==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CARBOXYPEPTIDASE 17-NOV-00 1HDU . COMPND 2 MOLECULE: CARBOXYPEPTIDASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS BOVIS; . AUTHOR J.H.CHO,N.-C.HA,S.J.CHUNG,D.H.KIM,K.Y.CHOI,B.-H.OH . 1232 8 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45875.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 840 68.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 116 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 72 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 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 . 88 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 111 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 384 31.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.0 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 4 0 0 4 0 8 0 0 0 4 4 0 0 4 0 4 4 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 0 4 4 4 4 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 . 2 0 8 0 0 0 4 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 4 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 1 A A 0 0 100 0, 0.0 3,-0.1 0, 0.0 6,-0.1 0.000 360.0 360.0 360.0 -70.3 4.1 -16.8 17.9 2 2 A R + 0 0 206 1,-0.2 2,-0.2 22,-0.0 3,-0.0 -0.426 360.0 35.9-132.3 56.9 1.6 -19.7 17.3 3 3 A S S >> S- 0 0 26 1,-0.0 3,-2.1 2,-0.0 4,-1.1 -0.509 76.0-124.6 161.0 129.6 -1.7 -17.9 17.1 4 4 A T T 34 S+ 0 0 0 1,-0.3 21,-0.1 2,-0.2 80,-0.0 0.716 112.9 64.4 -63.3 -15.9 -2.6 -14.5 15.7 5 5 A N T 34 S+ 0 0 119 1,-0.2 -1,-0.3 3,-0.0 -2,-0.0 0.661 106.9 40.5 -79.4 -15.8 -4.0 -13.8 19.1 6 6 A T T <4 S+ 0 0 102 -3,-2.1 -2,-0.2 2,-0.1 -1,-0.2 0.531 89.2 114.3-105.8 -12.4 -0.5 -14.1 20.7 7 7 A F S < S- 0 0 22 -4,-1.1 2,-0.9 1,-0.1 -3,-0.0 -0.319 72.3-120.2 -61.3 138.7 1.3 -12.2 17.9 8 8 A N > + 0 0 90 1,-0.2 3,-0.6 2,-0.0 -1,-0.1 -0.740 32.8 175.6 -87.6 104.3 2.9 -8.9 19.0 9 9 A Y T 3 S+ 0 0 37 -2,-0.9 -1,-0.2 1,-0.2 72,-0.1 0.584 70.9 71.6 -82.7 -10.7 1.3 -6.2 16.9 10 10 A A T 3 S+ 0 0 43 276,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.073 94.0 59.7 -94.4 23.7 3.1 -3.4 18.8 11 11 A T S < S- 0 0 51 -3,-0.6 2,-0.3 66,-0.1 0, 0.0 -0.957 86.5-100.1-145.5 162.0 6.6 -4.2 17.4 12 12 A Y - 0 0 47 -2,-0.3 2,-0.2 1,-0.0 -2,-0.1 -0.665 39.7-155.6 -86.2 139.6 8.3 -4.3 14.0 13 13 A H - 0 0 29 -2,-0.3 2,-0.1 1,-0.1 63,-0.0 -0.710 12.1-116.0-115.9 165.1 8.8 -7.7 12.4 14 14 A T > - 0 0 51 -2,-0.2 4,-1.9 1,-0.1 5,-0.2 -0.368 39.5 -99.3 -88.2 173.3 11.1 -9.4 9.9 15 15 A L H > S+ 0 0 16 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.932 122.6 50.9 -60.6 -47.4 10.0 -10.8 6.5 16 16 A D H > S+ 0 0 118 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.902 109.1 51.0 -59.1 -41.6 9.8 -14.3 7.8 17 17 A E H > S+ 0 0 83 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.888 111.2 47.6 -64.0 -38.7 7.7 -13.4 10.7 18 18 A I H X S+ 0 0 4 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.910 112.8 48.6 -68.7 -41.8 5.2 -11.5 8.5 19 19 A Y H X S+ 0 0 23 -4,-2.5 4,-1.4 2,-0.2 -2,-0.2 0.887 110.9 50.4 -65.7 -38.6 5.0 -14.4 6.1 20 20 A D H X S+ 0 0 100 -4,-2.5 4,-2.0 -5,-0.2 3,-0.3 0.919 106.1 57.2 -63.4 -42.7 4.5 -16.9 8.9 21 21 A F H X S+ 0 0 1 -4,-2.1 4,-2.8 1,-0.2 -1,-0.2 0.883 102.0 55.6 -53.5 -43.7 1.7 -14.6 10.2 22 22 A M H X S+ 0 0 4 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.897 107.2 48.6 -58.2 -43.0 -0.1 -14.9 6.9 23 23 A D H X S+ 0 0 74 -4,-1.4 4,-2.0 -3,-0.3 -1,-0.2 0.877 111.7 49.5 -66.4 -37.8 -0.2 -18.7 7.1 24 24 A L H X S+ 0 0 42 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.925 110.3 50.1 -67.1 -44.2 -1.5 -18.5 10.7 25 25 A L H X S+ 0 0 0 -4,-2.8 4,-1.6 1,-0.2 -2,-0.2 0.943 112.8 46.4 -59.7 -47.5 -4.3 -16.1 9.8 26 26 A V H < S+ 0 0 33 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.867 111.0 52.4 -62.2 -38.3 -5.4 -18.2 6.8 27 27 A A H < S+ 0 0 75 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.821 113.0 45.5 -67.2 -31.6 -5.3 -21.4 9.0 28 28 A Q H < S+ 0 0 63 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.708 125.3 29.2 -84.4 -22.9 -7.5 -19.7 11.6 29 29 A H >X + 0 0 60 -4,-1.6 4,-2.7 -5,-0.2 3,-1.6 -0.408 65.6 156.3-138.0 61.7 -10.0 -18.2 9.1 30 30 A P T 34 S+ 0 0 84 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.752 75.4 55.6 -56.5 -31.4 -10.2 -20.6 6.0 31 31 A E T 34 S+ 0 0 175 1,-0.1 3,-0.1 -3,-0.1 -5,-0.0 0.600 119.0 30.2 -81.5 -11.1 -13.6 -19.4 5.1 32 32 A L T <4 S+ 0 0 19 -3,-1.6 21,-2.4 1,-0.2 2,-0.4 0.720 116.9 41.2-117.4 -34.8 -12.7 -15.7 4.9 33 33 A V E < +A 52 0A 2 -4,-2.7 2,-0.3 19,-0.2 -1,-0.2 -0.946 50.4 174.9-127.8 143.4 -9.0 -15.4 3.9 34 34 A S E -A 51 0A 49 17,-1.7 17,-2.8 -2,-0.4 2,-0.5 -0.971 27.5-124.5-138.4 151.9 -6.7 -17.1 1.4 35 35 A K E -A 50 0A 59 -2,-0.3 2,-0.4 15,-0.2 15,-0.2 -0.874 24.2-168.9-103.4 125.8 -3.1 -16.5 0.4 36 36 A L E -A 49 0A 56 13,-3.0 13,-2.6 -2,-0.5 2,-0.7 -0.920 15.6-146.0-114.3 137.1 -2.3 -15.9 -3.3 37 37 A Q E +A 48 0A 103 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.904 18.1 178.5-101.5 111.8 1.2 -15.8 -4.8 38 38 A I E - 0 0 29 9,-1.9 2,-0.3 -2,-0.7 10,-0.1 0.425 59.2 -46.5 -94.3 1.4 1.1 -13.3 -7.6 39 39 A G E -A 47 0A 20 8,-0.8 8,-2.9 5,-0.0 2,-0.4 -0.979 59.9 -84.2 161.8-170.6 4.7 -13.6 -8.6 40 40 A R E -A 46 0A 152 -2,-0.3 138,-0.1 6,-0.3 5,-0.1 -0.979 37.5-115.5-131.1 145.4 8.3 -13.7 -7.4 41 41 A S > - 0 0 5 4,-3.2 3,-1.9 -2,-0.4 6,-0.1 -0.061 40.5 -93.1 -68.3 175.1 10.7 -10.8 -6.6 42 42 A Y T 3 S+ 0 0 117 1,-0.3 -1,-0.1 2,-0.1 90,-0.1 0.918 130.7 45.9 -56.8 -43.5 13.9 -10.1 -8.5 43 43 A E T 3 S- 0 0 98 1,-0.0 -1,-0.3 2,-0.0 -2,-0.1 0.268 127.0-100.3 -85.4 12.1 15.8 -12.2 -6.0 44 44 A G S < S+ 0 0 26 -3,-1.9 -2,-0.1 1,-0.3 3,-0.1 0.469 71.4 144.9 88.0 2.9 13.2 -15.0 -6.2 45 45 A R - 0 0 83 1,-0.1 -4,-3.2 -5,-0.1 -1,-0.3 -0.495 55.9-105.2 -75.4 142.0 11.2 -14.4 -3.1 46 46 A P E -A 40 0A 36 0, 0.0 2,-0.6 0, 0.0 -6,-0.3 -0.392 25.2-139.9 -67.8 143.8 7.4 -15.2 -3.4 47 47 A I E -A 39 0A 0 -8,-2.9 -9,-1.9 -2,-0.1 -8,-0.8 -0.930 25.1-163.5-105.4 115.3 5.1 -12.2 -3.6 48 48 A Y E -A 37 0A 43 -2,-0.6 2,-0.4 62,-0.3 62,-0.4 -0.777 15.6-171.9-106.9 147.5 2.0 -12.8 -1.6 49 49 A V E -A 36 0A 0 -13,-2.6 -13,-3.0 -2,-0.3 2,-0.5 -0.980 19.7-137.1-130.3 140.1 -1.4 -11.1 -1.5 50 50 A L E -AB 35 107A 1 57,-2.9 57,-3.0 -2,-0.4 2,-0.6 -0.895 15.8-155.8-101.1 128.0 -4.1 -11.9 1.1 51 51 A K E -AB 34 106A 45 -17,-2.8 -17,-1.7 -2,-0.5 2,-0.7 -0.904 4.6-165.0-106.1 119.5 -7.6 -12.2 -0.4 52 52 A F E +AB 33 105A 0 53,-3.1 53,-2.2 -2,-0.6 2,-0.3 -0.921 25.8 157.7-104.2 115.5 -10.5 -11.5 2.0 53 53 A S - 0 0 15 -21,-2.4 51,-0.1 -2,-0.7 3,-0.1 -0.992 41.2-163.8-141.9 151.1 -13.7 -12.8 0.4 54 54 A T - 0 0 47 46,-0.5 2,-0.3 1,-0.4 -1,-0.1 0.451 69.7 -77.4-107.5 -6.6 -17.1 -13.9 1.5 55 55 A G S S+ 0 0 29 -23,-0.1 -1,-0.4 2,-0.1 4,-0.3 -0.951 74.8 111.2 142.3-162.3 -17.9 -15.6 -1.7 56 56 A G - 0 0 56 -2,-0.3 -1,-0.0 -3,-0.1 46,-0.0 -0.087 64.1 -94.0 83.9 173.7 -19.0 -14.8 -5.3 57 57 A S S S- 0 0 115 1,-0.1 2,-0.1 -2,-0.0 -2,-0.1 0.902 100.5 -12.2 -90.5 -81.4 -17.1 -15.1 -8.6 58 58 A N S S- 0 0 104 129,-0.0 3,-0.1 3,-0.0 -2,-0.1 -0.473 80.2-178.4-123.1 58.0 -15.4 -11.8 -9.5 59 59 A R - 0 0 66 -4,-0.3 45,-0.1 1,-0.1 44,-0.1 -0.168 43.9 -84.4 -56.1 149.4 -17.0 -9.4 -7.1 60 60 A P - 0 0 43 0, 0.0 44,-1.9 0, 0.0 2,-0.3 -0.271 61.3-149.3 -54.0 145.0 -15.9 -5.8 -7.3 61 61 A A E -cd 104 189A 0 127,-2.2 129,-3.4 42,-0.2 130,-1.4 -0.853 21.6-141.1-129.4 162.3 -12.7 -5.4 -5.4 62 62 A I E -cd 105 191A 0 42,-2.0 44,-3.0 -2,-0.3 2,-0.4 -0.965 20.3-153.8-116.6 128.5 -10.6 -3.1 -3.3 63 63 A W E +cd 106 192A 0 128,-2.4 130,-3.4 -2,-0.5 2,-0.4 -0.883 14.8 176.4-106.8 135.0 -6.8 -3.2 -3.7 64 64 A I E +cd 107 193A 0 42,-2.1 44,-2.8 -2,-0.4 2,-0.4 -0.975 1.8 179.5-138.2 121.2 -4.5 -2.1 -0.9 65 65 A D E +cd 108 194A 0 128,-2.5 130,-2.9 -2,-0.4 2,-0.3 -0.932 0.3 179.9-123.1 149.3 -0.7 -2.3 -1.0 66 66 A L E + d 0 195A 0 42,-2.2 45,-1.9 -2,-0.4 46,-0.2 -0.936 58.8 33.6-139.0 159.8 1.9 -1.3 1.6 67 67 A G + 0 0 0 128,-0.6 45,-0.8 -2,-0.3 49,-0.1 0.716 56.8 140.9 68.9 22.5 5.7 -1.4 1.7 68 68 A I S S+ 0 0 3 127,-0.5 2,-0.7 1,-0.2 75,-0.3 0.855 79.0 50.8 -63.5 -29.2 6.4 -0.7 -1.9 69 69 A H S > S- 0 0 0 1,-0.1 3,-1.7 3,-0.1 -1,-0.2 -0.930 89.2-149.4-108.2 108.7 9.2 1.4 -0.4 70 70 A S T 3 S+ 0 0 0 -2,-0.7 57,-0.2 57,-0.7 -1,-0.1 0.758 87.1 58.9 -48.7 -40.4 11.0 -0.9 2.0 71 71 A R T 3 S+ 0 0 18 55,-1.0 2,-1.9 1,-0.2 -1,-0.3 0.594 79.9 89.2 -71.2 -11.2 12.2 1.7 4.6 72 72 A E X> + 0 0 0 -3,-1.7 3,-2.2 1,-0.2 4,-0.6 -0.423 53.9 167.3 -86.7 63.8 8.6 2.9 5.4 73 73 A W H 3> + 0 0 31 -2,-1.9 4,-1.9 206,-0.3 5,-0.2 0.710 63.1 70.7 -50.2 -32.0 8.2 0.2 8.1 74 74 A I H 3> S+ 0 0 2 205,-0.3 4,-1.6 -3,-0.2 -1,-0.3 0.812 95.3 58.6 -60.4 -25.8 5.1 1.7 9.6 75 75 A T H <> S+ 0 0 0 -3,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.954 106.1 42.1 -71.3 -49.8 3.3 0.6 6.4 76 76 A Q H X S+ 0 0 2 -4,-0.6 4,-1.9 1,-0.2 -1,-0.2 0.889 114.9 53.8 -63.9 -34.7 4.0 -3.2 6.6 77 77 A A H X S+ 0 0 16 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.866 109.6 47.0 -65.5 -36.6 3.2 -3.0 10.4 78 78 A T H X S+ 0 0 0 -4,-1.6 4,-2.7 -5,-0.2 -1,-0.2 0.868 108.3 56.3 -72.1 -37.1 -0.1 -1.3 9.6 79 79 A G H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.887 105.4 50.9 -61.4 -40.5 -0.9 -4.0 7.0 80 80 A V H X S+ 0 0 6 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.925 112.1 46.8 -63.2 -43.9 -0.4 -6.8 9.5 81 81 A W H X S+ 0 0 40 -4,-1.5 4,-2.7 1,-0.2 -2,-0.2 0.897 110.4 53.4 -64.9 -40.6 -2.8 -5.0 11.9 82 82 A F H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.926 105.4 54.1 -58.1 -47.8 -5.3 -4.5 9.1 83 83 A A H X S+ 0 0 0 -4,-2.3 4,-1.1 1,-0.2 -1,-0.2 0.889 112.4 43.1 -54.9 -45.0 -5.3 -8.2 8.2 84 84 A K H X S+ 0 0 14 -4,-1.6 4,-1.4 1,-0.2 -1,-0.2 0.895 111.3 54.6 -69.7 -41.6 -6.1 -9.1 11.8 85 85 A K H X S+ 0 0 38 -4,-2.7 4,-2.8 1,-0.2 3,-0.4 0.906 101.5 58.4 -61.0 -40.5 -8.7 -6.4 12.1 86 86 A F H X S+ 0 0 0 -4,-2.6 4,-1.5 1,-0.3 -1,-0.2 0.909 108.4 45.9 -54.5 -44.3 -10.6 -7.6 9.0 87 87 A T H < S+ 0 0 15 -4,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.766 115.3 47.9 -71.7 -24.4 -11.1 -11.0 10.6 88 88 A E H < S+ 0 0 103 -4,-1.4 -2,-0.2 -3,-0.4 -1,-0.2 0.845 114.5 42.0 -83.8 -37.1 -12.2 -9.5 13.9 89 89 A N H >X S+ 0 0 22 -4,-2.8 4,-3.1 -5,-0.1 3,-2.2 0.705 83.7 103.6 -86.5 -21.7 -14.7 -7.0 12.6 90 90 A Y T 3< S+ 0 0 70 -4,-1.5 5,-0.0 -5,-0.3 7,-0.0 -0.479 97.9 11.7 -65.2 124.2 -16.5 -9.1 10.0 91 91 A G T 34 S+ 0 0 48 2,-0.4 -1,-0.3 -2,-0.3 -2,-0.1 0.269 129.3 60.6 92.5 -11.2 -19.8 -10.1 11.5 92 92 A Q T <4 S+ 0 0 152 -3,-2.2 -2,-0.2 1,-0.2 -3,-0.1 0.736 93.0 58.3-113.3 -44.5 -19.3 -7.6 14.4 93 93 A N S X S- 0 0 45 -4,-3.1 4,-2.8 1,-0.1 -2,-0.4 -0.835 71.0-150.8 -94.3 117.6 -19.1 -4.2 12.7 94 94 A P H > S+ 0 0 108 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.856 93.7 47.2 -52.8 -43.6 -22.2 -3.4 10.7 95 95 A S H > S+ 0 0 50 2,-0.2 4,-1.6 1,-0.2 -5,-0.0 0.956 116.1 41.2 -67.6 -51.8 -20.4 -1.2 8.2 96 96 A F H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.896 112.3 55.5 -64.9 -39.7 -17.5 -3.5 7.5 97 97 A T H X S+ 0 0 24 -4,-2.8 4,-1.6 -8,-0.3 -1,-0.2 0.924 107.0 51.3 -58.0 -43.1 -19.7 -6.6 7.4 98 98 A A H X S+ 0 0 52 -4,-1.7 4,-0.6 -5,-0.3 -1,-0.2 0.879 109.8 51.0 -60.3 -39.4 -21.8 -4.8 4.7 99 99 A I H >X S+ 0 0 3 -4,-1.6 4,-2.1 1,-0.2 3,-1.1 0.955 112.2 43.6 -64.9 -51.6 -18.6 -4.1 2.7 100 100 A L H 3< S+ 0 0 0 -4,-2.6 -46,-0.5 1,-0.2 -1,-0.2 0.695 104.1 65.3 -69.2 -20.1 -17.3 -7.7 2.8 101 101 A D H 3< S+ 0 0 67 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.696 118.9 23.3 -75.2 -16.5 -20.7 -9.2 2.0 102 102 A S H << S+ 0 0 66 -3,-1.1 2,-0.3 -4,-0.6 -2,-0.2 0.578 123.8 41.8-121.8 -18.1 -20.6 -7.5 -1.4 103 103 A M < - 0 0 5 -4,-2.1 2,-0.3 -5,-0.1 -42,-0.2 -0.910 66.1-129.4-133.5 160.7 -16.9 -6.9 -2.2 104 104 A D E - c 0 61A 2 -44,-1.9 -42,-2.0 -2,-0.3 2,-0.4 -0.771 17.6-148.4-104.1 152.1 -13.5 -8.6 -2.0 105 105 A I E -Bc 52 62A 0 -53,-2.2 -53,-3.1 -2,-0.3 2,-0.5 -0.981 4.9-160.9-123.3 131.8 -10.5 -7.0 -0.4 106 106 A F E -Bc 51 63A 3 -44,-3.0 -42,-2.1 -2,-0.4 2,-0.5 -0.965 9.9-169.9-114.2 122.8 -6.9 -7.7 -1.6 107 107 A L E -Bc 50 64A 1 -57,-3.0 -57,-2.9 -2,-0.5 2,-0.7 -0.948 11.6-172.6-118.8 119.0 -4.1 -6.8 0.8 108 108 A E E + c 0 65A 0 -44,-2.8 -42,-2.2 -2,-0.5 3,-0.4 -0.894 7.1 177.3-110.7 102.6 -0.4 -6.9 -0.2 109 109 A I S S+ 0 0 1 -2,-0.7 2,-0.5 1,-0.2 -30,-0.2 0.871 75.7 33.1 -72.0 -42.4 1.5 -6.3 3.0 110 110 A V + 0 0 3 -62,-0.4 -62,-0.3 1,-0.1 -1,-0.2 -0.767 63.6 165.6-120.7 85.6 5.1 -6.6 1.7 111 111 A T S S+ 0 0 1 -45,-1.9 -43,-0.2 -2,-0.5 -44,-0.1 0.731 79.6 38.1 -70.7 -24.9 5.0 -5.2 -1.9 112 112 A N > + 0 0 1 -45,-0.8 4,-1.9 -46,-0.2 -1,-0.3 -0.720 68.5 166.5-128.6 76.4 8.9 -5.0 -2.1 113 113 A P H > S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.824 73.9 54.8 -63.3 -34.2 10.2 -8.1 -0.2 114 114 A N H > S+ 0 0 1 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.938 112.0 43.5 -66.2 -45.8 13.8 -7.8 -1.5 115 115 A G H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.866 111.9 54.9 -66.5 -35.9 14.1 -4.3 -0.2 116 116 A F H X S+ 0 0 4 -4,-1.9 4,-1.1 2,-0.2 3,-0.3 0.941 108.0 47.3 -63.6 -47.6 12.4 -5.2 3.0 117 117 A A H >X S+ 0 0 21 -4,-2.3 4,-1.5 1,-0.2 3,-0.5 0.887 110.5 55.2 -60.5 -37.0 14.8 -8.0 3.8 118 118 A F H 3X>S+ 0 0 34 -4,-1.8 4,-2.6 1,-0.2 5,-2.1 0.846 101.0 56.7 -65.7 -34.6 17.6 -5.5 2.9 119 119 A T H 3<5S+ 0 0 7 -4,-1.8 -1,-0.2 -3,-0.3 -2,-0.2 0.786 110.2 46.7 -68.0 -24.7 16.4 -3.0 5.4 120 120 A H H <<5S+ 0 0 68 -4,-1.1 -2,-0.2 -3,-0.5 -1,-0.2 0.776 122.6 31.1 -86.1 -29.3 16.7 -5.7 8.1 121 121 A S H <5S- 0 0 86 -4,-1.5 -2,-0.2 2,-0.1 -3,-0.2 0.757 135.6 -6.3-103.2 -28.8 20.2 -7.0 7.2 122 122 A E T <5S+ 0 0 157 -4,-2.6 2,-0.4 -5,-0.2 -3,-0.2 0.676 122.2 27.9-136.0 -45.7 22.2 -4.1 5.7 123 123 A N > < - 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