==== 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 SERINE PROTEASE 19-JUL-93 1SCA . COMPND 2 MOLECULE: SUBTILISIN CARLSBERG; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS LICHENIFORMIS; . AUTHOR P.A.FITZPATRICK,A.C.U.STEINMETZ,D.RINGE,A.M.KLIBANOV . 274 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9928.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 189 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 12.8 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 . 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 . 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 . 63 23.0 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 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 . 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 0 116 0, 0.0 2,-0.5 0, 0.0 78,-0.5 0.000 360.0 360.0 360.0 -40.1 90.4 58.6 82.1 2 2 A Q - 0 0 44 76,-0.2 2,-0.3 74,-0.1 78,-0.2 -0.784 360.0-149.5 -99.6 121.7 91.4 60.4 78.9 3 3 A T - 0 0 68 76,-3.5 78,-0.3 -2,-0.5 75,-0.1 -0.654 3.4-146.4 -85.5 142.7 91.1 58.5 75.6 4 4 A V - 0 0 75 -2,-0.3 76,-0.1 76,-0.2 78,-0.1 -0.890 19.8-136.2-109.0 103.8 93.4 59.2 72.8 5 5 A P > - 0 0 14 0, 0.0 3,-1.8 0, 0.0 199,-0.1 -0.223 21.5-116.3 -54.1 142.1 91.5 58.7 69.5 6 6 A Y T 3> S+ 0 0 63 1,-0.3 4,-2.0 2,-0.2 5,-0.1 0.791 108.6 70.9 -55.4 -26.9 93.6 56.8 66.9 7 7 A G H 3> S+ 0 0 1 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.805 89.3 62.5 -58.6 -36.5 93.6 59.8 64.6 8 8 A I H <4>S+ 0 0 2 -3,-1.8 5,-2.3 1,-0.2 6,-0.8 0.976 112.1 31.3 -57.9 -59.4 96.0 61.7 66.8 9 9 A P H >45S+ 0 0 51 0, 0.0 3,-1.3 0, 0.0 -1,-0.2 0.875 111.3 68.7 -69.1 -28.8 99.0 59.5 66.8 10 10 A L H 3<5S+ 0 0 37 -4,-2.0 -2,-0.2 1,-0.3 -3,-0.2 0.923 110.2 34.3 -58.4 -34.8 98.0 58.5 63.2 11 11 A I T 3<5S- 0 0 0 -4,-1.7 258,-2.4 -3,-0.3 259,-0.6 0.431 115.6-116.8 -98.1 7.3 98.9 62.0 62.0 12 12 A K T X>5 + 0 0 77 -3,-1.3 4,-1.0 -4,-0.4 3,-0.5 0.732 69.1 141.5 62.0 30.8 101.7 62.3 64.6 13 13 A A H 3>< + 0 0 0 -5,-2.3 4,-2.1 -6,-0.3 5,-0.2 0.801 67.9 63.0 -68.7 -29.0 100.0 65.2 66.4 14 14 A D H 3> S+ 0 0 65 -6,-0.8 4,-2.2 1,-0.2 -1,-0.3 0.880 96.6 53.4 -66.4 -35.0 101.2 63.6 69.5 15 15 A K H <> S+ 0 0 103 -3,-0.5 4,-0.8 1,-0.2 -1,-0.2 0.842 110.8 48.0 -65.4 -36.1 104.8 63.9 68.7 16 16 A V H <>S+ 0 0 0 -4,-1.0 5,-1.9 2,-0.2 3,-0.4 0.860 109.5 50.4 -69.7 -39.4 104.4 67.6 68.1 17 17 A Q H ><5S+ 0 0 16 -4,-2.1 3,-2.2 1,-0.2 -2,-0.2 0.910 104.0 60.4 -64.3 -38.6 102.5 68.1 71.3 18 18 A A H 3<5S+ 0 0 92 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.814 97.4 61.1 -60.4 -25.9 105.3 66.3 73.1 19 19 A Q T 3<5S- 0 0 83 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.2 0.537 127.4-102.0 -72.1 -11.9 107.6 69.1 71.7 20 20 A G T < 5S+ 0 0 54 -3,-2.2 2,-0.6 -4,-0.3 -3,-0.2 0.576 85.1 126.7 100.4 8.9 105.5 71.5 73.7 21 21 A F < + 0 0 65 -5,-1.9 -1,-0.3 1,-0.1 -2,-0.2 -0.904 14.8 149.2-106.9 110.9 103.5 72.8 70.7 22 22 A K S S- 0 0 50 -2,-0.6 64,-2.1 62,-0.1 65,-0.4 0.300 71.3 -91.3-124.4 6.3 99.7 72.6 71.3 23 23 A G > + 0 0 0 209,-0.2 3,-2.0 1,-0.2 65,-0.4 0.646 60.1 174.3 93.3 14.5 98.3 75.5 69.3 24 24 A A T 3 S+ 0 0 61 1,-0.3 -1,-0.2 63,-0.2 63,-0.2 -0.344 70.9 11.0 -58.9 130.9 98.3 78.1 72.2 25 25 A N T 3 S+ 0 0 141 61,-0.7 2,-0.4 1,-0.3 -1,-0.3 0.551 97.1 123.6 83.4 -2.1 97.3 81.6 70.9 26 26 A V < - 0 0 8 -3,-2.0 62,-2.7 60,-0.2 2,-0.6 -0.841 54.4-144.7 -91.9 130.9 96.1 80.2 67.5 27 27 A K E -a 88 0A 62 -2,-0.4 92,-2.0 90,-0.2 93,-1.6 -0.901 17.8-174.0-105.0 126.4 92.4 81.1 66.9 28 28 A V E -ab 89 120A 0 60,-3.0 62,-3.1 -2,-0.6 2,-0.6 -0.965 11.1-154.0-119.3 134.7 90.3 78.5 65.1 29 29 A A E -ab 90 121A 0 91,-2.3 93,-2.7 -2,-0.5 2,-0.7 -0.896 4.3-153.7-106.7 128.1 86.8 79.0 63.9 30 30 A V E -ab 91 122A 2 60,-2.8 62,-2.8 -2,-0.6 2,-1.0 -0.891 6.4-160.1-102.1 109.6 84.5 76.0 63.5 31 31 A L E +ab 92 123A 0 91,-2.4 93,-0.6 -2,-0.7 62,-0.2 -0.817 51.5 93.5 -89.0 96.6 81.9 76.8 60.9 32 32 A D E S-a 93 0A 0 60,-2.0 62,-2.5 -2,-1.0 63,-2.2 -0.590 90.9 -41.7-157.5-147.4 79.3 74.3 61.7 33 33 A T S S- 0 0 1 1,-0.4 27,-0.4 60,-0.2 28,-0.3 0.243 93.6 -93.2 -88.0 14.6 76.1 73.4 63.6 34 34 A G - 0 0 2 58,-0.3 -1,-0.4 -4,-0.2 2,-0.4 -0.530 42.5 -95.2 99.3-175.3 77.3 75.3 66.8 35 35 A I - 0 0 1 21,-1.3 2,-1.8 23,-0.3 3,-0.1 -0.993 23.1-118.0-142.2 133.5 79.2 73.8 69.7 36 36 A Q > - 0 0 15 -2,-0.4 3,-2.3 1,-0.2 22,-0.2 -0.612 36.3-170.3 -68.5 84.9 77.8 72.5 73.0 37 37 A A T 3 S+ 0 0 27 -2,-1.8 7,-0.4 20,-1.5 -1,-0.2 0.798 76.0 62.8 -53.4 -31.5 79.9 75.2 75.0 38 38 A S T 3 S+ 0 0 93 19,-0.4 -1,-0.3 -3,-0.1 -2,-0.1 0.544 72.0 122.3 -74.4 -6.7 79.1 73.7 78.3 39 39 A H X - 0 0 3 -3,-2.3 3,-1.9 1,-0.2 168,-0.0 -0.286 64.5-136.6 -59.3 134.2 80.8 70.4 77.5 40 40 A P T 3 S+ 0 0 78 0, 0.0 -1,-0.2 0, 0.0 38,-0.1 0.749 100.7 57.2 -66.2 -20.8 83.5 69.8 80.1 41 41 A D T 3 S+ 0 0 0 171,-0.1 33,-2.4 32,-0.1 2,-0.4 0.359 102.5 65.3 -92.5 7.3 86.0 68.7 77.5 42 42 A L < - 0 0 10 -3,-1.9 2,-0.5 31,-0.2 31,-0.1 -0.975 57.2-160.2-132.9 147.1 85.8 71.9 75.5 43 43 A N - 0 0 98 -2,-0.4 46,-0.7 29,-0.3 2,-0.6 -0.912 14.4-168.7-125.2 94.3 86.6 75.6 76.0 44 44 A V E -c 89 0A 25 -2,-0.5 46,-0.2 -7,-0.4 3,-0.1 -0.781 5.2-172.7 -87.3 117.2 84.7 77.9 73.6 45 45 A V E - 0 0 71 44,-2.5 2,-0.3 -2,-0.6 45,-0.2 0.829 57.2 -45.2 -82.2 -35.6 86.1 81.4 73.7 46 46 A G E +c 90 0A 12 43,-1.1 45,-2.2 10,-0.1 2,-0.3 -0.946 58.6 155.0-171.4-166.8 83.5 83.2 71.5 47 47 A G E -c 91 0A 21 43,-0.3 2,-0.3 -2,-0.3 45,-0.2 -0.956 28.1-113.0 157.0-166.2 81.6 83.0 68.2 48 48 A A E -c 92 0A 15 43,-1.3 45,-2.6 -2,-0.3 2,-0.5 -0.962 15.3-132.2-157.2 159.1 78.5 84.1 66.4 49 49 A S E +c 93 0A 39 -2,-0.3 45,-0.1 43,-0.2 7,-0.1 -0.978 18.2 176.0-127.7 126.6 75.3 82.6 65.0 50 50 A F + 0 0 77 43,-2.7 2,-0.5 -2,-0.5 44,-0.1 0.127 60.2 95.6-107.9 15.6 74.0 83.2 61.5 51 51 A V S > S- 0 0 26 3,-0.4 3,-1.2 42,-0.2 2,-0.1 -0.964 83.0-113.2-112.2 127.6 71.2 80.8 62.0 52 52 A A T 3 S+ 0 0 98 -2,-0.5 -2,-0.1 1,-0.2 3,-0.1 -0.343 93.3 8.3 -61.7 129.6 67.8 82.2 63.0 53 53 A G T 3 S+ 0 0 90 1,-0.1 2,-0.4 -2,-0.1 -1,-0.2 0.179 107.0 90.8 88.8 -13.8 66.6 81.2 66.5 54 54 A E < - 0 0 45 -3,-1.2 -3,-0.4 39,-0.1 -1,-0.1 -0.951 66.0-135.8-120.7 133.2 69.7 79.4 67.8 55 55 A A > - 0 0 54 -2,-0.4 3,-0.9 1,-0.1 -5,-0.1 -0.357 28.2-112.3 -78.1 165.7 72.7 81.0 69.7 56 57 A Y T 3 S+ 0 0 68 1,-0.2 -21,-1.3 -22,-0.1 -1,-0.1 0.789 107.7 62.3 -74.9 -19.8 76.2 80.0 68.8 57 58 A N T 3 S+ 0 0 65 -23,-0.2 -20,-1.5 -21,-0.1 -19,-0.4 0.236 90.3 69.3-101.2 25.1 76.9 78.2 71.9 58 59 A T < - 0 0 72 -3,-0.9 2,-0.4 -22,-0.2 -23,-0.3 -0.904 59.6-158.8-125.5 159.4 74.4 75.3 71.8 59 60 A D + 0 0 11 -2,-0.3 -25,-0.1 -25,-0.2 -23,-0.1 -0.832 13.8 175.7-142.2 101.9 74.4 72.4 69.3 60 61 A G S S+ 0 0 60 -27,-0.4 -1,-0.1 -2,-0.4 -26,-0.1 0.475 83.2 45.5 -84.8 0.3 71.2 70.6 68.8 61 62 A N S S- 0 0 54 -28,-0.3 -1,-0.1 37,-0.0 -2,-0.1 0.819 89.4-139.1-107.8 -48.7 72.7 68.4 66.2 62 63 A G S > S+ 0 0 0 -29,-0.1 4,-2.1 -28,-0.1 5,-0.2 0.025 76.9 100.7 116.6 -30.8 76.0 67.2 67.6 63 64 A H H > S+ 0 0 42 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.930 83.7 46.9 -51.4 -54.6 78.0 67.5 64.4 64 65 A G H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.910 111.2 51.1 -58.5 -42.9 79.6 70.8 65.4 65 66 A T H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 142,-0.3 0.923 111.0 48.7 -62.5 -39.8 80.5 69.6 68.8 66 67 A H H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 141,-0.3 0.944 111.7 48.5 -63.6 -49.8 82.2 66.5 67.5 67 68 A V H X S+ 0 0 0 -4,-2.5 4,-1.8 -5,-0.2 3,-0.3 0.956 111.2 50.3 -59.7 -43.0 84.2 68.4 64.9 68 69 A A H X S+ 0 0 0 -4,-2.7 4,-3.3 1,-0.2 -1,-0.2 0.887 105.3 58.2 -64.5 -33.9 85.4 70.9 67.5 69 70 A G H X S+ 0 0 0 -4,-2.0 4,-2.5 138,-0.2 -1,-0.2 0.881 102.9 53.3 -60.9 -39.7 86.4 68.0 69.8 70 71 A T H < S+ 0 0 7 -4,-1.8 13,-2.5 -3,-0.3 14,-0.3 0.944 114.9 40.6 -67.0 -39.6 88.7 66.7 67.1 71 72 A V H < S+ 0 0 0 -4,-1.8 13,-2.7 11,-0.2 -2,-0.2 0.939 138.2 0.2 -68.5 -45.2 90.4 70.1 66.8 72 73 A A H < + 0 0 4 -4,-3.3 -29,-0.3 10,-0.2 -3,-0.2 0.195 62.9 155.8-145.4 29.7 90.6 71.0 70.4 73 74 A A < - 0 0 0 -4,-2.5 9,-2.4 -5,-0.1 -31,-0.2 -0.303 59.8 -96.5 -58.0 140.0 89.2 68.7 73.1 74 75 A L - 0 0 49 -33,-2.4 2,-1.1 7,-0.2 4,-0.2 -0.269 26.2-121.5 -64.6 144.3 91.2 69.7 76.3 75 76 A D S S+ 0 0 78 10,-0.2 2,-0.2 6,-0.1 -1,-0.1 -0.761 70.7 103.7 -87.8 101.0 94.2 67.8 77.3 76 77 A N S S- 0 0 58 -2,-1.1 -74,-0.1 4,-0.4 -35,-0.0 -0.599 85.0 -64.0-149.2-139.2 93.3 66.7 80.7 77 78 A T S S+ 0 0 109 -2,-0.2 2,-0.3 -76,-0.1 -2,-0.1 0.205 101.1 56.0-116.0 20.2 92.2 63.7 82.5 78 79 A T S S- 0 0 60 2,-0.2 -2,-0.3 -4,-0.2 -76,-0.2 -0.931 92.5 -4.6-145.9 166.3 89.0 63.1 81.0 79 80 A G S S- 0 0 8 -78,-0.5 -76,-3.5 -2,-0.3 2,-0.2 -0.276 99.1 -32.8 61.6-125.4 87.1 62.5 77.7 80 81 A V - 0 0 1 -78,-0.2 2,-0.4 -76,-0.1 -4,-0.4 -0.474 53.2-115.4-118.8-167.4 89.2 62.8 74.6 81 82 A L - 0 0 14 -78,-0.3 -7,-0.2 -2,-0.2 -8,-0.1 -1.000 23.9-137.6-138.2 126.2 92.3 64.8 73.3 82 83 A G - 0 0 0 -9,-2.4 -11,-0.2 -2,-0.4 -10,-0.2 -0.349 23.9-115.6 -80.4 165.5 92.3 67.3 70.4 83 84 A V S S+ 0 0 0 -13,-2.5 -11,-0.2 1,-0.3 -12,-0.2 0.881 116.9 18.6 -63.0 -39.6 94.9 67.6 67.7 84 85 A A S > S+ 0 0 0 -13,-2.7 3,-1.6 -14,-0.3 -1,-0.3 -0.675 76.1 176.3-137.9 71.5 95.6 71.1 69.1 85 86 A P T 3 S+ 0 0 8 0, 0.0 -10,-0.2 0, 0.0 -62,-0.1 0.628 73.3 55.8 -61.6 -15.9 94.2 71.2 72.6 86 87 A S T 3 S+ 0 0 56 -64,-2.1 -61,-0.7 -12,-0.1 -60,-0.2 0.313 79.1 123.1 -98.0 6.5 95.5 74.7 73.6 87 88 A V S < S- 0 0 10 -3,-1.6 2,-0.7 -65,-0.4 -60,-0.2 -0.295 70.8-112.4 -66.7 156.3 93.9 76.6 70.7 88 89 A S E -a 27 0A 29 -62,-2.7 -60,-3.0 -65,-0.4 2,-0.5 -0.827 42.4-150.5 -84.0 116.8 91.5 79.5 71.1 89 90 A L E -ac 28 44A 1 -2,-0.7 -44,-2.5 -46,-0.7 -43,-1.1 -0.794 16.9-173.0-104.2 126.1 88.2 78.0 69.8 90 91 A Y E -ac 29 46A 38 -62,-3.1 -60,-2.8 -2,-0.5 2,-0.7 -0.944 13.1-149.0-116.8 135.1 85.4 80.0 68.2 91 92 A A E -ac 30 47A 0 -45,-2.2 -43,-1.3 -2,-0.4 2,-0.6 -0.924 13.4-176.0-105.9 121.2 82.0 78.5 67.3 92 93 A V E -ac 31 48A 0 -62,-2.8 -60,-2.0 -2,-0.7 2,-0.7 -0.951 17.5-145.7-116.9 109.3 80.4 80.1 64.3 93 94 A K E +ac 32 49A 0 -45,-2.6 -43,-2.7 -2,-0.6 -42,-0.2 -0.702 41.7 142.5 -80.8 111.5 77.0 78.6 63.7 94 95 A V + 0 0 2 -62,-2.5 8,-0.4 -2,-0.7 2,-0.4 0.442 58.8 64.5-121.8 -10.5 76.2 78.4 59.9 95 96 A L S S- 0 0 10 -63,-2.2 6,-0.2 6,-0.2 -44,-0.1 -0.909 77.7-129.2-116.3 145.7 74.2 75.1 59.8 96 97 A N > - 0 0 50 4,-2.7 3,-2.7 -2,-0.4 -2,-0.1 -0.118 39.5 -80.2 -84.1-174.8 71.0 74.5 61.5 97 98 A S T 3 S+ 0 0 55 1,-0.3 -64,-0.1 2,-0.2 -1,-0.1 0.702 129.9 54.3 -55.1 -34.2 69.8 71.7 63.8 98 99 A S T 3 S- 0 0 98 2,-0.2 -1,-0.3 -37,-0.0 3,-0.1 0.277 121.8-106.6 -89.3 3.8 69.3 69.4 60.9 99 100 A G S < S+ 0 0 31 -3,-2.7 2,-0.3 1,-0.2 -2,-0.2 0.635 81.8 113.1 83.7 18.8 72.8 70.0 59.7 100 101 A S - 0 0 72 25,-0.1 -4,-2.7 -67,-0.1 2,-0.3 -0.844 38.5-177.0-126.5 154.4 72.0 72.2 56.7 101 102 A G - 0 0 40 -2,-0.3 2,-0.2 -6,-0.2 -6,-0.2 -0.956 24.9-108.6-143.5 171.0 72.7 75.8 55.9 102 103 A S > - 0 0 63 -8,-0.4 4,-2.5 -2,-0.3 5,-0.2 -0.650 29.8-119.9 -94.8 155.8 72.1 78.6 53.4 103 104 A Y H > S+ 0 0 106 -2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.888 115.2 49.4 -59.5 -43.4 74.9 80.0 51.2 104 105 A S H > S+ 0 0 81 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.932 108.6 52.6 -73.2 -28.9 74.4 83.5 52.6 105 106 A G H > S+ 0 0 7 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.943 113.3 44.5 -64.1 -43.6 74.6 82.1 56.1 106 107 A I H X S+ 0 0 14 -4,-2.5 4,-2.2 2,-0.2 5,-0.2 0.958 111.6 52.9 -60.9 -47.1 77.9 80.3 55.3 107 108 A V H X S+ 0 0 15 -4,-3.0 4,-2.7 1,-0.2 5,-0.2 0.946 107.5 51.7 -57.7 -44.4 79.2 83.3 53.6 108 109 A S H X S+ 0 0 42 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.941 108.9 51.4 -58.7 -44.8 78.5 85.5 56.7 109 110 A G H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.893 109.1 49.6 -60.1 -41.3 80.3 83.1 58.9 110 111 A I H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 5,-0.2 0.949 113.5 46.5 -66.5 -42.4 83.4 83.1 56.7 111 112 A E H X S+ 0 0 108 -4,-2.7 4,-2.9 -5,-0.2 -2,-0.2 0.917 110.1 52.9 -63.9 -38.4 83.4 86.9 56.6 112 113 A W H X S+ 0 0 54 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.922 110.4 49.1 -59.6 -46.5 82.9 87.1 60.4 113 114 A A H <>S+ 0 0 0 -4,-2.5 5,-2.6 -5,-0.2 -1,-0.2 0.900 112.0 47.0 -59.2 -44.9 85.8 84.8 60.8 114 115 A T H ><5S+ 0 0 19 -4,-2.2 3,-1.4 1,-0.2 -2,-0.2 0.946 114.9 46.7 -59.1 -49.2 88.0 86.9 58.5 115 116 A T H 3<5S+ 0 0 97 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.797 109.3 53.5 -63.3 -38.9 87.0 90.1 60.1 116 117 A N T 3<5S- 0 0 71 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.202 115.9-111.4 -86.5 13.4 87.5 88.8 63.6 117 118 A G T < 5 + 0 0 42 -3,-1.4 -90,-0.2 1,-0.2 -3,-0.2 0.827 49.2 172.8 70.1 32.9 91.0 87.7 62.8 118 119 A M < - 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