==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/ANTIBIOTIC 08-JUN-04 1TK2 . COMPND 2 MOLECULE: SUBTILISIN SAVINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS LENTUS; . AUTHOR V.S.BHATT,P.KAUR,S.KLUPSCH,C.BETZEL,S.BRENNER,T.P.SINGH . 279 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9736.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 192 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 13.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 5.4 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 . 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 . 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 . 21 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 63 22.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 . 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 1 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 1 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 0.000 360.0 360.0 360.0 162.0 15.8 -2.0 -3.1 2 2 A Q - 0 0 47 73,-0.2 2,-0.3 75,-0.2 77,-0.2 -0.795 360.0-155.0 -92.2 134.0 12.9 0.3 -2.3 3 3 A S - 0 0 63 75,-2.9 74,-0.0 -2,-0.4 77,-0.0 -0.776 10.7-138.9-101.7 149.3 12.3 1.7 1.2 4 4 A V - 0 0 65 -2,-0.3 75,-0.1 75,-0.2 5,-0.1 -0.927 27.4-128.2-105.0 110.8 9.0 2.7 2.7 5 5 A P >> - 0 0 14 0, 0.0 4,-1.7 0, 0.0 3,-0.9 -0.285 19.4-115.1 -57.1 148.0 9.4 5.9 4.6 6 6 A W H 3> S+ 0 0 57 1,-0.3 4,-2.6 192,-0.2 5,-0.1 0.857 114.4 55.4 -53.6 -39.6 8.1 5.9 8.2 7 7 A G H 3> S+ 0 0 2 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.839 103.2 53.1 -66.5 -33.3 5.5 8.5 7.3 8 8 A I H <4>S+ 0 0 2 -3,-0.9 5,-1.8 2,-0.2 -1,-0.2 0.918 113.6 44.5 -68.1 -44.3 4.0 6.6 4.4 9 9 A S H ><5S+ 0 0 61 -4,-1.7 3,-1.6 1,-0.2 -2,-0.2 0.911 109.4 57.1 -64.1 -39.4 3.5 3.6 6.7 10 10 A R H 3<5S+ 0 0 80 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.855 105.8 48.1 -64.4 -37.4 2.1 5.8 9.5 11 11 A V T 3<5S- 0 0 0 -4,-1.7 253,-3.2 -5,-0.1 254,-0.5 0.413 113.6-121.8 -83.9 2.6 -0.6 7.2 7.3 12 12 A Q T <>5 + 0 0 79 -3,-1.6 4,-1.1 251,-0.2 3,-0.4 0.769 60.0 149.5 67.3 30.7 -1.5 3.6 6.3 13 13 A A H >< + 0 0 0 -5,-1.8 4,-2.4 1,-0.2 3,-0.5 0.884 64.6 64.0 -59.5 -41.1 -1.0 4.2 2.5 14 14 A P H > S+ 0 0 50 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.882 98.0 55.5 -53.9 -36.0 0.2 0.6 2.0 15 15 A A H 4 S+ 0 0 36 -3,-0.4 4,-0.5 2,-0.2 -2,-0.2 0.891 108.9 47.2 -62.2 -43.4 -3.2 -0.7 3.1 16 16 A A H ><>S+ 0 0 0 -4,-1.1 5,-2.0 -3,-0.5 3,-1.4 0.906 109.4 54.1 -60.1 -43.1 -4.8 1.5 0.4 17 17 A H H ><5S+ 0 0 32 -4,-2.4 3,-2.0 1,-0.3 -2,-0.2 0.890 101.1 59.8 -61.8 -35.9 -2.3 0.2 -2.2 18 18 A N T 3<5S+ 0 0 149 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.672 101.5 54.1 -65.1 -20.4 -3.3 -3.3 -1.3 19 19 A R T < 5S- 0 0 109 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.363 126.6-101.6 -88.4 -3.3 -6.8 -2.5 -2.4 20 20 A G T < 5S+ 0 0 46 -3,-2.0 2,-0.8 1,-0.2 -3,-0.2 0.585 80.4 136.7 91.0 12.6 -5.5 -1.3 -5.8 21 21 A L < + 0 0 16 -5,-2.0 -1,-0.2 1,-0.1 -2,-0.2 -0.842 6.5 139.6 -99.1 109.9 -5.8 2.4 -4.8 22 22 A T S S- 0 0 30 -2,-0.8 63,-2.7 61,-0.1 64,-0.6 0.317 76.6 -94.7-129.1 -1.8 -2.7 4.2 -6.0 23 23 A G > + 0 0 0 1,-0.2 3,-2.0 62,-0.2 64,-0.4 0.529 60.6 175.3 91.5 14.2 -4.0 7.5 -7.3 24 24 A S T 3 + 0 0 68 1,-0.3 -1,-0.2 62,-0.1 62,-0.2 -0.215 66.7 10.2 -56.2 132.3 -4.2 6.3 -10.9 25 25 A G T 3 S+ 0 0 45 60,-0.6 2,-0.5 1,-0.2 -1,-0.3 0.403 96.4 125.4 80.9 -1.2 -5.8 8.9 -13.2 26 26 A V < - 0 0 5 -3,-2.0 61,-2.8 59,-0.2 2,-0.6 -0.796 53.5-142.0 -97.9 125.8 -5.8 11.7 -10.6 27 27 A K E -a 87 0A 45 -2,-0.5 91,-2.6 89,-0.3 92,-1.6 -0.735 20.2-176.7 -92.3 122.9 -4.1 15.0 -11.5 28 28 A V E -ab 88 119A 0 59,-2.7 61,-2.6 -2,-0.6 2,-0.4 -0.978 12.1-153.8-123.4 123.5 -2.1 16.7 -8.7 29 29 A A E -ab 89 120A 0 90,-2.9 92,-2.8 -2,-0.5 2,-0.7 -0.841 3.2-155.3 -97.6 130.8 -0.4 20.0 -9.1 30 30 A V E -ab 90 121A 1 59,-2.6 61,-2.4 -2,-0.4 2,-0.9 -0.941 6.0-161.5-107.5 106.4 2.6 20.8 -6.8 31 31 A L E +ab 91 122A 0 90,-2.5 92,-0.7 -2,-0.7 2,-0.2 -0.804 51.5 92.9 -91.2 102.4 3.0 24.6 -6.5 32 32 A D E S-a 92 0A 0 59,-1.7 61,-2.2 -2,-0.9 62,-1.8 -0.686 92.8 -43.5-163.1-150.4 6.5 24.9 -5.3 33 33 A T S S- 0 0 0 1,-0.3 26,-0.6 -2,-0.2 27,-0.3 0.321 95.5 -87.5 -87.6 9.9 10.1 25.4 -6.5 34 34 A G - 0 0 1 57,-0.3 2,-0.4 -4,-0.2 -1,-0.3 -0.584 38.4 -97.8 109.6 176.3 9.8 23.0 -9.4 35 35 A I - 0 0 1 21,-2.4 2,-0.2 -2,-0.2 55,-0.1 -0.953 31.4-140.9-135.4 120.6 10.2 19.2 -9.6 36 37 A S - 0 0 13 -2,-0.4 21,-0.1 21,-0.2 -2,-0.0 -0.582 31.0 -98.7 -80.8 143.7 13.5 17.8 -11.0 37 38 A T + 0 0 92 -2,-0.2 169,-0.4 2,-0.0 168,-0.3 -0.346 54.8 173.3 -55.6 139.7 13.5 14.8 -13.2 38 39 A H > - 0 0 12 3,-0.4 3,-2.0 167,-0.1 5,-0.1 -0.989 45.3-119.9-155.7 140.5 14.3 11.8 -11.0 39 40 A P T 3 S+ 0 0 73 0, 0.0 38,-0.1 0, 0.0 -1,-0.1 0.769 115.2 49.7 -59.7 -21.9 14.4 8.0 -11.5 40 41 A D T 3 S+ 0 0 0 32,-0.0 33,-2.5 35,-0.0 2,-0.3 0.197 105.6 67.9-102.6 16.1 11.8 7.6 -8.8 41 42 A L < - 0 0 15 -3,-2.0 2,-0.5 31,-0.2 -3,-0.4 -0.978 58.9-156.8-131.5 149.2 9.3 10.2 -10.2 42 43 A N - 0 0 105 -2,-0.3 46,-0.7 29,-0.3 2,-0.6 -0.983 16.1-163.2-120.3 115.2 7.1 10.5 -13.3 43 44 A I E -c 88 0A 42 -2,-0.5 46,-0.2 1,-0.1 3,-0.1 -0.901 7.9-168.8-102.2 122.3 6.4 14.1 -14.1 44 45 A R E - 0 0 129 44,-2.8 2,-0.3 -2,-0.6 45,-0.2 0.679 54.7 -71.6 -86.6 -16.8 3.5 14.6 -16.4 45 46 A G E +c 89 0A 28 43,-0.9 45,-2.9 11,-0.0 2,-0.3 -0.989 52.7 167.4 161.4-157.1 3.9 18.3 -17.2 46 47 A G E -c 90 0A 31 -2,-0.3 2,-0.3 43,-0.3 45,-0.2 -0.922 24.5-110.3 143.0-167.3 3.6 21.7 -15.7 47 48 A A E -c 91 0A 22 43,-1.7 45,-2.6 -2,-0.3 2,-0.4 -0.975 15.9-129.3-158.3 158.9 4.4 25.4 -16.1 48 49 A S E +c 92 0A 32 -2,-0.3 45,-0.2 6,-0.2 8,-0.1 -0.978 17.6 176.5-122.3 136.5 6.6 28.0 -14.6 49 50 A F + 0 0 45 43,-2.8 44,-0.1 -2,-0.4 58,-0.1 0.040 51.6 109.2-116.7 18.8 5.6 31.5 -13.4 50 51 A V S > S- 0 0 21 3,-0.5 3,-2.1 42,-0.2 44,-0.1 -0.861 71.5-125.6-100.0 116.6 8.9 32.6 -12.0 51 52 A P T 3 S+ 0 0 120 0, 0.0 -2,-0.1 0, 0.0 44,-0.0 -0.397 96.2 20.8 -58.0 132.1 10.7 35.2 -14.1 52 53 A G T 3 S+ 0 0 80 -2,-0.1 -2,-0.0 43,-0.0 43,-0.0 0.330 110.3 80.4 90.7 -7.9 14.2 34.0 -15.0 53 54 A E < + 0 0 46 -3,-2.1 -3,-0.5 1,-0.1 39,-0.1 -0.662 48.9 166.2-130.1 82.3 13.4 30.4 -14.5 54 55 A P + 0 0 122 0, 0.0 -6,-0.2 0, 0.0 2,-0.2 0.672 55.4 73.7 -71.0 -21.0 11.6 29.1 -17.6 55 56 A S S S- 0 0 59 1,-0.1 -8,-0.1 2,-0.1 -2,-0.0 -0.511 78.6-130.6 -94.4 163.5 11.9 25.4 -16.9 56 57 A T + 0 0 35 -2,-0.2 -21,-2.4 -8,-0.1 -1,-0.1 0.374 68.6 122.5 -89.0 2.0 10.0 23.4 -14.3 57 59 A Q - 0 0 72 -23,-0.2 2,-0.7 1,-0.1 -21,-0.2 -0.322 67.4-114.2 -63.0 152.3 13.3 21.9 -13.0 58 60 A D + 0 0 10 1,-0.1 -24,-0.2 -24,-0.1 -1,-0.1 -0.770 33.0 175.2-101.9 110.8 14.0 22.4 -9.3 59 61 A G S S+ 0 0 58 -2,-0.7 -1,-0.1 -26,-0.6 -25,-0.1 0.393 83.1 43.5 -88.6 1.2 17.0 24.5 -8.3 60 62 A N S S- 0 0 47 -27,-0.3 -1,-0.1 38,-0.0 36,-0.1 0.784 92.1-132.1-108.6 -52.2 16.2 24.4 -4.6 61 63 A G S > S+ 0 0 0 -28,-0.1 4,-2.0 -27,-0.1 5,-0.2 -0.050 80.6 98.4 117.8 -27.4 15.2 20.8 -3.7 62 64 A H H > S+ 0 0 14 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.928 82.9 46.9 -59.9 -49.8 12.0 21.6 -1.8 63 65 A G H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.862 111.2 51.3 -62.9 -38.2 9.6 20.9 -4.5 64 66 A T H > S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 138,-0.3 0.879 111.0 48.8 -66.0 -39.2 11.2 17.6 -5.6 65 67 A H H X S+ 0 0 0 -4,-2.0 4,-1.2 2,-0.2 137,-0.3 0.952 112.2 47.6 -67.6 -47.1 11.1 16.4 -2.0 66 68 A V H >X S+ 0 0 0 -4,-2.6 4,-1.4 1,-0.2 3,-0.6 0.931 109.5 55.2 -57.7 -44.7 7.4 17.4 -1.6 67 69 A A H 3X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.876 103.5 54.6 -59.8 -37.8 6.6 15.6 -4.9 68 70 A G H 3X S+ 0 0 1 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.813 101.6 56.9 -72.7 -24.9 8.1 12.3 -3.8 69 71 A T H << S+ 0 0 3 -4,-1.2 13,-2.3 -3,-0.6 -1,-0.2 0.884 113.9 41.5 -68.6 -38.9 6.0 12.2 -0.7 70 72 A I H < S- 0 0 0 -4,-1.4 13,-3.0 11,-0.2 -2,-0.2 0.947 138.9 -1.4 -67.8 -48.7 2.9 12.4 -2.9 71 73 A A H < + 0 0 3 -4,-2.7 -29,-0.3 10,-0.2 -3,-0.2 0.100 65.7 156.9-146.5 24.7 4.0 10.1 -5.7 72 74 A A < - 0 0 0 -4,-2.0 9,-2.6 -5,-0.1 -31,-0.2 -0.343 57.8 -97.8 -54.9 140.8 7.4 8.5 -5.6 73 75 A L - 0 0 48 -33,-2.5 2,-0.9 7,-0.2 4,-0.2 -0.258 21.0-122.1 -74.7 148.5 7.0 5.4 -7.8 74 76 A N S S+ 0 0 106 10,-0.2 2,-0.2 6,-0.1 -1,-0.1 -0.817 71.0 103.0 -89.1 105.4 6.3 1.9 -6.7 75 77 A N S S- 0 0 60 -2,-0.9 -73,-0.2 2,-0.4 -35,-0.0 -0.660 87.4 -66.6-157.1-151.0 9.3 -0.0 -8.1 76 78 A S S S+ 0 0 88 -2,-0.2 2,-0.3 -75,-0.1 -2,-0.1 0.240 103.3 60.9-107.3 16.9 12.6 -1.5 -7.0 77 79 A I S S- 0 0 62 2,-0.2 -2,-0.4 -4,-0.2 -75,-0.2 -0.876 92.6 -11.5-136.2 164.3 14.4 1.7 -6.1 78 80 A G S S- 0 0 13 -77,-0.3 -75,-2.9 -2,-0.3 2,-0.1 -0.131 94.1 -36.4 60.4-129.4 14.2 4.8 -3.8 79 81 A V - 0 0 3 -77,-0.2 2,-0.3 -75,-0.1 -4,-0.3 -0.343 52.0-114.3-119.8-161.5 11.1 5.5 -1.8 80 82 A L - 0 0 11 -2,-0.1 -7,-0.2 -6,-0.1 -72,-0.1 -0.989 20.2-139.6-147.9 129.1 7.3 5.2 -2.2 81 83 A G - 0 0 0 -9,-2.6 -11,-0.2 -2,-0.3 -10,-0.2 -0.336 26.1-114.5 -83.5 168.1 4.7 7.9 -2.3 82 84 A V S S+ 0 0 0 -13,-2.3 -11,-0.2 1,-0.3 -12,-0.2 0.895 118.9 23.0 -64.2 -37.3 1.2 7.9 -0.8 83 85 A A S > S+ 0 0 0 -13,-3.0 3,-2.2 -14,-0.2 -1,-0.3 -0.703 75.2 176.5-131.4 76.3 -0.3 7.9 -4.3 84 86 A P T 3 S+ 0 0 5 0, 0.0 -10,-0.2 0, 0.0 -61,-0.2 0.623 79.4 48.0 -66.6 -14.9 2.5 6.4 -6.5 85 87 A S T 3 S+ 0 0 58 -63,-2.7 -60,-0.6 -12,-0.1 -62,-0.2 0.318 81.7 125.0-106.4 7.0 0.3 6.4 -9.6 86 88 A A < - 0 0 8 -3,-2.2 2,-0.8 -64,-0.6 -59,-0.2 -0.306 68.8-115.0 -61.2 150.3 -0.9 10.0 -9.3 87 89 A E E -a 27 0A 43 -61,-2.8 -59,-2.7 -64,-0.4 2,-0.4 -0.812 35.4-152.2 -92.0 106.6 -0.2 12.3 -12.3 88 90 A L E -ac 28 43A 0 -2,-0.8 -44,-2.8 -46,-0.7 -43,-0.9 -0.667 12.7-169.8 -90.0 130.2 2.2 14.9 -11.1 89 91 A Y E -ac 29 45A 28 -61,-2.6 -59,-2.6 -2,-0.4 2,-0.7 -0.975 16.7-140.6-118.5 129.3 2.3 18.4 -12.5 90 92 A A E -ac 30 46A 0 -45,-2.9 -43,-1.7 -2,-0.5 2,-0.7 -0.809 19.4-178.2 -90.8 111.6 5.1 20.7 -11.6 91 93 A V E -ac 31 47A 0 -61,-2.4 -59,-1.7 -2,-0.7 2,-0.7 -0.901 16.2-152.4-111.8 101.2 3.8 24.3 -11.2 92 94 A K E +ac 32 48A 3 -45,-2.6 -43,-2.8 -2,-0.7 -42,-0.2 -0.665 37.9 145.5 -83.2 112.9 6.8 26.5 -10.4 93 95 A V + 0 0 0 -61,-2.2 8,-0.4 -2,-0.7 2,-0.4 0.403 61.4 57.8-120.1 -8.3 5.7 29.5 -8.3 94 96 A L S S- 0 0 0 -62,-1.8 6,-0.2 6,-0.2 -44,-0.1 -0.951 79.6-129.0-124.1 144.6 8.8 29.8 -6.1 95 97 A G > - 0 0 8 4,-2.5 3,-2.2 -2,-0.4 -2,-0.1 -0.196 38.9 -84.9 -83.1 179.7 12.4 30.3 -7.4 96 98 A A T 3 S+ 0 0 39 1,-0.3 -63,-0.1 2,-0.1 -1,-0.1 0.778 127.7 60.9 -59.0 -27.1 15.6 28.5 -6.5 97 99 A S T 3 S- 0 0 95 2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.629 116.6-114.4 -73.3 -13.8 16.0 30.7 -3.5 98 100 A G S < S+ 0 0 2 -3,-2.2 179,-0.6 1,-0.3 2,-0.3 0.449 79.6 110.0 93.2 0.6 12.7 29.5 -2.1 99 101 A S B +j 277 0B 47 177,-0.2 -4,-2.5 -66,-0.0 -1,-0.3 -0.753 36.4 166.1-108.2 157.6 10.8 32.7 -2.3 100 102 A G - 0 0 23 177,-1.2 179,-0.4 -2,-0.3 2,-0.3 -0.909 31.3-104.6-150.9 178.3 8.0 33.8 -4.6 101 103 A S > - 0 0 50 -8,-0.4 4,-2.1 -2,-0.3 5,-0.2 -0.766 27.9-116.8-106.7 160.0 5.4 36.5 -5.0 102 104 A V H > S+ 0 0 15 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.876 116.5 59.5 -60.1 -37.2 1.7 36.4 -4.4 103 105 A S H > S+ 0 0 79 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.917 105.6 46.9 -57.1 -44.3 1.2 37.1 -8.1 104 106 A S H > S+ 0 0 9 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.911 112.2 49.5 -67.5 -41.5 3.2 33.9 -9.1 105 107 A I H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.919 110.8 49.9 -61.8 -44.4 1.3 31.8 -6.6 106 108 A A H X S+ 0 0 12 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.904 108.0 53.5 -62.3 -39.2 -2.0 33.1 -7.9 107 109 A Q H X S+ 0 0 93 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.902 108.6 51.1 -59.0 -41.5 -1.0 32.4 -11.4 108 110 A G H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.874 109.5 48.9 -62.3 -41.6 -0.2 28.8 -10.4 109 111 A L H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.882 111.1 49.9 -67.0 -40.4 -3.6 28.4 -8.8 110 112 A E H X S+ 0 0 74 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.920 110.2 51.4 -62.8 -40.6 -5.3 29.8 -11.9 111 113 A W H X S+ 0 0 50 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.919 108.2 51.9 -60.4 -45.1 -3.3 27.3 -14.0 112 114 A A H <>S+ 0 0 0 -4,-2.3 5,-2.0 1,-0.2 -1,-0.2 0.905 113.4 43.8 -60.7 -41.3 -4.4 24.4 -11.8 113 115 A G H ><5S+ 0 0 12 -4,-2.0 3,-0.7 1,-0.2 -1,-0.2 0.871 114.3 49.1 -73.1 -35.1 -8.1 25.4 -12.1 114 116 A N H 3<5S+ 0 0 116 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.770 112.8 47.6 -74.2 -23.8 -7.9 26.0 -15.8 115 117 A N T 3<5S- 0 0 81 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.145 114.8-102.2-112.5 19.8 -6.1 22.7 -16.6 116 118 A G T < 5 + 0 0 42 -3,-0.7 -89,-0.3 1,-0.2 2,-0.2 0.719 57.3 162.5 76.5 23.3 -8.1 20.2 -14.7 117 119 A M < - 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