==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SERINE PROTEASE 21-MAR-97 1AF4 . 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) . 10004.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 192 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 13.9 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 . 20 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 11.3 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 2 1 1 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 . 2 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 . 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 0 119 0, 0.0 78,-0.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 126.7 14.7 3.2 28.5 2 2 A Q B -a 79 0A 43 76,-0.2 2,-0.3 74,-0.1 78,-0.2 -0.850 360.0-140.8 -98.7 132.8 15.2 5.2 25.4 3 3 A T - 0 0 68 76,-3.6 78,-0.3 -2,-0.4 75,-0.1 -0.734 3.7-146.7 -92.2 145.2 14.9 3.2 22.2 4 4 A V - 0 0 77 -2,-0.3 2,-0.1 76,-0.2 76,-0.1 -0.934 17.9-137.5-113.2 104.8 17.2 3.8 19.3 5 5 A P > - 0 0 20 0, 0.0 3,-2.0 0, 0.0 199,-0.1 -0.412 20.1-118.4 -62.6 137.4 15.4 3.3 16.0 6 6 A Y T 3> S+ 0 0 67 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.806 108.3 74.7 -41.5 -34.5 17.5 1.4 13.3 7 7 A G H 3> S+ 0 0 2 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.796 89.9 52.9 -54.1 -41.3 17.2 4.5 11.2 8 8 A I H <4>S+ 0 0 5 -3,-2.0 5,-2.8 2,-0.2 6,-0.6 0.943 114.3 38.1 -66.4 -48.3 19.7 6.6 13.2 9 9 A P H >45S+ 0 0 46 0, 0.0 3,-1.5 0, 0.0 -2,-0.2 0.889 110.7 63.3 -70.2 -31.9 22.6 4.2 13.1 10 10 A L H 3<5S+ 0 0 47 -4,-2.5 -2,-0.2 1,-0.3 -3,-0.2 0.813 109.0 38.9 -61.0 -34.1 21.8 3.2 9.5 11 11 A I T 3<5S- 0 0 0 -4,-1.2 258,-2.1 -3,-0.3 259,-0.5 0.385 118.3-113.7 -95.6 6.2 22.4 6.7 8.3 12 12 A K T <>5S+ 0 0 67 -3,-1.5 4,-1.3 -4,-0.2 3,-0.2 0.764 72.3 140.7 67.1 28.9 25.4 7.0 10.7 13 13 A A H >< + 0 0 0 -5,-2.8 4,-2.3 -6,-0.2 5,-0.2 0.864 66.6 59.4 -66.1 -36.6 23.6 9.7 12.7 14 14 A D H > S+ 0 0 61 -6,-0.6 4,-2.0 1,-0.2 -1,-0.2 0.818 100.0 54.9 -62.2 -35.7 25.0 8.1 15.9 15 15 A K H > S+ 0 0 76 -3,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.972 111.3 43.9 -63.1 -52.4 28.6 8.6 14.8 16 16 A V H ><>S+ 0 0 0 -4,-1.3 5,-1.4 1,-0.2 3,-1.0 0.908 112.3 51.5 -57.9 -48.5 28.1 12.4 14.2 17 17 A Q H ><5S+ 0 0 17 -4,-2.3 3,-2.7 1,-0.3 -1,-0.2 0.924 104.5 58.1 -56.1 -43.8 26.1 12.9 17.4 18 18 A A H 3<5S+ 0 0 90 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.760 98.7 60.1 -57.9 -27.3 28.9 11.1 19.3 19 19 A Q T <<5S- 0 0 80 -3,-1.0 -1,-0.3 -4,-0.9 -2,-0.2 0.463 127.9-102.1 -76.4 -9.1 31.3 13.8 17.9 20 20 A G T < 5S+ 0 0 58 -3,-2.7 2,-0.7 1,-0.2 -3,-0.2 0.300 84.1 124.9 105.7 -10.8 29.1 16.3 19.8 21 21 A F < + 0 0 60 -5,-1.4 -1,-0.2 1,-0.1 -2,-0.2 -0.760 17.2 152.6 -90.6 114.6 27.1 17.6 16.9 22 22 A K - 0 0 40 -2,-0.7 64,-2.3 62,-0.1 65,-0.2 0.199 69.7 -89.0-124.2 11.7 23.3 17.3 17.5 23 23 A G > + 0 0 0 209,-0.2 3,-2.0 1,-0.2 65,-0.3 0.554 63.6 168.5 93.8 6.1 21.8 20.1 15.5 24 24 A A T 3 + 0 0 49 1,-0.3 -1,-0.2 63,-0.2 63,-0.2 -0.247 67.8 15.6 -57.7 135.2 21.9 22.8 18.1 25 25 A N T 3 S+ 0 0 148 61,-0.6 2,-0.5 1,-0.3 -1,-0.3 0.311 95.2 120.2 84.2 -8.9 21.1 26.3 16.7 26 26 A V < - 0 0 7 -3,-2.0 62,-2.9 60,-0.2 2,-0.7 -0.779 58.4-141.7 -90.9 125.8 19.6 24.9 13.6 27 27 A K E -b 88 0B 71 -2,-0.5 92,-2.8 90,-0.2 93,-1.9 -0.841 21.1-174.6 -89.4 114.9 16.0 25.9 13.1 28 28 A V E -bc 89 120B 0 60,-2.5 62,-2.4 -2,-0.7 2,-0.5 -0.958 6.9-162.6-115.9 124.8 13.9 23.1 11.6 29 29 A A E -bc 90 121B 0 91,-2.4 93,-2.3 -2,-0.5 2,-0.7 -0.914 6.9-152.3-107.4 132.8 10.3 23.6 10.5 30 30 A V E -bc 91 122B 1 60,-2.8 62,-2.0 -2,-0.5 2,-1.1 -0.909 5.1-158.1-107.4 104.1 8.0 20.6 10.0 31 31 A L E +bc 92 123B 0 91,-2.4 93,-0.6 -2,-0.7 62,-0.2 -0.747 53.0 95.3 -83.0 100.4 5.3 21.4 7.5 32 32 A D E S-b 93 0B 0 60,-1.8 62,-2.5 -2,-1.1 63,-1.7 -0.504 91.2 -43.7-154.2-144.6 2.7 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 0.158 92.0 -97.6 -92.0 17.4 -0.5 18.0 10.4 34 34 A G - 0 0 0 58,-0.4 -1,-0.4 -4,-0.2 2,-0.3 -0.488 40.2 -94.5 95.2-173.5 0.9 19.8 13.4 35 35 A I - 0 0 1 21,-1.2 2,-1.6 23,-0.3 3,-0.1 -0.987 24.2-114.7-144.3 143.8 2.7 18.2 16.4 36 36 A Q > - 0 0 17 -2,-0.3 3,-2.3 1,-0.2 22,-0.2 -0.706 35.8-169.3 -77.8 89.6 1.4 17.2 19.8 37 37 A A T 3 S+ 0 0 36 20,-1.7 7,-0.4 -2,-1.6 -1,-0.2 0.723 78.8 64.1 -56.9 -24.7 3.5 19.8 21.6 38 38 A S T 3 S+ 0 0 91 19,-0.4 -1,-0.3 -3,-0.1 -2,-0.1 0.521 71.7 124.7 -77.6 -7.4 2.7 18.3 25.0 39 39 A H X - 0 0 3 -3,-2.3 3,-1.7 1,-0.2 168,-0.0 -0.393 61.8-140.8 -57.3 125.6 4.5 15.1 23.9 40 40 A P T 3 S+ 0 0 74 0, 0.0 -1,-0.2 0, 0.0 38,-0.1 0.587 99.2 56.2 -64.2 -17.2 7.2 14.5 26.7 41 41 A D T 3 S+ 0 0 0 32,-0.1 33,-2.2 35,-0.0 2,-0.3 0.255 103.1 67.8 -99.3 12.9 9.8 13.4 24.0 42 42 A L < - 0 0 11 -3,-1.7 2,-0.4 31,-0.2 31,-0.1 -0.946 57.2-159.4-134.3 152.1 9.5 16.6 22.0 43 43 A N - 0 0 95 -2,-0.3 46,-0.8 29,-0.2 2,-0.6 -0.797 15.2-173.2-130.0 85.0 10.4 20.3 22.4 44 44 A V E -d 89 0B 25 -7,-0.4 46,-0.2 -2,-0.4 3,-0.1 -0.727 4.2-171.5 -81.4 119.6 8.4 22.4 20.0 45 45 A V E - 0 0 76 44,-3.0 2,-0.3 -2,-0.6 45,-0.2 0.731 55.5 -57.9 -86.3 -22.3 9.6 26.0 20.2 46 46 A G E +d 90 0B 9 43,-1.1 45,-2.6 10,-0.1 2,-0.3 -0.950 57.8 155.9 173.8-155.5 6.9 27.6 18.1 47 47 A G E -d 91 0B 20 -2,-0.3 2,-0.3 43,-0.3 45,-0.3 -0.930 32.6-101.5 138.7-163.4 5.3 27.6 14.7 48 48 A A E -d 92 0B 18 43,-1.4 45,-2.8 -2,-0.3 2,-0.4 -0.970 13.7-130.7-157.0 160.1 2.0 28.5 13.0 49 49 A S E +d 93 0B 37 -2,-0.3 45,-0.2 43,-0.2 7,-0.1 -0.991 18.6 173.8-122.3 129.1 -1.3 27.1 11.8 50 50 A F + 0 0 81 43,-2.9 2,-0.4 -2,-0.4 44,-0.1 0.081 59.3 97.3-113.4 14.5 -2.7 27.8 8.3 51 51 A V S > S- 0 0 29 3,-0.4 3,-0.8 42,-0.2 2,-0.3 -0.888 82.4-109.9-104.3 137.3 -5.5 25.3 8.8 52 52 A A T 3 S+ 0 0 96 -2,-0.4 3,-0.1 1,-0.2 -2,-0.1 -0.498 93.1 3.6 -73.1 133.5 -8.9 26.5 10.0 53 53 A G T 3 S+ 0 0 89 -2,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.360 109.6 95.0 77.5 -5.5 -10.1 25.7 13.4 54 54 A E < - 0 0 46 -3,-0.8 -3,-0.4 39,-0.1 2,-0.2 -0.969 64.1-143.3-123.3 128.2 -6.8 23.9 14.4 55 55 A A > - 0 0 55 -2,-0.4 3,-1.2 1,-0.1 -5,-0.1 -0.553 27.0-113.3 -82.8 162.5 -4.0 25.5 16.3 56 57 A Y T 3 S+ 0 0 80 1,-0.3 -21,-1.2 -2,-0.2 -8,-0.1 0.757 107.4 65.0 -65.5 -30.1 -0.4 24.5 15.4 57 58 A N T 3 S+ 0 0 70 -23,-0.2 -20,-1.7 -21,-0.1 -19,-0.4 0.307 92.4 68.4 -81.2 3.5 0.3 22.8 18.7 58 59 A T < - 0 0 70 -3,-1.2 2,-0.4 -22,-0.2 -23,-0.3 -0.903 60.0-160.5-119.5 155.5 -2.2 20.0 18.4 59 60 A D + 0 0 14 -2,-0.3 -25,-0.1 -25,-0.2 -23,-0.1 -0.858 12.2 175.7-139.1 100.8 -2.1 17.0 16.1 60 61 A G S S+ 0 0 57 -2,-0.4 -26,-0.1 -27,-0.4 -1,-0.1 0.287 81.8 45.6 -86.5 8.9 -5.4 15.2 15.5 61 62 A N S S- 0 0 58 -28,-0.3 -1,-0.1 37,-0.0 36,-0.1 0.724 90.8-134.1-115.8 -49.5 -3.9 12.9 12.9 62 63 A G S > S+ 0 0 0 -29,-0.1 4,-1.7 -28,-0.1 3,-0.2 -0.112 78.6 98.8 118.4 -35.1 -0.6 11.5 14.1 63 64 A H H > S+ 0 0 40 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.899 83.3 47.3 -52.9 -52.3 1.5 12.0 11.0 64 65 A G H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.872 109.9 51.3 -63.1 -37.5 3.1 15.3 12.1 65 66 A T H > S+ 0 0 0 -3,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.847 112.4 49.1 -68.7 -27.6 4.1 14.1 15.6 66 67 A H H X S+ 0 0 0 -4,-1.7 4,-1.4 2,-0.2 -2,-0.2 0.892 112.9 43.8 -76.9 -45.4 5.7 11.1 14.0 67 68 A V H >X S+ 0 0 0 -4,-2.3 4,-1.5 2,-0.2 3,-0.6 0.961 113.8 52.6 -63.5 -47.1 7.7 13.0 11.3 68 69 A A H 3X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.3 -2,-0.2 0.866 106.1 55.5 -56.8 -36.7 8.7 15.5 14.0 69 70 A G H 3X S+ 0 0 0 -4,-1.5 4,-2.3 138,-0.3 -1,-0.3 0.853 102.0 54.3 -66.0 -38.7 9.9 12.7 16.2 70 71 A T H << S+ 0 0 11 -4,-1.4 13,-2.3 -3,-0.6 -1,-0.2 0.861 115.0 41.9 -65.2 -34.2 12.3 11.3 13.6 71 72 A V H < S+ 0 0 0 -4,-1.5 13,-3.1 11,-0.2 -2,-0.2 0.966 136.4 3.1 -78.5 -50.5 13.9 14.7 13.3 72 73 A A H < + 0 0 5 -4,-2.8 -29,-0.2 10,-0.2 -2,-0.2 0.076 65.1 155.8-132.0 28.9 14.1 15.8 17.0 73 74 A A < - 0 0 0 -4,-2.3 9,-2.9 -5,-0.1 -31,-0.2 -0.431 59.7-100.6 -57.5 126.0 12.9 13.2 19.6 74 75 A L - 0 0 47 -33,-2.2 2,-0.9 7,-0.2 4,-0.2 -0.114 25.4-118.8 -50.1 142.2 14.9 14.4 22.6 75 76 A D S S+ 0 0 85 10,-0.2 2,-0.2 6,-0.1 -1,-0.1 -0.763 70.7 100.7 -87.4 103.9 18.0 12.6 23.7 76 77 A N S S- 0 0 59 -2,-0.9 -74,-0.1 2,-0.3 -35,-0.0 -0.733 87.1 -62.7-154.8-149.4 17.2 11.3 27.2 77 78 A T S S+ 0 0 119 -2,-0.2 2,-0.3 -76,-0.1 -2,-0.1 0.228 104.2 59.9-101.5 17.7 16.1 8.3 29.2 78 79 A T S S- 0 0 64 -4,-0.2 -2,-0.3 2,-0.2 -76,-0.2 -0.986 91.9 -10.7-149.1 152.4 12.7 7.8 27.5 79 80 A G B S-a 2 0A 8 -78,-0.6 -76,-3.6 -2,-0.3 2,-0.2 -0.424 95.1 -30.9 72.2-132.0 11.0 7.2 24.2 80 81 A V - 0 0 2 -78,-0.2 2,-0.4 -2,-0.2 -4,-0.2 -0.548 54.8-114.6-116.4-177.8 12.9 7.4 20.9 81 82 A L - 0 0 15 -78,-0.3 -7,-0.2 -2,-0.2 -73,-0.1 -0.986 22.0-142.1-126.4 128.8 15.9 9.4 19.6 82 83 A G - 0 0 0 -9,-2.9 -11,-0.2 -2,-0.4 -10,-0.2 -0.382 22.5-118.3 -83.5 164.7 15.8 11.9 16.8 83 84 A V S S+ 0 0 1 -13,-2.3 -11,-0.2 1,-0.3 -12,-0.2 0.895 114.5 19.8 -66.8 -42.1 18.5 12.5 14.1 84 85 A A S > S+ 0 0 0 -13,-3.1 3,-1.8 -14,-0.2 -1,-0.3 -0.515 75.0 172.2-128.9 66.6 19.1 16.1 15.4 85 86 A P T 3 S+ 0 0 8 0, 0.0 -10,-0.2 0, 0.0 -62,-0.1 0.539 75.2 55.1 -53.0 -12.9 17.7 16.1 19.0 86 87 A S T 3 S+ 0 0 53 -64,-2.3 -61,-0.6 -12,-0.1 -60,-0.2 0.087 82.7 119.9-110.6 22.8 19.1 19.6 19.8 87 88 A V S < S- 0 0 10 -3,-1.8 2,-0.9 -65,-0.2 -60,-0.2 -0.413 73.3-108.5 -83.5 157.4 17.4 21.3 16.9 88 89 A S E -b 27 0B 35 -62,-2.9 -60,-2.5 -65,-0.3 2,-0.5 -0.829 39.3-149.0 -90.5 108.8 14.9 24.2 17.3 89 90 A L E -bd 28 44B 1 -2,-0.9 -44,-3.0 -46,-0.8 -43,-1.1 -0.656 17.1-176.0 -87.2 123.0 11.6 22.6 16.3 90 91 A Y E -bd 29 46B 39 -62,-2.4 -60,-2.8 -2,-0.5 2,-0.7 -0.977 15.3-147.7-119.5 126.2 8.8 24.7 14.7 91 92 A A E -bd 30 47B 0 -45,-2.6 -43,-1.4 -2,-0.5 2,-0.6 -0.861 14.9-175.4 -95.4 114.1 5.4 23.1 14.0 92 93 A V E -bd 31 48B 0 -62,-2.0 -60,-1.8 -2,-0.7 2,-0.6 -0.932 14.4-149.7-113.2 105.1 3.8 24.6 10.9 93 94 A K E +bd 32 49B 0 -45,-2.8 -43,-2.9 -2,-0.6 -60,-0.2 -0.706 40.8 141.3 -81.4 117.7 0.3 23.2 10.3 94 95 A V + 0 0 2 -62,-2.5 2,-0.4 -2,-0.6 8,-0.2 0.243 59.6 66.9-131.2 -1.6 -0.6 23.0 6.6 95 96 A L S S- 0 0 10 -63,-1.7 6,-0.2 6,-0.1 -44,-0.1 -0.948 75.1-131.7-126.0 146.6 -2.5 19.7 6.7 96 97 A N > - 0 0 53 4,-2.3 3,-2.4 -2,-0.4 -2,-0.1 -0.172 42.9 -81.4 -86.0-178.4 -5.8 18.9 8.4 97 98 A S T 3 S+ 0 0 51 1,-0.3 -64,-0.1 2,-0.1 -1,-0.0 0.658 132.0 55.9 -57.6 -21.5 -6.7 16.0 10.7 98 99 A S T 3 S- 0 0 95 2,-0.2 -1,-0.3 -37,-0.0 3,-0.1 0.327 119.7-112.2 -91.3 2.2 -7.3 13.9 7.5 99 100 A G S < S+ 0 0 32 -3,-2.4 2,-0.4 1,-0.2 -2,-0.1 0.730 76.1 129.3 73.7 22.4 -3.8 14.7 6.4 100 101 A S - 0 0 74 25,-0.1 -4,-2.3 -67,-0.0 2,-0.3 -0.889 32.3-178.9-113.2 141.4 -5.0 16.8 3.4 101 102 A G - 0 0 39 -2,-0.4 2,-0.2 -6,-0.2 -6,-0.1 -0.984 22.7-128.3-139.1 147.8 -3.9 20.3 2.6 102 103 A S > - 0 0 77 -2,-0.3 4,-2.0 -8,-0.2 3,-0.2 -0.571 33.5-110.3 -87.1 161.0 -4.7 22.9 -0.1 103 104 A Y H > S+ 0 0 97 1,-0.2 4,-3.5 2,-0.2 5,-0.2 0.910 117.0 54.1 -56.1 -45.7 -2.0 24.6 -2.1 104 105 A S H > S+ 0 0 89 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.851 106.8 50.6 -57.4 -42.7 -2.5 27.9 -0.4 105 106 A G H > S+ 0 0 9 -3,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.942 114.8 43.0 -62.9 -45.3 -2.1 26.5 3.0 106 107 A I H X S+ 0 0 12 -4,-2.0 4,-2.3 1,-0.2 3,-0.4 0.978 113.0 52.2 -64.8 -50.4 1.1 24.8 2.0 107 108 A V H X S+ 0 0 16 -4,-3.5 4,-2.5 1,-0.3 -1,-0.2 0.862 109.0 51.2 -53.1 -40.0 2.3 27.9 0.2 108 109 A S H X S+ 0 0 38 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.3 0.907 108.4 52.3 -64.2 -40.4 1.6 29.9 3.3 109 110 A G H X S+ 0 0 0 -4,-2.0 4,-1.9 -3,-0.4 -2,-0.2 0.893 110.5 46.7 -61.7 -42.1 3.7 27.4 5.4 110 111 A I H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.942 113.6 48.0 -66.2 -47.6 6.6 27.7 3.0 111 112 A E H X S+ 0 0 110 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.850 110.5 51.5 -61.7 -38.8 6.5 31.5 3.0 112 113 A W H X S+ 0 0 52 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.889 108.7 52.5 -62.8 -43.2 6.2 31.7 6.8 113 114 A A H <>S+ 0 0 0 -4,-1.9 5,-2.5 2,-0.2 -2,-0.2 0.889 112.7 43.9 -60.6 -43.3 9.3 29.4 7.1 114 115 A T H ><5S+ 0 0 22 -4,-2.1 3,-1.4 1,-0.2 -2,-0.2 0.941 114.5 48.0 -68.8 -49.8 11.4 31.6 4.8 115 116 A T H 3<5S+ 0 0 110 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.782 111.0 53.1 -62.8 -27.9 10.2 34.9 6.4 116 117 A N T 3<5S- 0 0 76 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 -0.033 114.6-112.6-100.3 30.9 10.9 33.5 9.9 117 118 A G T < 5 + 0 0 19 -3,-1.4 -90,-0.2 1,-0.1 -3,-0.2 0.703 50.2 171.6 47.9 34.6 14.5 32.4 9.1 118 119 A M < - 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