 -68.1 -54.9 1.7 -26.8 -12.6 71 73 A A H < + 0 0 4 -4,-2.9 -29,-0.3 -5,-0.2 -3,-0.2 0.156 64.7 159.3-141.9 38.1 -0.1 -24.3 -14.8 72 74 A A < - 0 0 0 -4,-2.2 9,-2.8 1,-0.1 -31,-0.2 -0.330 58.1 -96.9 -61.3 138.0 0.7 -24.1 -18.5 73 75 A L - 0 0 44 -33,-2.4 2,-1.0 7,-0.2 4,-0.2 -0.308 23.3-122.2 -66.5 142.2 -2.4 -22.3 -19.9 74 76 A N S S+ 0 0 101 10,-0.2 2,-0.2 -3,-0.1 6,-0.1 -0.803 71.6 101.2 -85.3 95.9 -5.3 -24.2 -21.4 75 77 A N S S- 0 0 58 -2,-1.0 -73,-0.1 2,-0.4 -35,-0.0 -0.583 88.0 -63.9-151.4-149.2 -5.4 -22.6 -24.9 76 78 A S S S+ 0 0 96 -2,-0.2 2,-0.3 -75,-0.1 -2,-0.1 0.209 103.3 62.7-102.2 11.8 -4.4 -23.5 -28.5 77 79 A I S S- 0 0 68 -4,-0.2 -2,-0.4 2,-0.2 -75,-0.2 -0.847 92.4 -14.7-133.7 166.3 -0.6 -23.6 -28.0 78 80 A G S S- 0 0 12 -77,-0.3 -75,-3.2 -2,-0.3 2,-0.1 -0.142 94.6 -33.8 52.6-127.7 2.1 -25.5 -26.2 79 81 A V - 0 0 2 -77,-0.2 2,-0.3 -39,-0.1 -4,-0.3 -0.271 51.4-115.3-119.5-164.1 1.2 -27.7 -23.3 80 82 A L - 0 0 10 -2,-0.1 -7,-0.2 -6,-0.1 2,-0.1 -0.965 20.9-141.7-141.0 128.0 -1.3 -27.9 -20.5 81 83 A G - 0 0 0 -9,-2.8 -11,-0.2 -2,-0.3 -10,-0.2 -0.373 27.7-112.1 -82.9 170.6 -0.6 -27.8 -16.7 82 84 A V S S+ 0 0 0 -13,-2.9 -11,-0.2 1,-0.3 -12,-0.2 0.909 118.5 24.1 -61.6 -40.0 -2.4 -29.8 -14.0 83 85 A A S > S+ 0 0 0 -13,-3.1 3,-1.9 -14,-0.2 -1,-0.3 -0.735 74.3 176.4-127.8 77.7 -4.0 -26.6 -12.7 84 86 A P T 3 S+ 0 0 8 0, 0.0 -10,-0.2 0, 0.0 -61,-0.2 0.639 79.1 49.3 -64.4 -14.2 -4.0 -24.2 -15.7 85 87 A S T 3 S+ 0 0 49 -63,-2.3 -60,-0.6 -12,-0.1 -62,-0.2 0.260 80.2 125.1-103.2 1.0 -6.0 -21.5 -13.8 86 88 A A S < S- 0 0 4 -3,-1.9 2,-0.9 -64,-0.5 -59,-0.2 -0.347 70.8-111.8 -63.4 147.7 -3.8 -21.4 -10.6 87 89 A E E -a 27 0A 42 -61,-2.7 -59,-3.0 -64,-0.4 2,-0.4 -0.738 39.9-149.9 -82.0 106.9 -2.3 -18.0 -9.7 88 90 A L E -ac 28 43A 1 -2,-0.9 -44,-2.8 -46,-0.7 -43,-0.8 -0.718 15.5-170.7 -88.5 127.9 1.4 -18.5 -10.3 89 91 A Y E -ac 29 45A 29 -61,-2.9 -59,-2.3 -2,-0.4 2,-0.7 -0.966 17.6-139.9-118.0 133.3 4.1 -16.7 -8.3 90 92 A A E -ac 30 46A 0 -45,-2.9 -43,-1.6 -2,-0.4 2,-0.7 -0.818 20.2-178.0 -91.9 110.2 7.8 -16.8 -9.3 91 93 A V E -ac 31 47A 0 -61,-2.5 -59,-1.7 -2,-0.7 2,-0.7 -0.876 13.2-156.5-112.7 98.2 9.9 -17.1 -6.1 92 94 A K E +ac 32 48A 5 -45,-2.3 -43,-2.9 -2,-0.7 -59,-0.2 -0.568 35.6 145.5 -82.1 110.1 13.6 -17.0 -7.1 93 95 A V + 0 0 0 -61,-2.6 2,-0.4 -2,-0.7 -60,-0.2 0.463 61.7 58.2-120.2 -8.7 15.7 -18.7 -4.5 94 96 A L S S- 0 0 14 -62,-1.7 6,-0.2 6,-0.1 -1,-0.2 -0.979 79.5-130.0-122.6 142.6 18.3 -20.3 -6.7 95 97 A G > - 0 0 7 4,-3.4 3,-2.6 -2,-0.4 -2,-0.1 -0.170 40.3 -84.9 -85.8 177.6 20.6 -18.5 -9.2 96 98 A A T 3 S+ 0 0 38 1,-0.3 -63,-0.1 2,-0.1 -1,-0.1 0.799 128.4 60.4 -51.2 -34.9 21.1 -19.3 -12.9 97 99 A S T 3 S- 0 0 102 2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.642 119.5-112.6 -71.1 -9.3 23.8 -21.8 -12.0 98 100 A G S < S+ 0 0 31 -3,-2.6 2,-0.2 1,-0.3 -2,-0.1 0.212 81.7 102.2 95.1 -6.6 21.0 -23.7 -10.1 99 101 A S + 0 0 80 -5,-0.1 -4,-3.4 -66,-0.0 -1,-0.3 -0.538 34.0 150.7-106.3 171.2 22.5 -23.1 -6.5 100 102 A G - 0 0 44 -6,-0.2 -6,-0.1 -2,-0.2 2,-0.1 -0.943 43.4 -76.9-178.9 170.4 21.7 -20.7 -3.6 101 103 A S > - 0 0 57 -2,-0.3 4,-1.8 1,-0.1 5,-0.1 -0.384 30.4-120.9 -82.7 160.2 21.9 -20.6 0.3 102 104 A Y H > S+ 0 0 87 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.770 118.7 62.2 -65.1 -28.9 19.6 -22.2 2.8 103 105 A S H > S+ 0 0 68 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.903 102.6 45.2 -62.9 -47.0 19.2 -18.6 3.8 104 106 A S H > S+ 0 0 7 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.879 113.3 49.9 -64.7 -43.0 17.7 -17.6 0.4 105 107 A I H X S+ 0 0 10 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.868 110.1 51.7 -62.3 -40.1 15.3 -20.6 0.3 106 108 A A H X S+ 0 0 4 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.928 108.5 50.9 -64.6 -44.2 14.2 -19.7 3.9 107 109 A Q H X S+ 0 0 80 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.870 108.2 52.7 -59.0 -40.5 13.5 -16.1 2.8 108 110 A G H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.893 110.3 47.7 -66.2 -39.1 11.4 -17.5 -0.1 109 111 A L H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.883 111.1 50.3 -68.0 -37.2 9.3 -19.7 2.3 110 112 A E H X S+ 0 0 89 -4,-2.4 4,-3.2 1,-0.2 5,-0.2 0.961 109.7 51.9 -61.6 -45.6 8.8 -16.7 4.6 111 113 A W H X S+ 0 0 42 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.926 107.9 51.8 -53.3 -48.9 7.7 -14.7 1.6 112 114 A A H <>S+ 0 0 0 -4,-2.3 5,-2.4 1,-0.2 -1,-0.2 0.933 112.7 43.7 -58.0 -46.9 5.2 -17.4 0.7 113 115 A G H ><5S+ 0 0 10 -4,-2.2 3,-1.2 1,-0.2 -2,-0.2 0.915 114.3 51.1 -69.2 -33.8 3.7 -17.5 4.1 114 116 A N H 3<5S+ 0 0 117 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.704 111.6 49.3 -75.2 -18.2 3.7 -13.7 4.3 115 117 A N T 3<5S- 0 0 64 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.224 113.1-112.0-110.4 21.4 1.9 -13.5 1.0 116 118 A G T < 5 + 0 0 40 -3,-1.2 -89,-0.2 1,-0.2 2,-0.2 0.793 51.4 171.6 56.0 38.8 -0.9 -15.9 1.6 117 119 A M < - 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