==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 15-DEC-08 3FJU . COMPND 2 MOLECULE: CARBOXYPEPTIDASE A1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.SANGLAS,F.X.AVILES,R.HUBER,F.X.GOMIS-RUTH,J.L.AROLAS . 372 2 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15203.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 249 66.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 8.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 26 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 107 28.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.3 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 1 0 0 1 0 2 0 1 0 1 1 0 0 1 0 1 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 1 1 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 PARALLEL BRIDGES PER LADDER . 3 0 4 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 ANTIPARALLEL BRIDGES PER LADDER . 0 2 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 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 2 A R 0 0 264 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 126.8 15.8 47.4 42.4 2 3 A S >> - 0 0 33 25,-0.0 3,-1.3 22,-0.0 4,-1.1 -0.859 360.0 -92.1-140.9 175.2 15.8 46.5 46.1 3 4 A T T 34 S+ 0 0 0 -2,-0.3 21,-0.0 1,-0.2 17,-0.0 0.650 126.2 60.6 -70.1 -10.4 18.2 44.8 48.6 4 5 A D T 34 S+ 0 0 125 1,-0.1 -1,-0.2 3,-0.0 79,-0.0 0.663 105.4 45.7 -82.2 -17.2 16.2 41.7 47.7 5 6 A T T <4 S+ 0 0 95 -3,-1.3 -2,-0.2 2,-0.1 -1,-0.1 0.603 88.7 109.7 -97.8 -16.9 17.2 41.9 44.0 6 7 A F S < S- 0 0 34 -4,-1.1 2,-0.9 1,-0.1 3,-0.1 -0.334 73.4-126.1 -58.7 137.4 20.8 42.7 44.8 7 8 A N > - 0 0 81 1,-0.2 3,-0.9 2,-0.0 -1,-0.1 -0.797 27.3-179.9 -93.6 103.1 23.1 39.8 43.9 8 9 A Y T 3 S+ 0 0 32 -2,-0.9 -1,-0.2 1,-0.2 72,-0.1 0.572 74.9 68.9 -76.0 -12.0 25.1 38.9 47.1 9 10 A A T 3 S+ 0 0 37 276,-0.1 2,-0.3 -3,-0.1 -1,-0.2 0.159 94.9 60.6 -97.7 18.7 27.0 36.2 45.2 10 11 A T S < S- 0 0 50 -3,-0.9 2,-0.3 66,-0.1 -3,-0.0 -0.954 85.6-101.6-139.8 161.5 29.0 38.5 42.9 11 12 A Y - 0 0 56 -2,-0.3 2,-0.2 1,-0.0 -2,-0.1 -0.609 40.1-156.9 -84.7 143.5 31.5 41.3 43.3 12 13 A H - 0 0 30 -2,-0.3 2,-0.1 -4,-0.1 64,-0.1 -0.703 14.1-111.8-121.9 165.7 30.4 44.9 42.9 13 14 A T > - 0 0 50 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.419 38.5-104.7 -84.6 167.4 31.7 48.4 42.1 14 15 A L H > S+ 0 0 23 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.932 122.8 51.3 -55.7 -50.3 31.9 51.3 44.5 15 16 A E H > S+ 0 0 121 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.879 109.8 50.1 -58.0 -39.7 28.8 52.9 43.0 16 17 A E H > S+ 0 0 77 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.900 110.9 48.1 -66.0 -41.6 26.9 49.6 43.3 17 18 A I H X S+ 0 0 5 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.927 110.5 51.3 -64.6 -42.9 27.9 49.2 47.0 18 19 A Y H X S+ 0 0 28 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.883 108.0 53.1 -62.8 -35.8 26.9 52.8 47.7 19 20 A D H X S+ 0 0 74 -4,-2.0 4,-2.5 -5,-0.2 -1,-0.2 0.909 106.6 53.3 -59.7 -41.6 23.5 52.2 46.0 20 21 A F H X S+ 0 0 1 -4,-1.9 4,-2.8 1,-0.2 -2,-0.2 0.893 105.3 54.3 -62.1 -41.2 23.1 49.2 48.3 21 22 A L H X S+ 0 0 5 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.928 111.0 45.5 -56.2 -48.7 23.7 51.4 51.4 22 23 A D H X S+ 0 0 75 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.900 112.7 49.4 -65.3 -41.5 21.0 53.8 50.3 23 24 A L H X S+ 0 0 54 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.920 110.5 50.9 -65.0 -41.9 18.5 51.0 49.5 24 25 A L H X S+ 0 0 0 -4,-2.8 4,-1.2 2,-0.2 -1,-0.2 0.922 112.6 45.9 -61.6 -42.9 19.1 49.3 52.9 25 26 A V H >< S+ 0 0 36 -4,-2.0 3,-0.6 -5,-0.2 7,-0.2 0.936 113.1 49.9 -63.0 -46.1 18.5 52.6 54.7 26 27 A A H 3< S+ 0 0 74 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.833 113.9 45.5 -65.5 -32.0 15.4 53.4 52.7 27 28 A E H 3< S+ 0 0 75 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.683 126.1 29.8 -80.1 -22.9 14.0 49.9 53.4 28 29 A N S XX S+ 0 0 39 -4,-1.2 4,-3.0 -3,-0.6 3,-1.7 -0.441 70.3 158.7-135.1 57.2 14.8 50.0 57.1 29 30 A P T 34 S+ 0 0 75 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.679 75.2 47.2 -68.8 -16.9 14.6 53.7 58.1 30 31 A H T 34 S+ 0 0 179 1,-0.1 3,-0.1 3,-0.0 -5,-0.1 0.390 122.0 34.1-102.1 -1.8 14.1 53.1 61.9 31 32 A L T <4 S+ 0 0 24 -3,-1.7 21,-2.2 1,-0.3 2,-0.4 0.659 116.4 47.5-114.6 -37.0 16.9 50.5 62.2 32 33 A V E < +A 51 0A 3 -4,-3.0 2,-0.3 -7,-0.2 -1,-0.3 -0.895 55.0 172.6-119.2 135.3 19.6 51.7 59.7 33 34 A S E -A 50 0A 49 17,-2.0 17,-2.5 -2,-0.4 2,-0.5 -0.962 26.2-129.8-133.9 160.6 21.2 55.0 59.0 34 35 A K E -A 49 0A 64 -2,-0.3 2,-0.5 15,-0.2 15,-0.2 -0.946 21.4-168.4-113.0 121.7 24.1 56.2 56.9 35 36 A I E -A 48 0A 50 13,-3.1 13,-2.9 -2,-0.5 2,-0.7 -0.941 14.6-145.6-111.6 124.9 26.8 58.4 58.5 36 37 A Q E +A 47 0A 96 -2,-0.5 11,-0.2 11,-0.2 3,-0.1 -0.811 18.3 178.6 -86.6 117.0 29.4 60.2 56.4 37 38 A I E - 0 0 29 9,-2.2 2,-0.3 -2,-0.7 -1,-0.1 0.517 57.7 -50.3 -96.1 -6.8 32.6 60.2 58.5 38 39 A G E -A 46 0A 16 8,-0.9 8,-2.3 5,-0.0 2,-0.4 -0.991 55.7 -83.2 168.4-171.1 34.8 62.0 56.0 39 40 A N E -A 45 0A 73 -2,-0.3 138,-0.1 6,-0.2 5,-0.1 -0.987 40.5-119.0-128.5 146.9 36.0 62.3 52.4 40 41 A T > - 0 0 7 4,-2.6 3,-1.7 -2,-0.4 6,-0.1 -0.071 38.8 -90.0 -74.3 177.3 38.9 60.3 51.0 41 42 A Y T 3 S+ 0 0 113 1,-0.3 -1,-0.1 2,-0.1 90,-0.1 0.884 131.9 44.1 -53.1 -43.1 42.1 61.7 49.5 42 43 A E T 3 S- 0 0 93 2,-0.0 -1,-0.3 88,-0.0 -2,-0.0 0.309 126.4-100.7 -91.4 5.6 40.5 61.9 46.1 43 44 A G S < S+ 0 0 43 -3,-1.7 -2,-0.1 1,-0.3 -5,-0.0 0.493 70.4 146.0 99.6 4.8 37.3 63.3 47.6 44 45 A R - 0 0 74 1,-0.1 -4,-2.6 -5,-0.1 -1,-0.3 -0.513 54.6-104.2 -75.4 144.6 34.9 60.3 47.7 45 46 A P E -A 39 0A 37 0, 0.0 2,-0.5 0, 0.0 -6,-0.2 -0.352 26.5-144.2 -63.8 145.0 32.5 60.1 50.6 46 47 A I E -A 38 0A 0 -8,-2.3 -9,-2.2 -6,-0.1 -8,-0.9 -0.979 22.5-164.1-112.0 122.5 33.3 57.6 53.4 47 48 A Y E -A 36 0A 39 -2,-0.5 2,-0.4 62,-0.3 61,-0.4 -0.894 16.7-171.6-120.6 136.0 30.2 56.0 54.8 48 49 A V E -A 35 0A 0 -13,-2.9 -13,-3.1 -2,-0.4 2,-0.4 -0.971 19.8-138.3-118.5 133.8 29.4 54.0 58.0 49 50 A L E -AB 34 106A 2 57,-3.0 57,-2.6 -2,-0.4 2,-0.5 -0.799 13.4-154.4 -88.5 134.6 26.1 52.2 58.6 50 51 A K E -AB 33 105A 61 -17,-2.5 -17,-2.0 -2,-0.4 2,-0.5 -0.948 5.9-167.2-108.0 128.0 24.6 52.4 62.0 51 52 A F E +AB 32 104A 0 53,-3.1 53,-2.3 -2,-0.5 2,-0.3 -0.974 26.3 152.5-112.1 119.7 22.3 49.7 63.2 52 53 A S - 0 0 16 -21,-2.2 51,-0.1 -2,-0.5 3,-0.1 -0.993 43.9-160.2-152.7 139.2 20.4 50.7 66.3 53 54 A T S S- 0 0 45 46,-0.7 2,-0.3 -2,-0.3 47,-0.1 0.347 71.6 -79.3 -99.2 3.7 17.1 50.0 68.1 54 55 A G S S+ 0 0 28 -23,-0.1 -1,-0.3 1,-0.1 4,-0.3 -0.947 75.7 105.9 142.8-158.4 17.4 53.2 70.1 55 56 A G - 0 0 60 -2,-0.3 2,-0.4 -3,-0.1 -1,-0.1 0.018 66.2 -79.3 76.1 179.3 19.1 54.8 73.1 56 57 A S S S- 0 0 108 1,-0.1 -1,-0.1 0, 0.0 0, 0.0 -0.991 97.7 -18.9-124.6 124.2 21.9 57.4 73.3 57 58 A K S S- 0 0 123 -2,-0.4 -1,-0.1 1,-0.1 3,-0.1 0.858 84.2-174.6 47.1 46.0 25.5 56.4 72.9 58 59 A R - 0 0 62 -4,-0.3 129,-0.1 1,-0.1 -1,-0.1 -0.260 39.1 -82.1 -60.2 154.1 24.8 52.7 73.6 59 60 A P - 0 0 40 0, 0.0 44,-2.0 0, 0.0 2,-0.3 -0.315 64.7-159.5 -54.1 145.4 27.7 50.3 73.9 60 61 A A E -cd 103 188A 0 127,-1.6 129,-3.1 42,-0.2 130,-1.5 -0.925 27.8-138.8-142.8 154.2 28.6 49.4 70.4 61 62 A I E -cd 104 190A 0 42,-2.6 44,-3.1 -2,-0.3 2,-0.4 -0.952 21.4-158.4-107.2 128.7 30.3 47.0 68.1 62 63 A W E +cd 105 191A 0 128,-2.7 130,-2.9 -2,-0.5 2,-0.4 -0.942 11.1 179.9-105.0 135.4 32.4 48.4 65.2 63 64 A I E -cd 106 192A 1 42,-2.7 44,-2.5 -2,-0.4 2,-0.4 -1.000 2.9-173.9-130.1 130.5 33.1 46.3 62.1 64 65 A D E -cd 107 193A 0 128,-2.4 130,-3.2 -2,-0.4 2,-0.3 -0.965 2.2-176.3-122.0 143.9 35.2 47.5 59.1 65 66 A T E + d 0 194A 0 42,-2.7 45,-1.7 -2,-0.4 46,-0.1 -0.897 61.4 30.3-124.4 159.4 35.9 45.8 55.8 66 67 A G + 0 0 0 128,-0.6 45,-0.8 -2,-0.3 49,-0.1 0.682 57.5 140.6 71.5 20.3 38.0 46.8 52.8 67 68 A I S S+ 0 0 4 127,-0.5 2,-0.6 43,-0.2 47,-0.1 0.907 79.8 49.2 -59.5 -35.9 40.7 48.8 54.6 68 69 A H S > S- 0 0 0 1,-0.1 3,-1.7 3,-0.1 -1,-0.2 -0.927 90.5-147.3-102.6 116.0 43.0 47.1 52.0 69 70 A S T 3 S+ 0 0 0 57,-1.1 57,-0.2 -2,-0.6 -1,-0.1 0.811 88.4 57.2 -61.6 -38.0 41.3 47.6 48.7 70 71 A R T 3 S+ 0 0 0 55,-1.1 2,-1.9 1,-0.2 -1,-0.3 0.563 80.1 92.6 -67.6 -9.0 42.3 44.3 46.9 71 72 A E X> + 0 0 0 -3,-1.7 3,-2.5 1,-0.2 4,-0.6 -0.355 53.6 167.1 -87.8 60.3 40.8 42.1 49.6 72 73 A W H 3> + 0 0 32 -2,-1.9 4,-2.1 206,-0.3 -1,-0.2 0.677 62.8 65.0 -55.0 -31.0 37.4 42.0 47.7 73 74 A V H 3> S+ 0 0 1 205,-0.3 4,-2.1 1,-0.2 -1,-0.3 0.777 98.0 59.5 -66.0 -21.5 35.8 39.2 49.7 74 75 A T H <> S+ 0 0 0 -3,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.950 107.4 41.7 -72.2 -49.0 35.8 41.5 52.7 75 76 A Q H X S+ 0 0 1 -4,-0.6 4,-2.1 1,-0.2 -2,-0.2 0.925 115.8 51.7 -61.9 -41.8 33.7 44.3 51.1 76 77 A A H X S+ 0 0 16 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.882 111.2 47.5 -62.0 -38.6 31.5 41.6 49.6 77 78 A S H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 -1,-0.2 0.890 107.3 56.6 -68.7 -38.5 31.1 40.0 53.1 78 79 A G H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.886 105.6 50.7 -59.2 -41.5 30.3 43.4 54.6 79 80 A V H X S+ 0 0 3 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.930 111.5 48.9 -59.0 -45.2 27.4 43.9 52.2 80 81 A W H X S+ 0 0 29 -4,-1.6 4,-2.7 1,-0.2 -2,-0.2 0.914 108.6 52.1 -64.5 -42.0 26.1 40.5 53.2 81 82 A F H X S+ 0 0 0 -4,-2.9 4,-2.3 2,-0.2 -1,-0.2 0.897 107.9 53.6 -58.5 -40.8 26.5 41.3 57.0 82 83 A A H X S+ 0 0 0 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.942 112.0 42.7 -61.9 -48.0 24.5 44.5 56.5 83 84 A K H X S+ 0 0 18 -4,-2.0 4,-1.9 1,-0.2 3,-0.2 0.930 111.7 57.4 -62.1 -41.2 21.6 42.6 54.8 84 85 A K H X S+ 0 0 42 -4,-2.7 4,-2.4 1,-0.2 5,-0.2 0.864 102.2 53.2 -58.0 -41.4 21.9 39.9 57.5 85 86 A I H X S+ 0 0 1 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.910 111.1 46.4 -61.9 -41.1 21.4 42.3 60.4 86 87 A T H < S+ 0 0 19 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.796 113.2 50.5 -75.3 -26.6 18.2 43.6 58.8 87 88 A Q H < S+ 0 0 96 -4,-1.9 -2,-0.2 -5,-0.1 -1,-0.2 0.889 117.7 36.5 -73.3 -40.6 17.0 40.0 58.1 88 89 A D H >X S+ 0 0 27 -4,-2.4 4,-2.6 -5,-0.2 3,-2.1 0.740 86.2 102.0 -91.9 -26.5 17.6 38.7 61.6 89 90 A Y T 3< S+ 0 0 68 -4,-2.2 4,-0.1 1,-0.3 7,-0.0 -0.435 100.1 9.7 -63.4 125.2 16.6 41.6 63.8 90 91 A G T 34 S+ 0 0 48 2,-0.4 -1,-0.3 -2,-0.2 3,-0.1 0.242 129.6 61.1 91.6 -11.6 13.1 40.8 65.2 91 92 A Q T <4 S+ 0 0 158 -3,-2.1 2,-0.6 1,-0.3 -2,-0.2 0.767 94.5 53.2-113.6 -50.8 13.2 37.3 63.8 92 93 A D S X S- 0 0 71 -4,-2.6 4,-2.7 1,-0.1 -2,-0.4 -0.842 72.6-150.2 -91.7 119.9 16.2 35.5 65.4 93 94 A A H > S+ 0 0 84 -2,-0.6 4,-2.5 1,-0.2 5,-0.2 0.887 91.4 49.8 -55.3 -47.5 15.9 35.8 69.2 94 95 A A H > S+ 0 0 46 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.919 115.7 42.1 -64.5 -43.7 19.6 35.7 70.1 95 96 A F H > S+ 0 0 2 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.889 110.9 57.0 -71.7 -38.9 20.5 38.4 67.5 96 97 A T H X S+ 0 0 22 -4,-2.7 4,-1.4 -8,-0.3 -2,-0.2 0.918 105.9 51.3 -53.7 -44.7 17.5 40.4 68.5 97 98 A A H X S+ 0 0 47 -4,-2.5 4,-0.5 2,-0.2 -1,-0.2 0.854 108.1 53.4 -60.1 -37.7 18.8 40.4 72.1 98 99 A I H >X S+ 0 0 0 -4,-1.5 4,-2.8 1,-0.2 3,-1.5 0.978 112.2 41.5 -61.2 -53.9 22.2 41.6 70.8 99 100 A L H 3< S+ 0 0 0 -4,-2.5 -46,-0.7 1,-0.3 -1,-0.2 0.640 104.0 67.7 -74.8 -13.9 20.8 44.6 69.0 100 101 A D H 3< S+ 0 0 72 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.656 118.8 21.4 -75.5 -15.9 18.4 45.4 71.8 101 102 A T H << S+ 0 0 73 -3,-1.5 2,-0.3 -4,-0.5 -2,-0.2 0.660 124.1 50.2-115.5 -33.8 21.4 46.4 74.0 102 103 A L < - 0 0 5 -4,-2.8 2,-0.3 -5,-0.2 -42,-0.2 -0.802 64.9-142.0-113.6 145.9 24.2 47.1 71.5 103 104 A D E - c 0 60A 1 -44,-2.0 -42,-2.6 -2,-0.3 2,-0.4 -0.728 18.2-145.6 -90.5 152.2 24.5 49.3 68.4 104 105 A I E -Bc 51 61A 0 -53,-2.3 -53,-3.1 -2,-0.3 2,-0.4 -0.992 8.5-164.6-120.2 132.1 26.5 48.0 65.4 105 106 A F E -Bc 50 62A 4 -44,-3.1 -42,-2.7 -2,-0.4 2,-0.4 -0.957 9.8-171.7-111.6 133.2 28.6 50.3 63.2 106 107 A L E -Bc 49 63A 1 -57,-2.6 -57,-3.0 -2,-0.4 2,-0.7 -0.976 13.6-169.4-133.4 116.1 29.7 48.8 59.9 107 108 A E E + c 0 64A 0 -44,-2.5 -42,-2.7 -2,-0.4 3,-0.3 -0.906 10.0 178.8-106.0 105.0 32.1 50.5 57.4 108 109 A I S S+ 0 0 3 -2,-0.7 2,-0.7 -61,-0.4 -30,-0.2 0.903 75.1 33.3 -78.6 -43.9 31.9 48.4 54.2 109 110 A V + 0 0 4 -62,-0.4 -62,-0.3 1,-0.1 -1,-0.3 -0.816 65.9 168.5-115.9 90.9 34.3 50.2 52.0 110 111 A T S S+ 0 0 2 -45,-1.7 -43,-0.2 -2,-0.7 -44,-0.2 0.725 78.3 35.0 -79.5 -21.0 37.0 51.5 54.3 111 112 A N > + 0 0 1 -45,-0.8 4,-2.2 -46,-0.1 -1,-0.3 -0.691 68.0 169.0-130.7 78.7 39.4 52.6 51.5 112 113 A P H > S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.843 74.9 53.9 -65.5 -35.5 37.2 53.8 48.6 113 114 A D H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.935 111.9 44.9 -64.4 -45.5 40.0 55.3 46.5 114 115 A G H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.908 112.0 53.6 -60.5 -40.3 41.9 52.0 46.6 115 116 A F H X S+ 0 0 5 -4,-2.2 4,-1.2 1,-0.2 -2,-0.2 0.942 108.8 47.6 -64.0 -46.7 38.7 50.1 45.8 116 117 A A H X S+ 0 0 19 -4,-2.6 4,-2.6 1,-0.2 3,-0.4 0.897 111.7 52.2 -55.9 -41.6 38.0 52.3 42.8 117 118 A F H X>S+ 0 0 32 -4,-2.1 5,-2.9 1,-0.2 4,-2.4 0.806 101.0 59.9 -68.8 -31.7 41.6 51.8 41.6 118 119 A T H <5S+ 0 0 4 -4,-2.0 -1,-0.2 -3,-0.2 -2,-0.2 0.827 114.2 37.5 -66.7 -31.3 41.3 48.0 42.0 119 120 A H H <5S+ 0 0 71 -4,-1.2 -2,-0.2 -3,-0.4 -1,-0.2 0.881 125.3 37.5 -78.8 -44.4 38.5 48.1 39.4 120 121 A S H <5S- 0 0 87 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.826 135.3 -8.1 -79.2 -34.8 39.9 50.8 37.1 121 122 A T T <5S+ 0 0 95 -4,-2.4 2,-0.3 -5,-0.2 -3,-0.2 0.667 123.8 24.2-139.1 -43.8 43.6 50.3 37.0 122 123 A N > < - 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