==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER APOPTOSIS 09-MAR-09 3GJQ . COMPND 2 MOLECULE: CASPASE-3 SUBUNIT P17; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.FANG,G.FU,J.AGNISWAMY,R.W.HARRISON,I.T.WEBER . 474 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18739.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 340 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 68 14.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 50 10.5 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 . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.8 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 . 47 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 106 22.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.6 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 0 2 0 0 0 0 0 0 2 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 0 0 2 4 0 2 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 . 2 8 3 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 4 0 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 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 34 A D 0 0 145 0, 0.0 4,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 5.2 21.5 58.5 27.8 2 35 A N + 0 0 54 227,-0.1 228,-4.0 1,-0.1 2,-0.4 0.651 360.0 60.0 -88.5 -18.5 24.9 57.6 29.3 3 36 A S B S-a 230 0A 53 226,-0.2 228,-0.2 228,-0.0 -1,-0.1 -0.930 86.6-112.4-119.7 138.1 23.5 57.2 32.8 4 37 A Y - 0 0 12 226,-2.1 2,-0.5 -2,-0.4 228,-0.2 -0.297 42.0-101.3 -59.7 143.4 20.9 54.9 34.2 5 38 A K + 0 0 109 1,-0.2 3,-0.1 2,-0.1 -1,-0.1 -0.569 49.1 164.7 -70.8 115.1 17.7 56.5 35.4 6 39 A M + 0 0 25 -2,-0.5 -1,-0.2 1,-0.1 73,-0.1 0.118 51.4 91.6-118.3 15.9 18.0 56.7 39.2 7 40 A D + 0 0 114 227,-0.1 -1,-0.1 72,-0.1 4,-0.1 0.075 54.0 128.7 -98.9 22.2 15.2 59.2 39.7 8 41 A Y S S- 0 0 69 2,-0.2 71,-0.1 -3,-0.1 70,-0.1 -0.286 79.6 -99.7 -69.1 165.3 12.5 56.6 40.2 9 42 A P S S+ 0 0 105 0, 0.0 2,-0.4 0, 0.0 69,-0.2 0.881 110.3 30.5 -53.5 -39.4 10.3 57.0 43.4 10 43 A E E -b 78 0B 68 67,-2.0 69,-1.9 1,-0.1 70,-0.2 -0.960 69.0-142.3-125.0 140.4 12.5 54.3 45.1 11 44 A M E - 0 0 24 38,-0.7 69,-1.4 -2,-0.4 2,-0.2 0.876 60.3-113.3 -64.8 -39.4 16.2 53.4 44.6 12 45 A G E -b 80 0B 2 37,-0.4 39,-2.4 67,-0.2 -1,-0.2 -0.783 35.8 -45.9 134.5-178.1 15.3 49.7 45.0 13 46 A L E -bc 81 51B 0 67,-0.6 69,-1.7 -2,-0.2 39,-0.2 -0.400 33.0-158.2 -85.0 166.9 15.8 46.7 47.3 14 47 A C E -bc 82 52B 0 37,-1.5 39,-1.6 67,-0.2 2,-0.4 -0.663 10.5-166.4-147.4 82.4 19.0 45.5 48.8 15 48 A I E -bc 83 53B 2 67,-1.8 69,-3.3 -2,-0.2 2,-0.5 -0.609 3.8-171.1 -76.6 126.1 18.9 41.9 49.8 16 49 A I E -bc 84 54B 0 37,-2.0 39,-2.4 -2,-0.4 2,-0.9 -0.937 7.3-163.2-121.8 107.6 21.7 40.8 52.1 17 50 A I E -bc 85 55B 5 67,-2.7 69,-2.4 -2,-0.5 2,-0.7 -0.798 10.8-169.6 -93.8 106.5 22.1 37.1 52.7 18 51 A N E -bc 86 56B 3 37,-3.4 39,-2.8 -2,-0.9 2,-0.6 -0.851 6.0-179.3-102.0 108.3 24.3 36.7 55.8 19 52 A N + 0 0 1 67,-2.2 12,-0.1 -2,-0.7 3,-0.1 -0.926 19.8 146.0-111.8 118.6 25.5 33.1 56.5 20 53 A K + 0 0 44 -2,-0.6 11,-1.5 1,-0.2 2,-0.5 0.713 59.6 55.3-117.2 -36.4 27.7 32.5 59.5 21 54 A N - 0 0 77 9,-0.2 2,-0.3 10,-0.1 -1,-0.2 -0.882 63.0-170.1-108.5 131.4 26.8 29.1 60.9 22 55 A F - 0 0 26 -2,-0.5 76,-0.2 6,-0.4 75,-0.1 -0.844 32.9 -90.3-118.7 154.9 27.0 25.9 58.8 23 56 A H >> - 0 0 106 74,-2.9 3,-1.3 -2,-0.3 4,-0.7 -0.281 32.3-123.6 -61.2 144.5 25.8 22.4 59.4 24 57 A K T 34 S+ 0 0 200 1,-0.3 3,-0.2 2,-0.2 -1,-0.1 0.738 108.7 65.5 -61.1 -23.4 28.3 20.0 61.0 25 58 A S T 34 S+ 0 0 98 1,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.047 97.9 55.0 -89.2 26.9 27.9 17.7 58.0 26 59 A T T <4 S- 0 0 38 -3,-1.3 -1,-0.2 2,-0.1 -2,-0.2 0.587 98.1-127.5-126.0 -30.7 29.4 20.2 55.6 27 60 A G < + 0 0 68 -4,-0.7 2,-0.5 -3,-0.2 -3,-0.1 0.907 52.4 146.8 81.1 44.9 32.8 21.0 57.1 28 61 A M - 0 0 41 -5,-0.5 -6,-0.4 69,-0.1 2,-0.3 -0.959 44.7-132.0-119.8 126.3 32.6 24.8 57.2 29 62 A T - 0 0 93 -2,-0.5 -8,-0.0 1,-0.1 0, 0.0 -0.560 40.8 -96.3 -73.8 129.6 34.2 27.0 59.9 30 63 A S - 0 0 54 -2,-0.3 2,-1.8 1,-0.2 -9,-0.2 -0.162 36.9-121.7 -46.0 129.7 31.8 29.6 61.3 31 64 A R > - 0 0 0 -11,-1.5 3,-1.5 -12,-0.1 2,-0.3 -0.534 32.0-162.5 -81.1 80.5 32.5 32.9 59.4 32 65 A S T 3 S+ 0 0 39 -2,-1.8 138,-0.2 1,-0.2 440,-0.2 -0.474 71.7 29.5 -69.3 122.8 33.4 35.1 62.4 33 66 A G T >> S+ 0 0 5 -2,-0.3 3,-1.5 135,-0.1 4,-1.5 0.019 81.8 107.2 119.6 -25.2 33.2 38.8 61.5 34 67 A T H <> S+ 0 0 0 -3,-1.5 4,-2.7 1,-0.3 5,-0.1 0.707 73.1 66.8 -58.0 -19.5 30.5 38.5 58.8 35 68 A D H 3> S+ 0 0 76 -4,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.875 100.2 48.2 -68.3 -38.5 28.2 40.1 61.4 36 69 A V H <> S+ 0 0 62 -3,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.915 112.3 49.1 -67.7 -42.9 30.2 43.3 61.2 37 70 A D H X S+ 0 0 0 -4,-1.5 4,-2.7 2,-0.2 5,-0.2 0.946 109.9 50.8 -61.3 -49.1 30.1 43.2 57.4 38 71 A A H X S+ 0 0 6 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.925 115.3 42.7 -55.0 -46.5 26.3 42.7 57.4 39 72 A A H X S+ 0 0 61 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.843 112.1 53.1 -68.8 -36.8 25.8 45.6 59.7 40 73 A N H X S+ 0 0 57 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.913 110.4 48.7 -65.3 -41.9 28.2 47.8 57.9 41 74 A L H X S+ 0 0 0 -4,-2.7 4,-3.4 2,-0.2 5,-0.4 0.951 106.4 56.5 -61.2 -52.1 26.4 47.2 54.6 42 75 A R H X S+ 0 0 125 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.895 111.8 41.3 -47.4 -50.5 23.0 47.9 56.1 43 76 A E H X S+ 0 0 91 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.917 114.6 52.0 -68.4 -42.2 24.0 51.4 57.2 44 77 A T H X S+ 0 0 15 -4,-2.2 4,-1.1 1,-0.2 3,-0.3 0.959 115.1 40.9 -58.7 -51.9 26.0 52.1 54.0 45 78 A F H <>S+ 0 0 3 -4,-3.4 5,-2.3 1,-0.2 -1,-0.2 0.803 107.9 60.9 -69.2 -28.2 23.0 51.1 51.8 46 79 A R H ><5S+ 0 0 134 -4,-1.9 3,-1.3 -5,-0.4 -1,-0.2 0.888 104.0 51.2 -66.1 -34.3 20.5 52.8 54.0 47 80 A N H 3<5S+ 0 0 96 -4,-1.7 -1,-0.2 -3,-0.3 -2,-0.2 0.834 103.2 58.2 -69.1 -28.9 22.3 56.1 53.3 48 81 A L T 3<5S- 0 0 21 -4,-1.1 -1,-0.3 -5,-0.1 -2,-0.2 0.375 124.0-108.4 -78.7 2.6 22.2 55.4 49.6 49 82 A K T < 5 + 0 0 154 -3,-1.3 -38,-0.7 1,-0.2 -37,-0.4 0.744 67.5 149.7 74.9 32.0 18.4 55.3 50.1 50 83 A Y < - 0 0 11 -5,-2.3 2,-1.2 -39,-0.2 -1,-0.2 -0.682 54.9-120.6 -96.1 148.6 17.9 51.5 49.7 51 84 A E E -c 13 0B 85 -39,-2.4 -37,-1.5 -2,-0.3 2,-0.5 -0.747 39.9-155.0 -84.4 98.5 15.2 49.4 51.3 52 85 A V E -c 14 0B 26 -2,-1.2 2,-0.5 -39,-0.2 -37,-0.2 -0.675 17.0-176.5 -83.9 126.1 17.5 47.0 53.1 53 86 A R E -c 15 0B 81 -39,-1.6 -37,-2.0 -2,-0.5 2,-0.3 -0.962 11.0-157.9-124.1 112.7 16.3 43.6 54.0 54 87 A N E -c 16 0B 48 -2,-0.5 2,-0.4 -39,-0.2 -37,-0.2 -0.675 8.4-173.0 -91.1 144.2 18.7 41.4 56.0 55 88 A K E -c 17 0B 97 -39,-2.4 -37,-3.4 -2,-0.3 2,-0.4 -1.000 8.2-153.0-137.1 135.8 18.5 37.6 56.1 56 89 A N E -c 18 0B 91 -2,-0.4 -37,-0.2 1,-0.2 -39,-0.1 -0.877 60.0 -8.4-117.7 144.9 20.6 35.3 58.3 57 90 A D S S- 0 0 61 -39,-2.8 2,-0.3 -2,-0.4 -1,-0.2 0.900 75.5-175.3 45.3 67.5 21.8 31.7 58.0 58 91 A L - 0 0 6 -3,-0.2 39,-3.0 4,-0.0 40,-0.2 -0.699 16.5-136.5 -98.9 149.6 19.9 30.5 54.9 59 92 A T > - 0 0 27 -2,-0.3 4,-3.0 37,-0.3 5,-0.2 -0.445 35.1 -95.4 -92.1 169.6 19.8 27.1 53.4 60 93 A R H > S+ 0 0 108 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.948 125.7 41.5 -44.8 -64.5 20.0 26.1 49.7 61 94 A E H > S+ 0 0 95 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.933 113.9 51.2 -51.8 -56.4 16.3 26.0 49.3 62 95 A E H > S+ 0 0 97 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.873 110.7 50.2 -52.3 -41.5 15.6 29.1 51.4 63 96 A I H X S+ 0 0 4 -4,-3.0 4,-2.3 2,-0.2 5,-0.2 0.982 112.7 44.4 -61.2 -57.7 18.1 31.1 49.4 64 97 A V H X S+ 0 0 10 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.866 115.2 50.9 -54.9 -38.1 16.7 30.1 46.0 65 98 A E H X S+ 0 0 82 -4,-3.0 4,-2.5 -5,-0.2 -1,-0.2 0.902 107.5 51.1 -68.2 -42.8 13.2 30.7 47.4 66 99 A L H X S+ 0 0 37 -4,-2.7 4,-2.2 -5,-0.2 -2,-0.2 0.922 114.4 44.7 -60.1 -43.8 14.0 34.2 48.7 67 100 A M H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.916 109.7 54.4 -67.2 -45.6 15.4 35.1 45.3 68 101 A R H X S+ 0 0 86 -4,-2.5 4,-0.8 -5,-0.2 -2,-0.2 0.952 113.0 44.1 -54.0 -48.9 12.5 33.5 43.4 69 102 A D H >< S+ 0 0 93 -4,-2.5 3,-0.5 1,-0.2 4,-0.2 0.888 111.2 51.5 -64.7 -41.5 10.1 35.6 45.4 70 103 A V H >< S+ 0 0 2 -4,-2.2 3,-1.1 1,-0.3 -1,-0.2 0.869 108.6 52.6 -63.7 -36.1 12.0 38.9 45.2 71 104 A S H 3< S+ 0 0 6 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.718 105.7 55.8 -71.9 -19.3 12.2 38.5 41.4 72 105 A K T << S+ 0 0 151 -4,-0.8 -1,-0.2 -3,-0.5 -2,-0.2 0.422 90.3 100.4 -92.1 0.2 8.4 38.0 41.4 73 106 A E S < S- 0 0 53 -3,-1.1 2,-0.8 -4,-0.2 44,-0.2 -0.199 85.7-100.4 -76.3 174.9 7.9 41.3 43.1 74 107 A D + 0 0 108 1,-0.1 3,-0.4 42,-0.1 -2,-0.1 -0.851 41.3 168.4-104.4 103.1 7.0 44.5 41.3 75 108 A H > + 0 0 0 -2,-0.8 3,-3.2 1,-0.2 -1,-0.1 0.352 40.6 117.3 -94.4 7.1 10.0 46.7 40.8 76 109 A S T 3 S+ 0 0 62 1,-0.3 -1,-0.2 3,-0.0 -2,-0.0 0.802 81.5 40.6 -42.3 -42.0 8.2 49.0 38.4 77 110 A K T 3 S+ 0 0 128 -3,-0.4 -67,-2.0 -69,-0.1 2,-0.3 0.351 102.1 91.2 -92.9 6.4 8.7 52.0 40.7 78 111 A R E < -b 10 0B 22 -3,-3.2 -67,-0.2 39,-0.2 -66,-0.2 -0.765 61.7-153.4-103.0 148.3 12.3 51.0 41.7 79 112 A S E S- 0 0 1 -69,-1.9 2,-0.3 -2,-0.3 -67,-0.2 0.684 70.1 -10.4 -93.7 -17.6 15.4 52.2 39.9 80 113 A S E -b 12 0B 1 -69,-1.4 -67,-0.6 -70,-0.2 2,-0.3 -0.913 55.3-124.8-161.9-173.3 17.7 49.3 40.7 81 114 A F E -bd 13 123B 0 41,-1.8 43,-2.6 -2,-0.3 2,-0.4 -0.948 16.2-172.2-153.5 128.0 18.5 46.1 42.6 82 115 A V E -bd 14 124B 0 -69,-1.7 -67,-1.8 -2,-0.3 2,-0.4 -0.947 0.5-174.2-123.2 140.4 21.3 45.1 44.8 83 116 A C E -bd 15 125B 0 41,-2.6 43,-2.1 -2,-0.4 2,-0.5 -0.982 6.0-162.8-138.1 124.4 22.1 41.7 46.3 84 117 A V E -bd 16 126B 0 -69,-3.3 -67,-2.7 -2,-0.4 2,-0.5 -0.925 2.5-167.0-110.4 126.8 24.9 41.0 48.8 85 118 A L E +bd 17 127B 2 41,-2.6 43,-3.1 -2,-0.5 2,-0.6 -0.956 6.4 179.9-116.9 117.4 26.0 37.4 49.4 86 119 A L E +bd 18 128B 1 -69,-2.4 -67,-2.2 -2,-0.5 2,-0.3 -0.926 39.5 81.8-119.4 106.6 28.3 36.8 52.4 87 120 A S S S- 0 0 3 41,-2.2 43,-0.3 -2,-0.6 9,-0.1 -0.973 78.6 -54.2-176.6-174.6 29.3 33.2 52.9 88 121 A H + 0 0 20 -2,-0.3 7,-2.3 7,-0.3 2,-0.3 -0.358 61.9 156.0 -73.7 167.0 31.6 30.3 51.9 89 122 A G E -M 94 0C 9 385,-1.4 43,-0.5 5,-0.2 2,-0.2 -0.973 33.7-141.2 178.2 166.1 31.9 29.5 48.2 90 123 A E E > -M 93 0C 103 3,-1.7 3,-2.2 -2,-0.3 2,-0.5 -0.637 64.1 -44.0-126.7-174.6 33.7 28.0 45.3 91 124 A E T 3 S- 0 0 86 1,-0.3 40,-0.1 -2,-0.2 3,-0.1 -0.403 129.6 -11.0 -60.7 110.9 34.0 29.1 41.7 92 125 A G T 3 S+ 0 0 25 -2,-0.5 11,-1.7 1,-0.2 12,-0.5 0.738 117.5 106.7 71.2 23.6 30.5 30.2 40.6 93 126 A I E < -MN 90 102C 38 -3,-2.2 -3,-1.7 9,-0.3 2,-0.4 -0.967 51.5-161.3-140.6 122.6 29.0 28.7 43.7 94 127 A I E -MN 89 101C 5 7,-2.7 7,-2.1 -2,-0.4 2,-0.5 -0.826 24.2-128.7 -99.8 140.0 27.5 30.3 46.8 95 128 A F E - N 0 100C 23 -7,-2.3 -7,-0.3 -2,-0.4 2,-0.2 -0.764 15.2-159.7 -96.5 128.1 27.2 28.2 50.0 96 129 A G - 0 0 0 3,-3.1 -37,-0.3 -2,-0.5 -36,-0.1 -0.586 43.0 -94.7 -92.3 163.6 24.0 27.9 52.0 97 130 A T S S+ 0 0 19 -39,-3.0 -74,-2.9 1,-0.2 -38,-0.2 0.730 124.7 25.5 -50.0 -26.8 24.1 26.7 55.6 98 131 A N S S- 0 0 60 1,-0.3 -1,-0.2 -40,-0.2 -39,-0.1 0.660 130.5 -7.4-112.7 -25.6 23.4 23.2 54.5 99 132 A G - 0 0 4 -5,-0.0 -3,-3.1 2,-0.0 -1,-0.3 -0.996 69.8 -85.1-165.6 169.2 24.7 23.0 50.9 100 133 A P E -N 95 0C 49 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.395 31.6-171.9 -82.0 156.8 26.1 24.7 47.8 101 134 A V E -N 94 0C 5 -7,-2.1 -7,-2.7 -2,-0.1 2,-0.1 -0.977 29.8-105.8-150.8 134.0 24.1 26.5 45.1 102 135 A D E > -N 93 0C 89 -2,-0.3 4,-1.0 -9,-0.2 -9,-0.3 -0.349 17.2-140.4 -62.7 134.3 25.2 27.9 41.7 103 136 A L H > S+ 0 0 16 -11,-1.7 4,-2.5 1,-0.2 5,-0.2 0.807 103.0 63.7 -63.4 -27.5 25.3 31.7 41.5 104 137 A K H > S+ 0 0 75 -12,-0.5 4,-2.7 1,-0.2 -1,-0.2 0.937 95.4 55.8 -62.1 -48.2 23.9 31.3 38.1 105 138 A K H 4 S+ 0 0 102 -3,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.847 112.1 44.6 -53.7 -36.4 20.6 29.8 39.4 106 139 A I H >< S+ 0 0 0 -4,-1.0 3,-1.5 1,-0.2 4,-0.4 0.963 114.0 46.3 -72.1 -55.6 20.2 32.9 41.6 107 140 A T H >< S+ 0 0 4 -4,-2.5 3,-1.4 1,-0.3 -2,-0.2 0.796 100.2 70.1 -58.9 -31.3 21.1 35.5 39.0 108 141 A N G >< S+ 0 0 31 -4,-2.7 3,-1.1 1,-0.3 -1,-0.3 0.746 87.5 65.0 -60.9 -23.6 18.9 33.8 36.4 109 142 A F G < S+ 0 0 32 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.811 102.9 48.5 -69.0 -28.0 15.7 34.9 38.3 110 143 A F G < S+ 0 0 0 -3,-1.4 -1,-0.2 -4,-0.4 -2,-0.2 0.252 82.6 131.3 -97.0 12.2 16.6 38.5 37.5 111 144 A R S X> S- 0 0 34 -3,-1.1 4,-1.1 -4,-0.1 3,-0.9 -0.220 75.5 -99.7 -63.6 156.0 17.2 38.2 33.8 112 145 A G T 34 S+ 0 0 5 35,-1.2 7,-0.2 1,-0.3 -1,-0.1 0.707 122.0 38.6 -48.9 -27.0 15.6 40.6 31.4 113 146 A D T 34 S+ 0 0 63 34,-0.2 3,-0.3 1,-0.1 -1,-0.3 0.643 113.0 52.2-101.4 -19.1 12.9 38.1 30.5 114 147 A R T <4 S+ 0 0 135 -3,-0.9 -2,-0.2 1,-0.3 2,-0.2 0.439 121.1 31.9 -95.7 0.3 12.2 36.5 33.9 115 148 A C >< + 0 0 5 -4,-1.1 3,-0.9 -5,-0.1 4,-0.4 -0.658 63.2 177.0-157.9 89.1 11.7 39.9 35.6 116 149 A R G > S+ 0 0 139 -3,-0.3 3,-0.7 1,-0.2 -1,-0.1 0.786 77.2 66.2 -68.5 -29.8 10.2 42.5 33.3 117 150 A S G 3 S+ 0 0 25 1,-0.2 -1,-0.2 -44,-0.2 -39,-0.2 0.669 107.0 41.3 -68.9 -15.7 10.1 45.2 36.1 118 151 A L G X S+ 0 0 0 -3,-0.9 3,-2.5 -7,-0.2 -1,-0.2 0.476 81.6 129.5-107.9 -4.0 13.9 45.3 36.3 119 152 A T T < S+ 0 0 24 -3,-0.7 31,-0.1 -4,-0.4 -8,-0.1 -0.273 81.9 13.1 -54.6 124.3 14.6 45.1 32.5 120 153 A G T 3 S+ 0 0 30 1,-0.3 -1,-0.3 29,-0.2 30,-0.1 0.578 107.2 112.4 84.2 8.6 17.0 47.9 31.6 121 154 A K S < S- 0 0 18 -3,-2.5 -1,-0.3 -117,-0.1 -41,-0.1 -0.930 77.1 -97.6-119.1 139.8 17.8 48.5 35.2 122 155 A P - 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