==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-DEC-02 1NDQ . COMPND 2 MOLECULE: SUBTILISIN SAVINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS LENTUS; . AUTHOR X.PAN,R.BOTT,C.E.GLATZ . 269 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9488.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 186 69.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 37 13.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 4.5 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 . 19 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 65 24.2 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 0 2 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 2 2 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 0 120 0, 0.0 2,-0.5 0, 0.0 77,-0.3 0.000 360.0 360.0 360.0 117.8 -12.1 53.4 17.8 2 2 A Q - 0 0 54 75,-0.2 2,-0.3 73,-0.1 77,-0.2 -0.808 360.0-160.5 -97.2 136.8 -8.5 54.4 17.5 3 3 A S - 0 0 50 75,-3.3 77,-0.1 -2,-0.5 74,-0.0 -0.840 13.0-137.4-110.3 155.5 -7.5 57.8 18.9 4 4 A V - 0 0 62 -2,-0.3 5,-0.1 75,-0.2 75,-0.1 -0.927 25.1-129.2-108.4 110.5 -4.3 59.8 18.0 5 5 A P >> - 0 0 14 0, 0.0 4,-1.5 0, 0.0 3,-0.7 -0.290 21.2-116.8 -58.2 145.7 -2.7 61.3 21.1 6 6 A W H 3> S+ 0 0 59 1,-0.3 4,-2.7 192,-0.2 5,-0.1 0.788 114.1 55.9 -53.8 -35.6 -2.0 65.0 20.8 7 7 A G H 3> S+ 0 0 2 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.905 102.3 54.5 -68.6 -40.7 1.8 64.4 21.0 8 8 A I H <4>S+ 0 0 2 -3,-0.7 5,-2.1 1,-0.2 -1,-0.2 0.894 113.3 43.0 -60.1 -40.4 1.8 62.0 18.1 9 9 A S H ><5S+ 0 0 60 -4,-1.5 3,-1.6 3,-0.2 -2,-0.2 0.933 108.8 58.7 -68.7 -44.1 0.1 64.6 16.0 10 10 A R H 3<5S+ 0 0 79 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.823 107.7 45.3 -59.1 -34.4 2.4 67.4 17.3 11 11 A V T 3<5S- 0 0 0 -4,-2.0 253,-2.5 -5,-0.1 254,-0.7 0.519 114.1-128.1 -86.4 -0.8 5.5 65.6 16.1 12 12 A Q T X>5 + 0 0 76 -3,-1.6 3,-1.1 -5,-0.2 4,-0.9 0.796 51.8 157.4 61.8 35.5 3.6 65.0 13.0 13 13 A A H >>< + 0 0 0 -5,-2.1 4,-2.0 1,-0.2 3,-0.6 0.871 65.1 63.3 -56.9 -39.0 4.1 61.3 12.8 14 14 A P H 3> S+ 0 0 40 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.824 94.9 60.7 -62.2 -22.9 1.0 60.6 10.6 15 15 A A H <> S+ 0 0 33 -3,-1.1 4,-0.8 1,-0.2 -2,-0.2 0.911 107.5 46.1 -63.8 -39.3 2.6 62.7 7.8 16 16 A A H X<>S+ 0 0 0 -4,-0.9 5,-2.5 -3,-0.6 3,-0.5 0.867 108.7 55.3 -69.1 -35.6 5.4 60.1 7.8 17 17 A H H ><5S+ 0 0 27 -4,-2.0 3,-1.5 1,-0.2 -1,-0.2 0.875 103.0 56.2 -64.3 -35.1 2.9 57.3 8.0 18 18 A N H 3<5S+ 0 0 149 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.718 101.8 56.9 -69.5 -24.8 1.3 58.7 4.8 19 19 A R T <<5S- 0 0 106 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.398 126.4-101.5 -83.8 3.7 4.6 58.5 3.1 20 20 A G T < 5S+ 0 0 49 -3,-1.5 2,-0.6 1,-0.2 -3,-0.2 0.649 81.7 131.4 86.0 16.5 4.8 54.8 3.9 21 21 A L < + 0 0 21 -5,-2.5 -1,-0.2 1,-0.1 -2,-0.2 -0.891 8.4 142.2-109.1 122.1 7.1 55.1 6.8 22 22 A T S S- 0 0 29 -2,-0.6 63,-2.8 61,-0.1 64,-0.7 0.340 74.7 -92.6-135.8 3.6 6.1 53.2 10.0 23 23 A G > + 0 0 0 1,-0.2 3,-1.8 203,-0.2 64,-0.3 0.604 62.3 171.8 92.2 15.9 9.4 51.9 11.4 24 24 A S T 3 + 0 0 66 1,-0.3 -1,-0.2 62,-0.1 62,-0.2 -0.343 67.3 13.5 -59.9 135.2 9.1 48.5 9.7 25 25 A G T 3 S+ 0 0 46 60,-0.5 2,-0.5 1,-0.2 -1,-0.3 0.577 97.5 124.0 76.0 8.1 12.3 46.4 10.1 26 26 A V < - 0 0 2 -3,-1.8 61,-3.0 59,-0.2 2,-0.6 -0.907 53.8-143.9-105.2 126.8 13.6 48.7 12.8 27 27 A K E -a 87 0A 71 -2,-0.5 91,-2.4 89,-0.2 92,-1.8 -0.802 18.2-174.5 -95.9 123.4 14.5 47.1 16.1 28 28 A V E -ab 88 119A 0 59,-3.0 61,-2.3 -2,-0.6 2,-0.5 -0.969 11.1-154.8-124.7 115.8 13.8 49.2 19.2 29 29 A A E -ab 89 120A 0 90,-2.8 92,-3.5 -2,-0.5 2,-0.7 -0.732 4.3-156.5 -88.3 127.4 14.8 48.2 22.8 30 30 A V E -ab 90 121A 2 59,-2.7 61,-2.5 -2,-0.5 2,-0.9 -0.931 5.0-161.6-104.3 107.7 12.8 49.7 25.6 31 31 A L E +ab 91 122A 0 90,-2.4 92,-0.5 -2,-0.7 61,-0.2 -0.823 50.4 93.6 -90.1 101.0 15.0 49.7 28.7 32 32 A D E S-a 92 0A 0 59,-1.8 61,-2.2 -2,-0.9 62,-1.9 -0.650 92.1 -42.5-161.0-150.2 12.4 50.1 31.5 33 33 A T S S- 0 0 2 1,-0.3 26,-0.8 59,-0.2 27,-0.2 0.300 95.5 -89.8 -86.6 8.5 10.1 48.2 33.9 34 34 A G - 0 0 1 57,-0.3 2,-0.4 24,-0.2 -1,-0.3 -0.535 40.2 -94.3 113.5 178.2 9.1 45.6 31.3 35 35 A I - 0 0 1 21,-2.3 2,-0.2 -2,-0.2 55,-0.1 -0.961 30.7-143.0-135.7 124.2 6.3 45.6 28.7 36 36 A S - 0 0 14 -2,-0.4 21,-0.1 21,-0.2 -2,-0.0 -0.569 31.0 -96.6 -82.8 144.3 3.0 43.9 29.3 37 38 A T + 0 0 99 -2,-0.2 169,-0.4 2,-0.0 168,-0.3 -0.295 54.3 171.0 -50.2 137.6 1.0 42.0 26.7 38 39 A H > - 0 0 7 3,-0.4 3,-2.0 167,-0.1 5,-0.1 -0.975 45.5-122.2-158.0 139.5 -1.6 44.3 25.3 39 40 A P T 3 S+ 0 0 71 0, 0.0 38,-0.1 0, 0.0 -1,-0.0 0.756 114.5 49.1 -59.9 -22.6 -4.1 44.2 22.3 40 41 A D T 3 S+ 0 0 0 32,-0.1 33,-2.4 35,-0.0 2,-0.3 0.180 105.9 68.0-104.7 20.4 -2.5 47.4 20.9 41 42 A L < - 0 0 13 -3,-2.0 2,-0.4 31,-0.2 -3,-0.4 -0.969 57.6-158.1-136.0 154.3 1.1 46.2 21.2 42 43 A N - 0 0 87 -2,-0.3 46,-0.7 29,-0.3 2,-0.6 -0.982 13.6-164.2-127.5 109.0 3.3 43.6 19.5 43 44 A I E -c 88 0A 46 -2,-0.4 46,-0.2 1,-0.1 3,-0.1 -0.887 7.8-170.0-103.3 122.1 6.4 42.6 21.6 44 45 A R E - 0 0 120 44,-2.6 2,-0.3 -2,-0.6 45,-0.2 0.688 57.3 -70.7 -82.3 -22.0 9.0 40.7 19.6 45 46 A G E +c 89 0A 28 43,-1.0 45,-3.5 11,-0.0 2,-0.3 -0.990 51.5 177.6 163.4-160.3 11.1 39.7 22.6 46 47 A G E -c 90 0A 31 -2,-0.3 2,-0.3 43,-0.3 45,-0.3 -0.973 22.1-109.1 157.1-167.7 13.4 40.9 25.3 47 48 A A E -c 91 0A 18 43,-1.4 45,-2.6 -2,-0.3 2,-0.5 -0.981 17.4-134.3-155.7 149.2 15.5 40.1 28.4 48 49 A S E +c 92 0A 30 -2,-0.3 45,-0.2 6,-0.2 8,-0.1 -0.935 18.7 175.1-114.8 137.0 15.4 40.9 32.1 49 50 A F + 0 0 51 43,-3.4 44,-0.1 -2,-0.5 -1,-0.1 0.201 47.6 114.3-122.1 17.1 18.3 42.0 34.1 50 51 A V S > S- 0 0 19 3,-0.5 3,-2.0 42,-0.4 2,-0.1 -0.768 77.9-108.8 -86.3 125.4 16.4 42.5 37.3 51 52 A P T 3 S+ 0 0 114 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.366 100.3 1.0 -55.0 122.0 17.4 40.1 40.1 52 53 A G T 3 S+ 0 0 81 -2,-0.1 3,-0.1 1,-0.1 -3,-0.0 0.516 105.4 101.0 73.5 10.7 14.7 37.6 40.6 53 54 A E < + 0 0 55 -3,-2.0 -3,-0.5 1,-0.1 -1,-0.1 -0.820 40.1 168.2-116.4 80.8 12.3 38.9 37.9 54 55 A P + 0 0 126 0, 0.0 -6,-0.2 0, 0.0 2,-0.2 0.646 54.3 77.8 -72.2 -14.5 12.9 36.5 35.1 55 56 A S S S- 0 0 62 1,-0.1 -8,-0.1 -8,-0.1 -2,-0.0 -0.582 72.1-142.3 -94.0 162.4 9.9 37.7 33.0 56 57 A T + 0 0 35 -2,-0.2 -21,-2.3 -21,-0.1 -1,-0.1 0.353 61.0 121.8-100.1 3.7 9.8 40.8 30.9 57 59 A Q - 0 0 79 -23,-0.2 2,-0.7 1,-0.1 -21,-0.2 -0.202 68.9-106.3 -67.1 166.7 6.2 41.7 31.8 58 60 A D + 0 0 11 -24,-0.2 -24,-0.2 1,-0.1 -1,-0.1 -0.791 35.3 172.8-102.0 110.3 5.5 45.0 33.4 59 61 A G S S+ 0 0 61 -26,-0.8 -1,-0.1 -2,-0.7 -25,-0.1 0.382 84.3 41.0 -94.7 8.4 4.6 45.1 37.1 60 62 A N S S- 0 0 57 -27,-0.2 -1,-0.1 -26,-0.0 -2,-0.1 0.720 92.2-131.2-115.6 -56.1 4.7 48.9 37.2 61 63 A G S > S+ 0 0 0 -27,-0.1 4,-1.9 -28,-0.1 5,-0.2 -0.051 80.4 99.2 122.0 -30.8 3.1 50.3 34.0 62 64 A H H > S+ 0 0 38 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.886 84.2 45.9 -58.5 -45.9 5.8 52.8 33.1 63 65 A G H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.890 110.8 51.4 -67.8 -43.8 7.5 50.6 30.4 64 66 A T H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 138,-0.4 0.871 112.4 48.5 -55.7 -40.8 4.2 49.5 28.7 65 67 A H H X S+ 0 0 0 -4,-1.9 4,-1.3 2,-0.2 137,-0.4 0.943 111.9 46.9 -69.2 -48.7 3.2 53.2 28.5 66 68 A V H X S+ 0 0 0 -4,-2.5 4,-1.4 1,-0.2 3,-0.4 0.918 110.6 55.5 -56.1 -42.7 6.6 54.2 27.1 67 69 A A H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.887 104.4 52.4 -61.6 -40.6 6.3 51.3 24.6 68 70 A G H X S+ 0 0 1 -4,-1.8 4,-1.9 134,-0.3 -1,-0.2 0.791 103.0 57.2 -68.7 -26.9 2.9 52.4 23.3 69 71 A T H < S+ 0 0 4 -4,-1.3 13,-2.1 -3,-0.4 -1,-0.2 0.891 115.3 39.4 -70.5 -34.9 4.2 55.9 22.5 70 72 A I H < S+ 0 0 0 -4,-1.4 13,-2.9 11,-0.2 -2,-0.2 0.924 139.4 1.4 -75.4 -46.9 6.8 54.4 20.3 71 73 A A H < + 0 0 4 -4,-2.9 -29,-0.3 10,-0.2 -3,-0.2 0.038 67.0 157.0-145.5 28.7 4.9 51.6 18.7 72 74 A A < - 0 0 0 -4,-1.9 9,-2.6 1,-0.1 -31,-0.2 -0.418 56.9 -98.1 -55.9 137.1 1.2 51.3 19.6 73 75 A L - 0 0 42 -33,-2.4 2,-0.9 7,-0.2 4,-0.2 -0.251 22.7-120.5 -70.5 146.1 -0.4 49.5 16.7 74 76 A N S S+ 0 0 99 10,-0.3 2,-0.2 6,-0.1 -1,-0.1 -0.706 70.9 98.2 -83.7 104.5 -2.2 51.1 13.8 75 77 A N S S- 0 0 57 -2,-0.9 -73,-0.1 2,-0.3 -35,-0.0 -0.713 88.1 -62.2-161.4-152.2 -5.6 49.6 13.9 76 78 A S S S+ 0 0 93 -2,-0.2 2,-0.3 -75,-0.1 -2,-0.1 0.325 103.9 60.3-101.2 11.2 -9.2 50.2 15.1 77 79 A I S S- 0 0 65 -4,-0.2 -2,-0.3 2,-0.2 -75,-0.2 -0.861 92.1 -10.5-132.1 166.2 -8.4 50.4 18.8 78 80 A G S S- 0 0 14 -77,-0.3 -75,-3.3 -2,-0.3 2,-0.2 -0.125 94.1 -38.1 60.0-127.9 -6.5 52.3 21.4 79 81 A V - 0 0 2 -77,-0.2 2,-0.4 -75,-0.1 -4,-0.3 -0.440 54.0-112.7-120.3-164.2 -3.9 54.8 20.4 80 82 A L - 0 0 8 -2,-0.2 -7,-0.2 -6,-0.1 2,-0.1 -0.996 21.3-136.3-141.1 133.0 -1.2 55.0 17.7 81 83 A G - 0 0 0 -9,-2.6 -11,-0.2 -2,-0.4 -10,-0.2 -0.375 24.1-117.3 -82.0 161.9 2.6 55.0 18.0 82 84 A V S S+ 0 0 0 -13,-2.1 -11,-0.2 1,-0.3 -12,-0.2 0.921 117.6 22.4 -59.9 -41.4 5.1 57.2 16.2 83 85 A A S > S+ 0 0 0 -13,-2.9 3,-2.0 -14,-0.2 -1,-0.3 -0.710 75.6 176.8-130.0 76.4 6.4 54.1 14.6 84 86 A P T 3 S+ 0 0 7 0, 0.0 -10,-0.3 0, 0.0 -61,-0.2 0.512 78.6 48.7 -71.9 -2.1 3.7 51.5 14.7 85 87 A S T 3 S+ 0 0 49 -63,-2.8 -60,-0.5 -12,-0.1 -62,-0.2 0.386 80.6 125.6-110.6 3.6 5.5 48.8 12.8 86 88 A A < - 0 0 7 -3,-2.0 2,-0.7 -64,-0.7 -59,-0.2 -0.258 69.1-113.7 -56.4 150.1 8.7 49.0 14.8 87 89 A E E -a 27 0A 44 -61,-3.0 -59,-3.0 -64,-0.3 2,-0.4 -0.873 36.0-148.7 -90.5 111.7 9.9 45.7 16.3 88 90 A L E -ac 28 43A 1 -46,-0.7 -44,-2.6 -2,-0.7 -43,-1.0 -0.701 15.4-171.9 -90.7 125.8 9.6 46.1 20.1 89 91 A Y E -ac 29 45A 33 -61,-2.3 -59,-2.7 -2,-0.4 2,-0.8 -0.960 17.3-141.7-118.5 126.2 12.0 44.4 22.6 90 92 A A E -ac 30 46A 0 -45,-3.5 -43,-1.4 -2,-0.5 2,-0.7 -0.764 19.8-179.1 -89.1 109.6 11.3 44.6 26.3 91 93 A V E -ac 31 47A 0 -61,-2.5 -59,-1.8 -2,-0.8 2,-0.7 -0.926 17.0-151.4-108.9 102.1 14.6 44.9 28.2 92 94 A K E +ac 32 48A 4 -45,-2.6 -43,-3.4 -2,-0.7 -42,-0.4 -0.693 38.9 143.8 -84.4 109.6 13.7 45.0 31.9 93 95 A V + 0 0 0 -61,-2.2 8,-0.5 -2,-0.7 2,-0.4 0.383 57.9 65.6-122.6 -6.4 16.2 47.0 33.9 94 96 A L S S- 0 0 8 -62,-1.9 6,-0.3 6,-0.2 -44,-0.1 -0.925 75.8-129.3-117.3 146.4 14.0 48.6 36.5 95 97 A G > - 0 0 11 4,-3.7 3,-2.8 -2,-0.4 4,-0.2 -0.248 42.3 -83.6 -81.7 176.2 11.9 46.8 39.2 96 98 A A T 3 S+ 0 0 51 1,-0.3 -63,-0.1 2,-0.2 -1,-0.1 0.746 127.8 63.1 -49.9 -30.0 8.2 47.2 40.0 97 99 A S T 3 S- 0 0 96 2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.478 119.0-111.1 -80.7 2.4 9.1 50.3 42.0 98 100 A G S < S+ 0 0 35 -3,-2.8 2,-0.3 1,-0.3 -2,-0.2 0.627 84.7 111.1 81.9 13.1 10.3 52.0 38.9 99 101 A S + 0 0 69 -4,-0.2 -4,-3.7 25,-0.1 -1,-0.3 -0.879 37.0 162.2-120.2 151.9 13.9 51.8 40.2 100 102 A G - 0 0 46 -2,-0.3 2,-0.3 -6,-0.3 -6,-0.2 -0.854 33.6 -96.3-149.4-170.6 16.9 49.9 39.2 101 103 A S > - 0 0 54 -8,-0.5 4,-2.4 -2,-0.3 5,-0.2 -0.778 28.9-118.8-110.5 158.4 20.7 49.7 39.6 102 104 A V H > S+ 0 0 49 -2,-0.3 4,-3.0 1,-0.2 5,-0.3 0.884 117.6 62.3 -62.7 -29.2 23.4 51.0 37.2 103 105 A S H > S+ 0 0 65 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.943 106.8 42.3 -56.3 -46.6 24.4 47.3 37.1 104 106 A S H > S+ 0 0 4 -3,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.915 114.7 49.3 -66.8 -45.4 21.0 46.4 35.6 105 107 A I H X S+ 0 0 9 -4,-2.4 4,-2.1 1,-0.2 5,-0.2 0.934 111.4 49.8 -61.5 -44.5 20.9 49.4 33.2 106 108 A A H X S+ 0 0 9 -4,-3.0 4,-2.4 -5,-0.2 -1,-0.2 0.920 108.4 52.3 -63.4 -41.1 24.4 48.7 31.9 107 109 A Q H X S+ 0 0 78 -4,-2.0 4,-2.3 -5,-0.3 -1,-0.2 0.867 108.8 51.8 -62.6 -35.2 23.6 45.0 31.3 108 110 A G H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.910 109.2 48.5 -64.2 -44.6 20.6 46.1 29.3 109 111 A L H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.878 110.7 52.3 -65.1 -38.4 22.6 48.4 27.1 110 112 A E H X S+ 0 0 93 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.949 110.1 47.8 -60.9 -48.5 25.2 45.6 26.6 111 113 A W H X S+ 0 0 49 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.888 109.2 53.4 -60.1 -42.2 22.4 43.2 25.5 112 114 A A H <>S+ 0 0 0 -4,-2.4 5,-2.2 2,-0.2 -1,-0.2 0.942 112.1 44.6 -59.1 -47.3 20.9 45.8 23.1 113 115 A G H ><5S+ 0 0 10 -4,-2.1 3,-1.1 1,-0.2 -1,-0.2 0.908 114.7 49.8 -61.0 -43.6 24.3 46.3 21.4 114 116 A N H 3<5S+ 0 0 125 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.767 111.6 48.1 -69.2 -26.8 24.9 42.6 21.3 115 117 A N T 3<5S- 0 0 74 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.153 115.1-107.9-105.8 22.8 21.5 41.8 19.8 116 118 A G T < 5 + 0 0 40 -3,-1.1 -89,-0.2 1,-0.2 -3,-0.2 0.724 51.4 172.2 71.6 26.1 21.6 44.4 17.0 117 119 A M < - 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