==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 27-JUL-98 1CPX . COMPND 2 MOLECULE: PROTEIN (CARBOXYPEPTIDASE A); . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR J.T.BUKRINSKY,M.J.BJERRUM,A.KADZIOLA . 305 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11953.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 211 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 9.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 5.6 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 . 1 0.3 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 . 20 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 94 30.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 2 0 1 0 0 0 1 1 0 0 1 0 2 0 0 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 . 0 0 2 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 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 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 3 A S >> 0 0 64 0, 0.0 3,-1.0 0, 0.0 4,-0.9 0.000 360.0 360.0 360.0 164.5 21.4 39.1 20.3 2 4 A T T 34 + 0 0 0 1,-0.3 21,-0.1 2,-0.2 80,-0.0 0.629 360.0 67.8 -74.0 -11.0 19.7 39.3 23.7 3 5 A N T 34 S+ 0 0 119 1,-0.2 -1,-0.3 3,-0.1 79,-0.0 0.758 105.9 36.5 -78.3 -27.2 21.3 42.7 23.9 4 6 A T T <4 S+ 0 0 117 -3,-1.0 -2,-0.2 2,-0.1 -1,-0.2 0.561 89.3 114.0-100.6 -10.8 19.1 44.1 21.1 5 7 A F S < S- 0 0 32 -4,-0.9 2,-1.0 1,-0.1 -3,-0.0 -0.387 73.1-121.1 -61.0 135.0 16.0 42.2 22.0 6 8 A N > + 0 0 89 1,-0.2 3,-0.6 -2,-0.1 -1,-0.1 -0.691 31.6 178.1 -87.4 104.2 13.3 44.6 23.2 7 9 A Y T 3 S+ 0 0 37 -2,-1.0 -1,-0.2 1,-0.2 72,-0.1 0.540 71.2 73.7 -77.2 -8.8 12.2 43.7 26.7 8 10 A A T 3 S+ 0 0 41 276,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.042 93.5 53.0 -97.2 28.1 9.8 46.6 26.9 9 11 A T S < S- 0 0 58 -3,-0.6 2,-0.3 66,-0.1 0, 0.0 -0.952 88.7 -97.1-152.9 160.3 7.1 45.2 24.6 10 12 A Y - 0 0 47 -2,-0.3 2,-0.2 1,-0.0 -2,-0.1 -0.640 39.9-153.0 -84.4 147.3 5.1 41.9 24.4 11 13 A H - 0 0 30 -2,-0.3 2,-0.1 60,-0.2 64,-0.0 -0.729 11.9-112.7-122.0 165.6 6.2 39.1 22.1 12 14 A T > - 0 0 56 -2,-0.2 4,-2.0 1,-0.1 5,-0.2 -0.377 39.9 -99.7 -85.5 172.9 4.8 36.2 20.2 13 15 A L H > S+ 0 0 12 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.918 122.9 48.0 -60.2 -46.2 5.4 32.6 20.9 14 16 A D H > S+ 0 0 113 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.842 108.6 54.1 -65.9 -35.3 8.1 32.3 18.2 15 17 A E H > S+ 0 0 85 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.921 111.2 45.7 -64.2 -42.0 9.9 35.4 19.3 16 18 A I H X S+ 0 0 4 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.896 113.0 49.8 -67.7 -40.2 10.2 34.0 22.8 17 19 A Y H X S+ 0 0 24 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.904 112.2 48.0 -66.3 -38.4 11.3 30.6 21.5 18 20 A D H X S+ 0 0 98 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.855 106.9 56.8 -68.6 -35.7 13.9 32.3 19.3 19 21 A F H X S+ 0 0 1 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.880 103.9 54.8 -61.8 -38.2 15.0 34.4 22.3 20 22 A M H X S+ 0 0 2 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.886 107.0 48.7 -62.6 -43.1 15.7 31.1 24.2 21 23 A D H X S+ 0 0 79 -4,-1.4 4,-2.0 1,-0.2 -1,-0.2 0.886 111.9 51.0 -64.9 -37.8 18.0 29.8 21.5 22 24 A L H X S+ 0 0 67 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.895 108.7 49.9 -65.2 -44.9 19.9 33.1 21.5 23 25 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.869 111.0 48.8 -63.6 -40.2 20.4 33.1 25.2 24 26 A V H < S+ 0 0 38 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.901 110.9 51.4 -66.7 -39.0 21.7 29.6 25.2 25 27 A A H < S+ 0 0 79 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.849 115.3 42.5 -67.3 -34.5 24.1 30.4 22.3 26 28 A E H < S+ 0 0 57 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.817 124.8 30.8 -82.4 -33.6 25.4 33.4 24.2 27 29 A H >X + 0 0 36 -4,-2.2 4,-2.6 -5,-0.2 3,-2.1 -0.339 62.6 148.4-125.9 59.2 25.8 32.0 27.7 28 30 A P T 34 S+ 0 0 93 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.749 70.8 68.4 -61.3 -24.1 26.6 28.2 27.3 29 31 A Q T 34 S+ 0 0 122 -3,-0.2 3,-0.1 1,-0.1 -2,-0.1 0.658 119.7 15.5 -71.6 -8.2 28.6 28.4 30.5 30 32 A L T <4 S+ 0 0 8 -3,-2.1 21,-2.4 1,-0.2 2,-0.4 0.687 117.0 52.1-135.7 -34.6 25.3 29.0 32.5 31 33 A V E < +A 50 0A 3 -4,-2.6 2,-0.3 19,-0.2 -1,-0.2 -0.893 45.0 172.9-124.2 143.2 22.2 28.1 30.5 32 34 A S E -A 49 0A 51 17,-1.8 17,-2.8 -2,-0.4 2,-0.5 -0.961 26.9-124.2-140.1 151.8 20.8 25.2 28.6 33 35 A K E -A 48 0A 59 -2,-0.3 2,-0.4 15,-0.2 15,-0.2 -0.914 22.1-169.9-105.4 128.5 17.4 24.4 27.0 34 36 A L E -A 47 0A 49 13,-3.0 13,-2.7 -2,-0.5 2,-0.7 -0.899 17.7-146.5-115.6 137.1 15.4 21.3 27.8 35 37 A Q E +A 46 0A 90 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.924 19.8 177.4 -98.5 110.7 12.3 20.1 26.0 36 38 A I E - 0 0 28 9,-2.0 2,-0.3 -2,-0.7 10,-0.1 0.482 60.2 -43.0 -93.7 -5.8 10.2 18.4 28.8 37 39 A G E -A 45 0A 21 8,-0.9 8,-2.7 5,-0.0 2,-0.3 -0.982 59.8 -90.5 170.5-168.1 7.3 17.5 26.6 38 40 A R E -A 44 0A 132 -2,-0.3 138,-0.1 6,-0.3 -3,-0.0 -0.974 37.0-114.7-134.1 146.5 4.9 18.7 23.9 39 41 A S > - 0 0 7 4,-3.0 3,-1.8 -2,-0.3 6,-0.1 -0.149 42.0 -89.6 -71.9 176.1 1.6 20.5 24.2 40 42 A Y T 3 S+ 0 0 117 1,-0.3 -1,-0.1 2,-0.1 90,-0.1 0.865 131.2 45.3 -53.6 -39.8 -1.8 19.1 23.2 41 43 A E T 3 S- 0 0 100 2,-0.0 -1,-0.3 88,-0.0 -2,-0.0 0.346 126.6 -98.5 -88.7 3.3 -1.3 20.5 19.7 42 44 A G S < S+ 0 0 33 -3,-1.8 -2,-0.1 1,-0.3 3,-0.0 0.613 72.3 145.2 92.4 13.8 2.3 19.3 19.4 43 45 A R - 0 0 75 1,-0.1 -4,-3.0 -5,-0.0 -1,-0.3 -0.627 55.2-106.3 -83.0 141.8 4.2 22.5 20.4 44 46 A P E -A 38 0A 21 0, 0.0 2,-0.6 0, 0.0 -6,-0.3 -0.417 23.4-141.0 -70.8 143.5 7.5 21.9 22.3 45 47 A I E -A 37 0A 0 -8,-2.7 -9,-2.0 -2,-0.1 -8,-0.9 -0.949 25.8-163.1-104.2 117.4 7.4 22.7 26.0 46 48 A Y E -A 35 0A 38 -2,-0.6 62,-0.4 62,-0.3 2,-0.4 -0.882 17.3-172.5-111.5 144.1 10.8 24.3 27.0 47 49 A V E -A 34 0A 0 -13,-2.7 -13,-3.0 -2,-0.4 2,-0.5 -0.980 17.9-142.1-130.1 132.1 12.6 24.9 30.3 48 50 A L E -AB 33 105A 0 57,-2.8 57,-3.0 -2,-0.4 2,-0.5 -0.856 16.3-153.6 -95.8 131.5 15.8 26.9 30.6 49 51 A K E -AB 32 104A 67 -17,-2.8 -17,-1.8 -2,-0.5 2,-0.6 -0.941 5.0-162.3-109.3 124.1 18.2 25.4 33.2 50 52 A F E +AB 31 103A 0 53,-2.9 53,-2.2 -2,-0.5 2,-0.3 -0.951 29.0 146.7-108.0 120.1 20.6 27.7 34.9 51 53 A S - 0 0 21 -21,-2.4 51,-0.1 -2,-0.6 48,-0.1 -0.994 43.5-158.4-154.5 147.3 23.5 25.9 36.5 52 54 A T S S- 0 0 47 46,-0.6 2,-0.3 -2,-0.3 -22,-0.1 0.121 72.1 -69.9-110.8 15.2 27.3 26.3 37.3 53 55 A G S S+ 0 0 35 -23,-0.1 4,-0.3 1,-0.1 -1,-0.2 -0.957 74.6 114.7 137.0-154.3 28.0 22.5 37.6 54 56 A G - 0 0 61 -2,-0.3 2,-0.5 -3,-0.1 -1,-0.1 0.183 61.7 -84.2 75.8 168.5 27.2 19.7 40.0 55 57 A S S S- 0 0 115 1,-0.2 -1,-0.1 0, 0.0 0, 0.0 -0.980 98.9 -27.1-117.1 115.7 25.2 16.5 40.1 56 58 A N S S- 0 0 84 -2,-0.5 -1,-0.2 1,-0.1 3,-0.1 0.869 84.4-167.3 45.5 53.6 21.5 16.8 40.9 57 59 A R - 0 0 64 -4,-0.3 44,-0.1 1,-0.1 129,-0.1 -0.245 34.4 -83.1 -67.2 159.3 22.0 20.1 42.8 58 60 A P - 0 0 29 0, 0.0 44,-2.1 0, 0.0 2,-0.3 -0.358 62.3-150.0 -60.2 145.2 19.1 21.4 45.0 59 61 A A E -cd 102 187A 0 127,-2.7 129,-3.3 42,-0.2 130,-1.2 -0.795 25.6-145.9-130.1 165.0 16.7 23.4 42.7 60 62 A I E -cd 103 189A 0 42,-1.9 44,-3.3 -2,-0.3 2,-0.4 -0.991 19.4-156.1-123.5 126.3 14.3 26.2 42.3 61 63 A W E -cd 104 190A 0 128,-2.1 130,-2.7 -2,-0.4 2,-0.4 -0.887 11.6-178.9-103.4 136.8 11.4 25.8 39.8 62 64 A I E -cd 105 191A 0 42,-2.2 44,-2.9 -2,-0.4 2,-0.4 -0.957 2.2-176.1-137.2 113.8 9.7 28.9 38.3 63 65 A D E -cd 106 192A 0 128,-2.6 130,-3.2 -2,-0.4 2,-0.3 -0.914 1.4-175.0-114.4 144.8 6.8 28.7 36.0 64 66 A L E + d 0 193A 0 42,-2.5 45,-1.8 -2,-0.4 46,-0.2 -0.920 57.9 24.3-132.5 154.7 5.1 31.5 34.2 65 67 A G + 0 0 0 128,-0.6 45,-0.8 -2,-0.3 -1,-0.1 0.758 56.2 146.8 66.7 30.7 2.1 31.8 31.9 66 68 A I S S+ 0 0 2 127,-0.5 2,-0.8 1,-0.2 75,-0.3 0.881 78.6 50.9 -61.6 -36.0 0.1 28.7 33.0 67 69 A H S > S- 0 0 5 1,-0.1 3,-1.7 3,-0.1 -1,-0.2 -0.907 91.3-147.3-100.8 106.7 -3.0 30.9 32.2 68 70 A S T 3 S+ 0 0 0 57,-0.9 57,-0.2 -2,-0.8 6,-0.1 0.747 87.1 60.9 -48.3 -39.2 -2.2 32.2 28.7 69 71 A R T 3 S+ 0 0 41 55,-1.1 2,-2.2 1,-0.2 -1,-0.3 0.635 77.9 92.1 -66.5 -18.4 -3.9 35.7 28.9 70 72 A E X> + 0 0 3 -3,-1.7 3,-2.5 1,-0.2 4,-0.6 -0.322 51.7 166.4 -79.9 61.9 -1.6 36.8 31.8 71 73 A W H 3> + 0 0 34 -2,-2.2 4,-1.8 1,-0.3 -1,-0.2 0.618 63.4 70.0 -49.8 -28.6 0.9 38.3 29.4 72 74 A I H 3> S+ 0 0 2 205,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.817 96.8 56.5 -65.2 -26.0 2.8 40.2 32.1 73 75 A T H <> S+ 0 0 0 -3,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.932 106.2 44.1 -72.7 -47.9 4.0 36.8 33.3 74 76 A Q H X S+ 0 0 2 -4,-0.6 4,-1.8 1,-0.2 -2,-0.2 0.911 115.2 52.2 -62.8 -38.4 5.7 35.5 30.1 75 77 A A H X S+ 0 0 14 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.866 109.0 48.4 -63.1 -41.6 7.2 39.0 29.7 76 78 A T H X S+ 0 0 0 -4,-1.7 4,-2.5 1,-0.2 -1,-0.2 0.871 109.0 55.7 -67.8 -34.7 8.6 39.0 33.2 77 79 A G H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.852 105.5 50.0 -66.0 -38.6 10.0 35.5 32.5 78 80 A V H X S+ 0 0 3 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.949 113.2 46.4 -64.1 -47.5 11.9 36.7 29.4 79 81 A W H X S+ 0 0 33 -4,-1.8 4,-3.1 1,-0.2 -2,-0.2 0.890 109.7 54.6 -62.0 -41.9 13.4 39.6 31.4 80 82 A F H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.923 105.7 53.5 -57.7 -45.2 14.3 37.2 34.3 81 83 A A H X S+ 0 0 0 -4,-2.0 4,-1.1 2,-0.2 -1,-0.2 0.897 112.3 43.3 -58.3 -43.7 16.2 35.0 31.9 82 84 A K H >X S+ 0 0 14 -4,-1.8 4,-1.1 1,-0.2 3,-0.5 0.948 111.6 56.1 -66.2 -44.8 18.3 37.9 30.7 83 85 A K H >X S+ 0 0 41 -4,-3.1 4,-2.4 1,-0.2 3,-0.8 0.877 101.4 55.6 -53.3 -48.9 18.7 39.1 34.3 84 86 A F H 3X S+ 0 0 0 -4,-2.5 4,-1.2 1,-0.3 -1,-0.2 0.872 107.3 50.1 -54.5 -40.7 20.2 35.8 35.5 85 87 A T H << S+ 0 0 14 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.715 114.3 43.9 -73.9 -23.5 22.9 35.9 32.9 86 88 A E H << S+ 0 0 96 -4,-1.1 -2,-0.2 -3,-0.8 -1,-0.2 0.752 113.8 48.2 -87.1 -37.6 23.9 39.5 33.8 87 89 A D H >X S+ 0 0 23 -4,-2.4 4,-2.2 -5,-0.2 3,-2.2 0.650 81.6 104.7 -78.1 -20.3 23.8 39.2 37.6 88 90 A Y T 3< S+ 0 0 70 -4,-1.2 7,-0.0 1,-0.3 -58,-0.0 -0.504 96.8 11.0 -68.2 124.4 25.9 36.1 37.9 89 91 A G T 34 S+ 0 0 46 2,-0.4 -1,-0.3 -2,-0.3 -2,-0.1 0.421 129.1 63.3 87.4 2.5 29.3 37.1 39.1 90 92 A Q T <4 S+ 0 0 146 -3,-2.2 -2,-0.2 1,-0.3 -3,-0.1 0.722 90.2 54.5-119.0 -64.3 28.0 40.6 39.8 91 93 A D S X S- 0 0 45 -4,-2.2 4,-2.4 1,-0.2 -2,-0.4 -0.687 74.6-150.0 -78.0 113.6 25.3 40.4 42.5 92 94 A P H > S+ 0 0 109 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.863 92.4 50.0 -55.8 -33.3 27.1 38.7 45.3 93 95 A S H > S+ 0 0 28 2,-0.2 4,-1.5 1,-0.2 -2,-0.0 0.931 112.1 43.5 -72.6 -47.0 23.8 37.2 46.6 94 96 A F H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.845 110.5 58.9 -65.8 -32.5 22.5 35.8 43.3 95 97 A T H X S+ 0 0 24 -4,-2.4 4,-1.0 -8,-0.2 -1,-0.2 0.914 104.3 49.6 -63.2 -39.7 26.1 34.5 42.6 96 98 A A H < S+ 0 0 55 -4,-1.6 4,-0.5 -5,-0.2 -1,-0.2 0.852 109.0 54.1 -68.1 -35.0 26.0 32.4 45.8 97 99 A I H >X S+ 0 0 2 -4,-1.5 4,-2.1 1,-0.2 3,-1.2 0.951 111.2 42.4 -64.6 -50.0 22.6 31.0 44.9 98 100 A L H 3< S+ 0 0 0 -4,-2.2 -46,-0.6 1,-0.3 -1,-0.2 0.627 106.8 64.6 -73.5 -12.6 23.7 29.7 41.4 99 101 A D T 3< S+ 0 0 71 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.620 121.0 18.6 -83.2 -13.1 26.9 28.5 43.0 100 102 A S T <4 S+ 0 0 55 -3,-1.2 2,-0.3 -4,-0.5 -2,-0.2 0.492 124.6 45.8-132.5 -5.9 25.0 26.0 45.0 101 103 A M < - 0 0 4 -4,-2.1 2,-0.3 -44,-0.1 -42,-0.2 -0.967 66.4-131.8-140.5 151.1 21.6 25.6 43.4 102 104 A D E - c 0 59A 3 -44,-2.1 -42,-1.9 -2,-0.3 2,-0.4 -0.775 18.6-147.5 -98.4 149.2 20.1 25.2 39.9 103 105 A I E -Bc 50 60A 0 -53,-2.2 -53,-2.9 -2,-0.3 2,-0.6 -0.970 5.7-160.3-119.5 128.1 17.2 27.4 38.6 104 106 A F E -Bc 49 61A 2 -44,-3.3 -42,-2.2 -2,-0.4 2,-0.5 -0.955 9.8-168.9-110.2 119.5 14.6 26.0 36.2 105 107 A L E -Bc 48 62A 1 -57,-3.0 -57,-2.8 -2,-0.6 2,-0.7 -0.928 11.4-173.2-115.1 118.4 12.7 28.6 34.3 106 108 A E E + c 0 63A 0 -44,-2.9 -42,-2.5 -2,-0.5 3,-0.3 -0.898 6.1 177.8-111.1 101.0 9.6 27.8 32.3 107 109 A I S S+ 0 0 1 -2,-0.7 2,-0.5 -61,-0.3 -30,-0.2 0.855 75.8 31.3 -68.3 -44.8 8.5 30.9 30.4 108 110 A V + 0 0 2 -62,-0.4 -62,-0.3 1,-0.1 -1,-0.2 -0.841 62.8 167.7-121.0 91.1 5.5 29.6 28.4 109 111 A T S S+ 0 0 1 -45,-1.8 -43,-0.2 -2,-0.5 -44,-0.1 0.767 81.5 36.2 -74.5 -23.7 3.9 26.8 30.4 110 112 A N > + 0 0 1 -45,-0.8 4,-1.7 -46,-0.2 -1,-0.3 -0.724 68.8 166.5-131.5 76.4 0.8 26.8 28.2 111 113 A P H > S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.833 73.9 56.2 -62.0 -37.9 2.1 27.4 24.6 112 114 A D H > S+ 0 0 1 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.931 111.6 42.4 -63.2 -47.9 -1.1 26.4 22.8 113 115 A G H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.847 112.2 55.6 -66.2 -34.7 -3.2 28.9 24.8 114 116 A F H X S+ 0 0 4 -4,-1.7 4,-1.0 2,-0.2 -2,-0.2 0.934 107.9 47.4 -63.2 -46.4 -0.5 31.5 24.4 115 117 A A H >X S+ 0 0 19 -4,-2.6 4,-1.8 1,-0.2 3,-0.7 0.909 110.7 55.0 -60.1 -38.0 -0.6 31.1 20.6 116 118 A F H 3X>S+ 0 0 22 -4,-1.9 4,-2.7 1,-0.2 5,-2.1 0.851 100.4 56.9 -65.3 -36.4 -4.4 31.4 20.9 117 119 A T H 3<5S+ 0 0 6 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.761 112.7 43.3 -67.5 -23.9 -4.3 34.7 22.7 118 120 A H H <<5S+ 0 0 67 -4,-1.0 -1,-0.2 -3,-0.7 -2,-0.2 0.749 123.6 34.2 -88.7 -32.0 -2.4 36.2 19.8 119 121 A S H <5S- 0 0 91 -4,-1.8 -2,-0.2 -5,-0.1 -3,-0.2 0.847 136.4 -8.9 -91.7 -42.3 -4.4 34.6 17.0 120 122 A Q T <5S+ 0 0 157 -4,-2.7 2,-0.5 -5,-0.2 -3,-0.2 0.732 122.4 29.7-127.3 -47.9 -8.0 34.5 18.3 121 123 A N > < - 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