==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SERINE PROTEASE 20-MAY-98 1BE8 . COMPND 2 MOLECULE: SUBTILISIN CARLSBERG; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS LICHENIFORMIS; . AUTHOR J.L.SCHMITKE,L.J.STERN,A.M.KLIBANOV . 274 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10140.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 187 68.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 13.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 4.4 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 . 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 . 27 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 64 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 3 0 1 0 0 0 2 0 0 2 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 2 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 . 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 0 125 0, 0.0 78,-0.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 145.4 14.4 3.4 28.8 2 2 A Q - 0 0 52 76,-0.2 2,-0.3 74,-0.2 78,-0.2 -0.847 360.0-144.2-103.9 130.2 15.0 5.0 25.5 3 3 A T B -a 80 0A 70 76,-3.2 78,-0.5 -2,-0.4 75,-0.1 -0.693 2.9-146.7 -95.7 144.9 14.9 3.3 22.1 4 4 A V - 0 0 75 -2,-0.3 76,-0.1 76,-0.2 78,-0.1 -0.909 21.8-133.3-112.2 101.5 17.1 4.0 19.2 5 5 A P > - 0 0 12 0, 0.0 3,-2.4 0, 0.0 199,-0.1 -0.261 21.3-117.2 -55.4 138.8 15.2 3.5 15.9 6 6 A Y T 3> S+ 0 0 62 1,-0.3 4,-2.0 2,-0.2 5,-0.1 0.734 110.2 71.8 -48.5 -25.7 17.2 1.5 13.3 7 7 A G H 3> S+ 0 0 2 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.781 88.2 61.0 -64.5 -29.1 17.1 4.5 11.1 8 8 A I H <4>S+ 0 0 2 -3,-2.4 5,-2.6 2,-0.2 6,-0.7 0.960 112.5 32.6 -66.2 -55.1 19.6 6.5 13.3 9 9 A P H >45S+ 0 0 50 0, 0.0 3,-1.8 0, 0.0 -2,-0.2 0.894 112.2 64.5 -71.2 -34.4 22.6 4.1 13.0 10 10 A L H 3<5S+ 0 0 46 -4,-2.0 -2,-0.2 1,-0.3 -3,-0.1 0.878 109.4 38.4 -54.3 -41.5 21.7 3.1 9.5 11 11 A I T 3<5S- 0 0 0 -4,-1.5 258,-2.0 -5,-0.1 259,-0.5 0.365 116.9-118.1 -90.1 5.0 22.3 6.6 8.2 12 12 A K T <>5S+ 0 0 68 -3,-1.8 4,-0.9 256,-0.2 -2,-0.1 0.804 70.8 138.5 64.9 31.9 25.2 6.9 10.6 13 13 A A H >< + 0 0 0 -5,-2.6 4,-2.2 -6,-0.2 5,-0.2 0.756 64.4 63.4 -76.4 -26.7 23.6 9.8 12.6 14 14 A D H > S+ 0 0 63 -6,-0.7 4,-2.2 1,-0.2 -1,-0.2 0.851 98.6 54.3 -65.9 -35.2 24.8 8.2 15.9 15 15 A K H > S+ 0 0 93 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.896 110.4 46.0 -67.2 -38.7 28.4 8.6 14.9 16 16 A V H ><>S+ 0 0 1 -4,-0.9 5,-1.6 2,-0.2 3,-0.7 0.905 111.6 50.7 -70.5 -41.5 27.9 12.4 14.2 17 17 A Q H ><5S+ 0 0 15 -4,-2.2 3,-2.8 1,-0.3 -2,-0.2 0.923 104.5 58.3 -60.7 -45.8 26.0 12.9 17.5 18 18 A A H 3<5S+ 0 0 89 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.746 98.4 60.2 -55.7 -26.2 28.7 11.2 19.4 19 19 A Q T <<5S- 0 0 90 -3,-0.7 -1,-0.3 -4,-0.7 -2,-0.2 0.609 127.8-103.4 -77.4 -11.5 31.1 13.8 18.0 20 20 A G T < 5S+ 0 0 55 -3,-2.8 2,-0.8 -4,-0.3 -3,-0.2 0.343 84.2 125.8 106.6 -4.7 28.9 16.3 19.8 21 21 A F < + 0 0 64 -5,-1.6 -1,-0.2 1,-0.1 -2,-0.2 -0.784 15.9 149.7 -94.2 108.9 27.0 17.6 16.8 22 22 A K S S- 0 0 44 -2,-0.8 64,-2.2 213,-0.1 65,-0.3 0.053 72.2 -90.0-125.4 23.6 23.2 17.3 17.3 23 23 A G > + 0 0 0 209,-0.3 3,-2.2 1,-0.2 65,-0.4 0.608 62.3 173.1 80.6 11.0 21.8 20.2 15.3 24 24 A A T 3 + 0 0 47 1,-0.3 -1,-0.2 63,-0.1 63,-0.2 -0.233 68.0 16.7 -53.0 140.6 21.9 22.7 18.1 25 25 A N T 3 S+ 0 0 153 61,-0.6 2,-0.5 1,-0.2 -1,-0.3 0.399 95.0 122.6 77.2 -2.6 21.0 26.2 16.9 26 26 A V < - 0 0 7 -3,-2.2 62,-2.9 60,-0.2 2,-0.7 -0.810 55.7-140.8 -96.6 130.7 19.5 25.0 13.6 27 27 A K E -b 88 0B 80 -2,-0.5 92,-2.7 90,-0.2 93,-1.9 -0.795 21.0-175.3 -93.6 113.1 15.8 25.9 12.9 28 28 A V E -bc 89 120B 0 60,-2.4 62,-2.2 -2,-0.7 2,-0.5 -0.928 8.9-159.1-112.4 128.4 13.8 23.1 11.3 29 29 A A E -bc 90 121B 0 91,-2.8 93,-2.6 -2,-0.5 2,-0.8 -0.913 3.8-155.8-107.7 126.8 10.2 23.6 10.2 30 30 A V E -bc 91 122B 2 60,-2.4 62,-1.8 -2,-0.5 2,-1.4 -0.870 4.3-157.5-104.7 102.8 7.9 20.6 9.8 31 31 A L E +b 92 0B 0 91,-2.3 93,-0.4 -2,-0.8 62,-0.2 -0.667 52.3 103.9 -80.5 95.3 5.2 21.4 7.3 32 32 A D E S-b 93 0B 0 -2,-1.4 62,-2.6 60,-1.1 63,-1.7 -0.523 87.9 -52.7-145.7-149.2 2.6 18.8 8.4 33 33 A T S S- 0 0 0 1,-0.4 27,-0.4 60,-0.2 28,-0.3 0.190 91.6 -95.7 -89.2 16.6 -0.6 18.0 10.3 34 34 A G - 0 0 1 58,-0.2 -1,-0.4 -4,-0.2 2,-0.3 -0.543 41.6 -90.1 101.3-170.5 0.8 19.8 13.4 35 35 A I - 0 0 1 21,-1.3 2,-2.3 23,-0.2 3,-0.1 -0.995 21.7-119.8-146.8 139.8 2.6 18.3 16.4 36 36 A Q > - 0 0 17 -2,-0.3 3,-2.8 22,-0.2 22,-0.2 -0.579 37.0-172.8 -77.9 79.0 1.4 17.1 19.8 37 37 A A T 3 S+ 0 0 33 -2,-2.3 7,-0.4 20,-0.9 -1,-0.2 0.643 75.5 63.4 -50.4 -21.7 3.5 19.7 21.5 38 38 A S T 3 S+ 0 0 94 19,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.478 71.9 125.5 -85.5 -1.9 2.8 18.3 24.9 39 39 A H X - 0 0 3 -3,-2.8 3,-1.5 1,-0.2 168,-0.0 -0.367 64.4-135.4 -57.3 130.1 4.6 15.0 24.0 40 40 A P T 3 S+ 0 0 77 0, 0.0 -1,-0.2 0, 0.0 38,-0.1 0.610 101.8 53.7 -65.7 -11.9 7.3 14.4 26.7 41 41 A D T 3 S+ 0 0 0 32,-0.0 33,-2.0 35,-0.0 2,-0.3 0.126 102.6 68.9-109.6 20.1 9.8 13.5 24.0 42 42 A L < - 0 0 11 -3,-1.5 2,-0.3 31,-0.2 31,-0.1 -0.965 55.5-161.6-137.8 154.2 9.5 16.6 22.0 43 43 A N - 0 0 97 -2,-0.3 46,-0.7 29,-0.3 2,-0.5 -0.792 11.8-172.5-137.2 89.2 10.3 20.3 22.3 44 44 A V E -d 89 0B 26 -7,-0.4 46,-0.2 -2,-0.3 3,-0.1 -0.728 3.6-172.6 -82.9 127.8 8.3 22.5 19.9 45 45 A V E - 0 0 76 44,-3.4 2,-0.3 -2,-0.5 45,-0.2 0.784 58.9 -46.9 -91.0 -30.5 9.6 26.0 20.2 46 46 A G E +d 90 0B 11 43,-1.3 45,-2.7 10,-0.0 2,-0.3 -0.919 58.4 157.4-174.1-162.4 7.0 27.6 17.9 47 47 A G E -d 91 0B 19 43,-0.3 2,-0.3 -2,-0.3 45,-0.3 -0.936 28.5-109.2 150.3-170.4 5.2 27.4 14.7 48 48 A A E -d 92 0B 16 43,-1.4 45,-2.1 -2,-0.3 2,-0.4 -0.983 13.7-135.6-154.4 157.7 2.0 28.5 12.8 49 49 A S E +d 93 0B 38 -2,-0.3 45,-0.2 43,-0.2 7,-0.1 -0.975 18.3 174.0-125.1 127.9 -1.3 27.1 11.5 50 50 A F + 0 0 76 43,-2.7 2,-0.5 -2,-0.4 44,-0.1 0.051 57.9 99.1-114.7 22.7 -2.9 27.8 8.2 51 51 A V S > S- 0 0 27 3,-0.4 3,-1.5 42,-0.1 44,-0.1 -0.955 82.1-112.0-111.6 124.8 -5.6 25.2 8.6 52 52 A A T 3 S+ 0 0 97 -2,-0.5 -2,-0.1 1,-0.2 3,-0.1 -0.270 94.7 7.2 -57.5 136.0 -9.0 26.6 9.8 53 53 A G T 3 S+ 0 0 90 1,-0.1 2,-0.5 0, 0.0 -1,-0.2 0.383 107.1 97.2 75.6 -4.0 -10.0 25.7 13.3 54 54 A E < - 0 0 43 -3,-1.5 -3,-0.4 39,-0.1 -1,-0.1 -0.973 62.3-143.1-124.1 128.9 -6.8 23.9 14.3 55 55 A A > - 0 0 54 -2,-0.5 3,-0.8 1,-0.1 -5,-0.1 -0.422 28.6-113.8 -78.1 161.9 -4.0 25.5 16.3 56 57 A Y T 3 S+ 0 0 70 1,-0.2 -21,-1.3 -2,-0.1 -8,-0.1 0.793 106.7 62.0 -69.2 -29.8 -0.4 24.4 15.3 57 58 A N T 3 S+ 0 0 66 -23,-0.2 -20,-0.9 -21,-0.1 2,-0.4 0.115 89.9 77.1 -89.1 23.4 0.4 22.6 18.6 58 59 A T < - 0 0 74 -3,-0.8 2,-0.5 -22,-0.2 -23,-0.2 -0.983 59.7-160.8-128.9 141.4 -2.2 19.8 18.3 59 60 A D + 0 0 15 -2,-0.4 -25,-0.1 -25,-0.2 -23,-0.1 -0.907 14.4 173.2-126.4 102.5 -2.0 16.8 16.0 60 61 A G S S+ 0 0 61 -2,-0.5 -1,-0.1 -27,-0.4 -26,-0.1 0.531 83.2 43.3 -83.9 -6.3 -5.4 15.1 15.4 61 62 A N S S- 0 0 55 -28,-0.3 -1,-0.1 35,-0.0 36,-0.1 0.835 90.8-136.9-103.4 -50.9 -3.8 12.8 12.8 62 63 A G S > S+ 0 0 0 -29,-0.1 4,-1.8 146,-0.1 5,-0.2 -0.030 78.0 100.4 114.1 -29.6 -0.5 11.6 14.2 63 64 A H H > S+ 0 0 41 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.917 81.6 46.6 -54.2 -53.9 1.5 12.0 11.0 64 65 A G H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.827 111.6 51.3 -62.7 -32.4 3.1 15.3 11.9 65 66 A T H > S+ 0 0 0 2,-0.2 4,-1.2 1,-0.2 142,-0.3 0.839 110.3 49.7 -72.9 -33.8 4.1 14.1 15.4 66 67 A H H X S+ 0 0 0 -4,-1.8 4,-1.3 2,-0.2 141,-0.3 0.897 113.3 45.1 -70.9 -42.1 5.7 11.0 13.9 67 68 A V H X S+ 0 0 0 -4,-2.2 4,-1.2 1,-0.2 -2,-0.2 0.887 111.7 53.4 -68.1 -39.8 7.7 13.0 11.3 68 69 A A H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.792 106.1 54.3 -66.3 -28.2 8.7 15.5 14.0 69 70 A G H X S+ 0 0 0 -4,-1.2 4,-2.1 138,-0.3 -1,-0.2 0.856 101.8 56.1 -74.7 -35.1 10.0 12.7 16.2 70 71 A T H < S+ 0 0 7 -4,-1.3 13,-2.6 2,-0.2 -1,-0.2 0.851 113.6 42.0 -65.2 -34.6 12.3 11.3 13.5 71 72 A V H < S- 0 0 0 -4,-1.2 13,-3.1 11,-0.2 -2,-0.2 0.922 137.6 -0.9 -80.3 -46.1 14.0 14.7 13.2 72 73 A A H < + 0 0 3 -4,-2.0 -29,-0.3 11,-0.2 -2,-0.2 0.042 66.8 157.9-143.4 37.6 14.3 15.8 16.8 73 74 A A < - 0 0 0 -4,-2.1 9,-2.6 1,-0.1 -31,-0.2 -0.475 59.3 -96.7 -58.6 129.7 12.9 13.4 19.4 74 75 A L - 0 0 47 -33,-2.0 2,-1.1 7,-0.2 4,-0.2 -0.078 24.9-122.2 -53.4 145.7 14.8 14.4 22.5 75 76 A D + 0 0 82 10,-0.2 2,-0.1 6,-0.1 -1,-0.1 -0.791 69.6 108.2 -90.8 97.6 18.0 12.5 23.6 76 77 A N S S- 0 0 48 -2,-1.1 -74,-0.2 2,-0.4 -35,-0.0 -0.415 84.6 -70.3-143.0-142.8 17.0 11.4 27.2 77 78 A T S S+ 0 0 120 -2,-0.1 2,-0.3 -76,-0.1 -2,-0.1 -0.002 103.9 54.3-116.8 29.6 16.0 8.3 29.0 78 79 A T S S+ 0 0 60 2,-0.2 -2,-0.4 -4,-0.2 -76,-0.2 -0.976 94.4 2.2-153.9 163.9 12.6 7.7 27.5 79 80 A G S S- 0 0 8 -78,-0.5 -76,-3.2 -2,-0.3 2,-0.2 -0.332 97.6 -44.6 62.2-130.4 10.9 7.3 24.1 80 81 A V B -a 3 0A 1 -78,-0.2 2,-0.4 -2,-0.1 -4,-0.3 -0.652 50.4-109.9-127.5-176.7 13.1 7.4 21.1 81 82 A L - 0 0 13 -78,-0.5 -7,-0.2 -2,-0.2 2,-0.1 -0.979 25.0-141.8-123.8 133.5 16.0 9.5 19.7 82 83 A G - 0 0 0 -9,-2.6 -11,-0.2 -2,-0.4 -10,-0.2 -0.436 26.3-110.6 -88.6 165.3 15.8 11.9 16.7 83 84 A V S S+ 0 0 0 -13,-2.6 -11,-0.2 1,-0.3 -12,-0.2 0.870 117.0 17.9 -59.8 -41.4 18.4 12.4 14.0 84 85 A A S > S+ 0 0 0 -13,-3.1 3,-1.7 -14,-0.1 -1,-0.3 -0.712 74.3 175.8-132.7 80.0 19.2 16.0 15.4 85 86 A P T 3 S+ 0 0 9 0, 0.0 -10,-0.2 0, 0.0 -62,-0.1 0.613 77.1 55.9 -63.3 -13.8 17.8 16.0 18.9 86 87 A S T 3 S+ 0 0 59 -64,-2.2 -61,-0.6 -12,-0.1 -60,-0.2 0.274 80.6 126.6-102.7 10.7 19.1 19.5 19.7 87 88 A V < - 0 0 10 -3,-1.7 2,-0.9 -65,-0.3 -60,-0.2 -0.305 69.8-112.8 -69.6 149.0 17.3 21.1 16.8 88 89 A S E -b 27 0B 36 -62,-2.9 -60,-2.4 -65,-0.4 2,-0.4 -0.775 41.5-147.4 -83.4 108.8 15.0 24.1 17.2 89 90 A L E -bd 28 44B 1 -2,-0.9 -44,-3.4 -46,-0.7 -43,-1.3 -0.681 20.7-179.0 -90.5 126.3 11.6 22.6 16.3 90 91 A Y E -bd 29 46B 38 -62,-2.2 -60,-2.4 -2,-0.4 2,-0.6 -0.979 15.7-149.5-124.2 125.6 8.8 24.6 14.7 91 92 A A E -bd 30 47B 0 -45,-2.7 -43,-1.4 -2,-0.5 2,-0.6 -0.847 13.4-175.8 -97.3 120.5 5.5 23.1 13.9 92 93 A V E -bd 31 48B 0 -62,-1.8 -60,-1.1 -2,-0.6 2,-0.6 -0.887 16.2-147.9-118.1 97.4 3.8 24.6 10.8 93 94 A K E +bd 32 49B 0 -45,-2.1 -43,-2.7 -2,-0.6 -60,-0.2 -0.530 39.3 145.3 -72.3 115.8 0.3 23.1 10.3 94 95 A V + 0 0 2 -62,-2.6 2,-0.4 -2,-0.6 -61,-0.2 0.378 59.5 62.0-126.2 -4.4 -0.6 22.9 6.6 95 96 A L S S- 0 0 10 -63,-1.7 6,-0.2 6,-0.1 -44,-0.1 -0.947 77.5-125.4-126.2 146.6 -2.6 19.7 6.6 96 97 A N > - 0 0 44 4,-2.4 3,-2.3 -2,-0.4 -2,-0.1 -0.187 42.1 -86.8 -80.7 178.6 -5.9 19.0 8.4 97 98 A S T 3 S+ 0 0 59 1,-0.3 -34,-0.1 2,-0.1 -1,-0.1 0.661 128.6 58.9 -61.5 -17.4 -6.5 16.0 10.8 98 99 A S T 3 S- 0 0 89 2,-0.2 -1,-0.3 -37,-0.0 3,-0.1 0.262 121.4-108.3 -94.4 9.9 -7.4 13.9 7.8 99 100 A G S < S+ 0 0 36 -3,-2.3 2,-0.4 1,-0.2 -2,-0.1 0.687 80.1 114.8 74.8 21.4 -4.0 14.5 6.3 100 101 A S + 0 0 66 25,-0.1 -4,-2.4 -67,-0.0 2,-0.3 -0.961 36.1 178.0-128.8 143.9 -4.9 16.8 3.5 101 102 A G - 0 0 35 -2,-0.4 -6,-0.1 -6,-0.2 2,-0.1 -0.968 27.3-111.5-140.9 157.4 -4.2 20.4 2.7 102 103 A S > - 0 0 71 -2,-0.3 4,-2.1 -8,-0.2 5,-0.2 -0.469 30.6-116.5 -84.1 157.1 -4.8 23.1 0.0 103 104 A Y H > S+ 0 0 90 1,-0.2 4,-3.5 2,-0.2 5,-0.3 0.918 116.0 53.8 -57.8 -44.8 -2.1 24.5 -2.1 104 105 A S H > S+ 0 0 80 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.866 108.2 50.4 -59.0 -37.1 -2.6 28.0 -0.7 105 106 A G H > S+ 0 0 6 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.903 113.6 44.3 -68.4 -41.4 -2.2 26.6 2.8 106 107 A I H X S+ 0 0 10 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.940 113.4 49.8 -68.3 -47.5 1.0 24.8 1.9 107 108 A V H X S+ 0 0 13 -4,-3.5 4,-2.1 1,-0.2 -2,-0.2 0.882 110.4 51.9 -58.7 -37.7 2.4 27.8 0.0 108 109 A S H X S+ 0 0 47 -4,-2.1 4,-2.2 -5,-0.3 -1,-0.2 0.878 109.9 49.4 -65.5 -38.3 1.6 30.0 3.0 109 110 A G H X S+ 0 0 0 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.889 109.6 50.5 -67.9 -40.2 3.4 27.5 5.2 110 111 A I H X S+ 0 0 2 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.885 113.1 46.6 -64.0 -40.8 6.5 27.5 2.9 111 112 A E H X S+ 0 0 110 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.878 108.4 54.4 -69.4 -40.3 6.6 31.3 3.0 112 113 A W H X S+ 0 0 51 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.912 110.7 47.6 -59.4 -42.3 6.1 31.6 6.7 113 114 A A H <>S+ 0 0 0 -4,-1.9 5,-2.4 2,-0.2 -1,-0.2 0.860 111.8 49.6 -67.8 -36.7 9.1 29.3 7.1 114 115 A T H ><5S+ 0 0 34 -4,-1.7 3,-0.9 1,-0.2 -2,-0.2 0.911 113.9 44.9 -70.7 -40.5 11.2 31.4 4.7 115 116 A T H 3<5S+ 0 0 107 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.741 108.9 57.0 -76.3 -22.8 10.3 34.7 6.4 116 117 A N T 3<5S- 0 0 70 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.1 0.117 116.1-107.5 -96.9 25.4 10.9 33.4 9.8 117 118 A G T < 5 + 0 0 42 -3,-0.9 -90,-0.2 1,-0.2 -3,-0.2 0.764 53.2 172.2 61.3 30.1 14.5 32.3 9.2 118 119 A M < - 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