==== 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 07-OCT-03 1R4L . COMPND 2 MOLECULE: ANGIOTENSIN I CONVERTING ENZYME 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.TOWLER,B.STAKER,S.G.PRASAD,S.MENON,D.RYAN,J.TANG,T.PARSONS . 655 5 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27825.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 457 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 33 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 117 17.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 269 41.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.0 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 2 1 1 2 2 0 1 3 2 1 1 1 1 0 1 0 0 1 0 0 0 1 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 3 1 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 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 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 19 A S 0 0 152 0, 0.0 4,-0.2 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 157.9 3.2 20.6 0.9 2 20 A T - 0 0 100 1,-0.1 3,-0.3 2,-0.1 4,-0.2 0.107 360.0-127.5 -44.3 162.6 5.5 17.7 -0.1 3 21 A I S > S+ 0 0 69 1,-0.2 3,-0.7 2,-0.2 4,-0.5 0.662 107.3 72.5 -89.3 -19.9 5.9 14.8 2.3 4 22 A E T 3 S+ 0 0 20 1,-0.2 -1,-0.2 2,-0.1 -2,-0.1 -0.121 99.3 54.1 -82.6 36.5 9.7 15.2 2.2 5 23 A E T 3 S+ 0 0 77 -3,-0.3 4,-0.3 -2,-0.2 5,-0.2 0.443 86.1 69.7-139.9 -26.8 8.7 18.2 4.3 6 24 A Q S <> S+ 0 0 82 -3,-0.7 4,-0.8 -4,-0.2 -2,-0.1 0.628 114.6 37.1 -70.3 -12.0 6.6 16.7 7.1 7 25 A A H > S+ 0 0 4 -4,-0.5 4,-3.1 2,-0.2 5,-0.4 0.740 98.4 72.1-105.9 -39.2 10.0 15.3 8.1 8 26 A K H 4 S+ 0 0 80 1,-0.2 -2,-0.2 2,-0.2 -1,-0.1 0.544 118.8 27.9 -56.8 -2.4 12.2 18.3 7.2 9 27 A T H >>S+ 0 0 61 -4,-0.3 4,-3.8 2,-0.1 5,-0.5 0.611 111.5 63.7-119.5 -55.0 10.5 19.6 10.3 10 28 A F H <5S+ 0 0 11 -4,-0.8 -2,-0.2 1,-0.3 -3,-0.2 0.793 109.5 47.0 -42.1 -33.3 9.7 16.5 12.2 11 29 A L T >X5S+ 0 0 8 -4,-3.1 4,-2.9 2,-0.2 3,-1.0 0.945 114.1 43.9 -75.4 -51.4 13.5 16.2 12.4 12 30 A D H 3>5S+ 0 0 82 -5,-0.4 4,-0.6 1,-0.3 -2,-0.2 0.784 108.7 56.8 -65.1 -29.0 14.1 19.8 13.4 13 31 A K H 3X5S+ 0 0 140 -4,-3.8 4,-0.6 1,-0.2 -1,-0.3 0.698 114.0 45.2 -72.9 -16.4 11.3 19.6 15.9 14 32 A F H X>X S+ 0 0 66 -4,-4.7 3,-3.5 -5,-0.3 4,-2.0 0.991 110.1 50.4 -69.4 -66.7 19.9 14.7 26.1 23 41 A Y H 3X S+ 0 0 52 -4,-2.9 4,-1.8 1,-0.3 -2,-0.2 0.729 103.7 63.2 -42.8 -27.0 21.8 17.3 28.0 24 42 A Q H 3X S+ 0 0 96 -4,-1.8 4,-1.0 2,-0.2 -1,-0.3 0.872 112.7 34.4 -69.2 -34.5 19.4 16.6 30.8 25 43 A S H < S+ 0 0 5 -4,-1.4 3,-2.4 8,-0.2 -2,-0.2 0.991 106.6 48.9 -70.4 -64.4 27.5 9.8 38.4 33 51 A N T 3< S+ 0 0 33 -4,-1.6 -1,-0.2 1,-0.3 292,-0.2 0.463 118.3 45.4 -58.4 3.3 30.8 9.3 36.6 34 52 A T T 34 S+ 0 0 12 -4,-0.4 -1,-0.3 -3,-0.3 -2,-0.2 0.469 130.0 14.9-122.1 -9.3 32.1 12.0 38.9 35 53 A N << - 0 0 37 -3,-2.4 2,-2.4 -4,-0.5 -1,-0.2 -0.603 62.4-157.3-167.1 96.5 30.7 10.8 42.2 36 54 A I + 0 0 19 287,-3.3 -4,-0.1 1,-0.2 -3,-0.1 -0.221 48.3 134.1 -77.2 52.2 29.3 7.2 42.5 37 55 A T - 0 0 68 -2,-2.4 -1,-0.2 -6,-0.3 -5,-0.0 0.939 62.7-127.2 -58.4 -93.1 27.1 8.2 45.4 38 56 A E S > S+ 0 0 80 -3,-0.2 4,-2.1 0, 0.0 5,-0.3 -0.196 102.3 72.1 169.7 -48.8 23.8 6.5 44.5 39 57 A E H > S+ 0 0 129 1,-0.3 4,-1.9 2,-0.2 5,-0.1 0.899 104.9 48.4 -49.7 -36.6 21.5 9.5 44.8 40 58 A N H > S+ 0 0 26 2,-0.2 4,-2.0 -5,-0.2 -1,-0.3 0.801 103.5 60.8 -73.3 -32.1 23.4 10.4 41.7 41 59 A V H > S+ 0 0 15 -3,-0.2 4,-2.9 2,-0.2 3,-0.3 0.988 108.9 40.7 -57.9 -61.5 22.8 7.0 40.2 42 60 A Q H < S+ 0 0 87 -4,-2.1 5,-0.3 1,-0.3 -2,-0.2 0.943 110.7 55.8 -51.9 -57.7 19.0 7.3 40.2 43 61 A N H >X S+ 0 0 90 -4,-1.9 4,-1.6 -5,-0.3 3,-0.8 0.887 114.3 45.0 -41.8 -44.6 19.0 10.9 39.1 44 62 A M H >X S+ 0 0 22 -4,-2.0 4,-2.0 -16,-0.3 2,-1.1 0.991 111.1 46.9 -65.7 -65.0 21.0 9.5 36.2 45 63 A N H 3< S+ 0 0 32 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.083 114.2 53.4 -72.0 31.8 19.1 6.4 35.3 46 64 A N H <> S+ 0 0 94 -2,-1.1 4,-1.1 -3,-0.8 -1,-0.3 0.473 105.2 51.4-125.8 -40.2 16.0 8.7 35.5 47 65 A A H S+ 0 0 77 -5,-0.4 4,-1.9 2,-0.2 -2,-0.2 0.798 108.6 40.5 -71.5 -28.0 15.1 6.6 31.3 50 68 A K H X S+ 0 0 124 -4,-1.1 4,-3.3 2,-0.2 -2,-0.2 0.836 113.0 51.8 -85.0 -39.9 12.9 9.4 30.1 51 69 A W H X S+ 0 0 44 -4,-1.2 4,-3.0 2,-0.2 5,-0.3 0.842 109.5 54.4 -62.6 -29.6 15.2 10.1 27.2 52 70 A S H X S+ 0 0 66 -4,-1.7 4,-3.3 2,-0.2 -2,-0.2 0.997 111.8 40.7 -62.1 -62.7 14.7 6.4 26.7 53 71 A A H X S+ 0 0 52 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.787 116.5 52.8 -55.5 -32.8 10.9 6.9 26.7 54 72 A F H X S+ 0 0 12 -4,-3.3 4,-2.9 2,-0.2 -1,-0.2 0.983 113.8 38.9 -67.4 -59.0 11.3 10.1 24.6 55 73 A L H < S+ 0 0 57 -4,-3.0 -2,-0.2 2,-0.2 4,-0.2 0.881 115.7 54.8 -59.8 -40.6 13.4 8.5 21.9 56 74 A K H >X S+ 0 0 90 -4,-3.3 3,-2.2 -5,-0.3 4,-0.9 0.985 111.5 42.8 -55.6 -61.7 11.3 5.4 22.0 57 75 A E H >X S+ 0 0 90 -4,-2.1 4,-2.0 1,-0.3 3,-1.3 0.935 111.3 54.2 -50.7 -54.6 8.1 7.3 21.5 58 76 A Q H 3< S+ 0 0 9 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.471 98.0 68.9 -64.1 3.2 9.5 9.5 18.8 59 77 A S H <> S+ 0 0 2 -3,-2.2 4,-2.0 -4,-0.2 3,-0.5 0.860 105.5 36.8 -86.2 -40.4 10.5 6.3 17.0 60 78 A T H 4 S+ 0 0 0 -3,-0.5 3,-1.7 -5,-0.2 -2,-0.2 0.764 98.8 57.6-111.9 -48.3 8.9 8.8 13.1 63 81 A Q H 3< S+ 0 0 77 -4,-2.0 -2,-0.2 1,-0.3 -3,-0.1 0.462 81.2 93.8 -66.4 1.3 8.4 5.6 11.1 64 82 A M T 3< S+ 0 0 125 -4,-0.5 -1,-0.3 -5,-0.1 -3,-0.1 0.602 74.2 77.8 -68.2 -10.0 5.0 7.2 10.2 65 83 A Y S < S- 0 0 25 -3,-1.7 -3,-0.0 14,-0.1 4,-0.0 -0.900 93.6-117.2-104.2 122.3 7.0 8.4 7.2 66 84 A P - 0 0 61 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 -0.087 32.2-100.7 -54.9 156.6 7.6 5.9 4.4 67 85 A L S S+ 0 0 114 -4,-0.1 12,-0.1 2,-0.0 13,-0.0 0.915 99.3 8.2 -40.3 -92.8 11.2 4.9 3.6 68 86 A Q S S+ 0 0 87 1,-0.1 3,-0.1 -64,-0.0 0, 0.0 0.754 76.2 111.8 -62.0-122.8 12.1 6.8 0.5 69 87 A E S S+ 0 0 121 1,-0.2 2,-0.3 -65,-0.0 -1,-0.1 0.788 71.4 101.2 51.7 27.0 9.8 9.5 -0.8 70 88 A I - 0 0 28 -66,-0.1 -1,-0.2 -65,-0.0 3,-0.1 -0.993 48.6-179.1-145.9 134.1 12.6 11.8 0.3 71 89 A Q + 0 0 150 -2,-0.3 5,-0.4 1,-0.1 -1,-0.0 0.240 56.7 79.0-101.8-134.0 15.3 13.6 -1.5 72 90 A N S > S- 0 0 87 1,-0.2 3,-1.5 3,-0.1 4,-0.5 0.796 82.1-133.9 21.3 62.3 18.1 15.9 -0.2 73 91 A L T >> S+ 0 0 121 1,-0.3 4,-2.0 2,-0.2 3,-0.7 0.497 97.7 61.5 -5.9 -48.9 20.0 12.7 0.8 74 92 A T H 3> S+ 0 0 40 1,-0.2 4,-2.6 2,-0.2 5,-0.4 0.984 96.9 55.4 -52.1 -67.4 20.8 14.1 4.2 75 93 A V H <> S+ 0 0 18 -3,-1.5 4,-0.6 1,-0.2 -1,-0.2 0.708 111.2 50.4 -38.8 -26.4 17.2 14.5 5.4 76 94 A K H <> S+ 0 0 89 -3,-0.7 4,-2.1 -4,-0.5 3,-0.3 0.942 109.7 43.0 -81.5 -55.6 16.9 10.8 4.5 77 95 A L H X S+ 0 0 51 -4,-2.0 4,-1.2 -3,-0.3 -2,-0.2 0.830 111.7 57.0 -62.3 -30.4 19.8 9.2 6.3 78 96 A Q H X S+ 0 0 14 -4,-2.6 4,-0.9 -5,-0.2 -1,-0.3 0.872 105.8 51.5 -67.1 -33.8 19.0 11.4 9.3 79 97 A L H X S+ 0 0 2 -4,-0.6 4,-2.1 -5,-0.4 -2,-0.2 0.927 98.2 68.4 -66.1 -44.9 15.6 9.7 9.1 80 98 A Q H X S+ 0 0 96 -4,-2.1 4,-1.1 1,-0.2 -2,-0.2 0.862 96.3 51.5 -38.6 -59.3 17.2 6.3 9.1 81 99 A A H >< S+ 0 0 41 -4,-1.2 3,-1.4 1,-0.2 -1,-0.2 0.948 111.3 44.9 -45.7 -67.8 18.5 6.5 12.7 82 100 A L H 3< S+ 0 0 10 -4,-0.9 -1,-0.2 1,-0.3 -2,-0.2 0.820 103.8 62.7 -48.1 -45.3 15.2 7.5 14.3 83 101 A Q H 3< S+ 0 0 51 -4,-2.1 2,-0.5 -21,-0.2 -1,-0.3 0.808 83.6 93.1 -54.5 -32.6 13.1 4.9 12.4 84 102 A Q S << S- 0 0 87 -3,-1.4 2,-0.1 -4,-1.1 -24,-0.0 -0.519 87.6-121.1 -69.7 117.2 15.0 2.1 14.1 85 103 A N - 0 0 56 -2,-0.5 4,-0.1 1,-0.1 -1,-0.1 -0.408 36.1-135.0 -56.2 123.3 13.3 1.0 17.2 86 104 A G > - 0 0 38 1,-0.2 3,-1.8 -4,-0.2 -1,-0.1 0.415 51.9 -55.7 -62.3-151.3 16.0 1.6 19.8 87 105 A S G > S+ 0 0 46 1,-0.3 3,-0.9 2,-0.1 -1,-0.2 0.248 121.2 96.9 -74.9 17.8 16.9 -0.8 22.5 88 106 A S G 3> + 0 0 34 1,-0.2 4,-0.6 -36,-0.1 -1,-0.3 0.723 54.8 86.8 -75.7 -22.9 13.1 -0.4 23.1 89 107 A V G <4 S+ 0 0 47 -3,-1.8 -1,-0.2 -4,-0.1 2,-0.2 0.615 77.5 93.0 -51.3 -12.5 12.8 -3.5 21.0 90 108 A L T <4 S- 0 0 8 -3,-0.9 2,-3.3 1,-0.1 3,-0.0 -0.494 102.9 -85.9 -87.7 157.5 13.2 -5.1 24.5 91 109 A S T 4 - 0 0 75 -2,-0.2 3,-0.5 1,-0.2 5,-0.2 -0.286 49.8-129.1 -60.9 66.1 10.5 -6.2 26.9 92 110 A E S X S+ 0 0 113 -2,-3.3 4,-0.8 -4,-0.6 2,-0.8 0.190 106.8 41.6 22.9 -87.3 10.2 -2.7 28.5 93 111 A D T 4 S+ 0 0 114 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.101 114.1 59.4 -70.8 28.5 10.5 -4.0 32.1 94 112 A K T >> S+ 0 0 73 -2,-0.8 3,-1.6 -3,-0.5 4,-1.0 0.648 91.9 59.2-116.9 -54.2 13.3 -6.3 30.8 95 113 A S H 3> S+ 0 0 22 -3,-0.4 4,-2.1 1,-0.3 -2,-0.2 0.732 94.9 72.6 -50.1 -21.8 15.7 -3.8 29.4 96 114 A K H 3X S+ 0 0 95 -4,-0.8 4,-3.0 1,-0.2 -1,-0.3 0.964 92.6 51.7 -59.5 -50.6 15.7 -2.5 33.0 97 115 A R H <> S+ 0 0 87 -3,-1.6 4,-2.7 1,-0.2 -1,-0.2 0.849 104.1 58.8 -54.6 -35.6 17.7 -5.6 34.0 98 116 A L H X S+ 0 0 3 -4,-1.0 4,-4.3 2,-0.2 -1,-0.2 0.972 109.8 42.3 -57.4 -53.4 20.2 -4.7 31.3 99 117 A N H X S+ 0 0 64 -4,-2.1 4,-4.2 2,-0.3 5,-0.4 0.966 111.2 54.0 -56.0 -55.7 20.8 -1.3 32.9 100 118 A T H X S+ 0 0 71 -4,-3.0 4,-1.6 1,-0.2 -1,-0.2 0.887 116.2 41.5 -43.3 -43.3 20.9 -2.9 36.3 101 119 A I H X S+ 0 0 0 -4,-2.7 4,-2.3 -5,-0.2 -2,-0.3 0.945 116.3 48.3 -69.6 -51.5 23.5 -5.1 34.8 102 120 A L H X S+ 0 0 33 -4,-4.3 4,-1.8 1,-0.2 -2,-0.2 0.927 111.5 49.2 -55.0 -52.4 25.2 -2.3 32.9 103 121 A N H X S+ 0 0 34 -4,-4.2 4,-2.4 2,-0.2 -1,-0.2 0.895 112.9 47.0 -57.3 -45.6 25.3 0.0 35.9 104 122 A T H X S+ 0 0 47 -4,-1.6 4,-2.3 -5,-0.4 5,-0.4 0.999 105.6 57.1 -58.6 -68.4 26.8 -2.6 38.2 105 123 A M H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.3 -1,-0.2 0.783 110.6 47.8 -28.9 -46.9 29.4 -3.7 35.7 106 124 A S H X S+ 0 0 14 -4,-1.8 4,-2.5 -5,-0.2 -1,-0.3 0.985 113.5 44.0 -61.8 -61.7 30.6 -0.1 35.7 107 125 A T H <>S+ 0 0 34 -4,-2.4 5,-0.6 1,-0.2 -2,-0.2 0.953 110.0 56.5 -49.9 -56.7 30.6 0.4 39.5 108 126 A I H >X5S+ 0 0 22 -4,-2.3 4,-2.2 1,-0.2 3,-0.7 0.889 112.7 43.2 -40.6 -51.0 32.3 -3.0 40.0 109 127 A Y H 3<5S+ 0 0 15 -4,-1.9 2,-1.8 -5,-0.4 17,-0.3 0.991 119.3 39.4 -60.3 -66.4 35.1 -1.8 37.7 110 128 A S T 3<5S+ 0 0 23 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.1 -0.428 129.8 30.1 -85.8 64.2 35.5 1.7 39.0 111 129 A T T <45S+ 0 0 60 -2,-1.8 -1,-0.2 -3,-0.7 -3,-0.2 0.128 85.8 121.0 174.8 -29.9 35.1 0.7 42.7 112 130 A G << - 0 0 7 -4,-2.2 14,-0.4 -5,-0.6 2,-0.4 -0.198 43.2-160.5 -56.7 144.8 36.4 -2.8 43.0 113 131 A K - 0 0 117 12,-0.1 2,-0.4 13,-0.1 12,-0.2 -0.967 18.3-158.8-133.4 146.8 39.2 -3.5 45.4 114 132 A V E -A 124 0A 0 10,-1.7 10,-3.1 -2,-0.4 2,-0.5 -0.954 24.2-144.9-115.3 139.7 41.8 -6.1 45.9 115 133 A a E -A 123 0A 37 -2,-0.4 8,-0.3 8,-0.3 4,-0.1 -0.938 22.8-100.3-118.3 128.7 43.2 -6.2 49.5 116 134 A N > - 0 0 22 6,-3.4 3,-1.2 -2,-0.5 6,-0.3 -0.007 25.8-139.0 -37.9 131.7 46.8 -7.0 50.4 117 135 A P T 3 S+ 0 0 56 0, 0.0 -1,-0.1 0, 0.0 498,-0.1 0.948 102.4 48.1 -60.9 -52.8 47.2 -10.6 51.7 118 136 A D T 3 S+ 0 0 134 1,-0.2 -2,-0.1 2,-0.1 497,-0.0 0.159 125.1 30.4 -76.9 17.6 49.6 -9.7 54.5 119 137 A N X - 0 0 60 -3,-1.2 3,-3.5 3,-0.1 -1,-0.2 -0.250 65.3-159.6-177.8 79.8 47.3 -6.8 55.6 120 138 A P T 3 S+ 0 0 87 0, 0.0 -2,-0.1 0, 0.0 -4,-0.0 0.515 93.5 58.0 -40.2 -11.0 43.5 -7.1 55.1 121 139 A Q T 3 S+ 0 0 149 1,-0.1 2,-1.4 -6,-0.1 -3,-0.0 0.584 79.8 85.1-103.9 -11.6 43.4 -3.3 55.4 122 140 A E < + 0 0 94 -3,-3.5 -6,-3.4 -6,-0.3 2,-0.3 -0.754 63.1 169.0 -91.1 92.7 45.7 -2.3 52.6 123 141 A a E -A 115 0A 56 -2,-1.4 2,-0.4 -8,-0.3 -8,-0.3 -0.810 20.3-151.3-105.2 148.6 43.2 -2.3 49.7 124 142 A L E -A 114 0A 42 -10,-3.1 -10,-1.7 -2,-0.3 5,-0.1 -0.975 4.4-148.1-127.6 131.2 43.9 -1.0 46.3 125 143 A L > - 0 0 58 3,-0.5 5,-1.6 -2,-0.4 6,-0.3 -0.317 37.8-106.8 -79.1 171.2 41.5 0.5 43.7 126 144 A L T >S+ 0 0 11 -14,-0.4 5,-0.9 -17,-0.3 3,-0.2 0.782 103.3 77.5 -73.9 -22.8 42.4 -0.1 40.1 127 145 A E T 5S- 0 0 36 1,-0.4 -1,-0.2 3,-0.1 2,-0.1 -0.896 111.8 -2.4-134.8 105.4 43.3 3.6 39.8 128 146 A P T 5S+ 0 0 70 0, 0.0 2,-0.5 0, 0.0 -3,-0.5 0.690 130.8 33.9-105.3-173.4 45.9 3.9 41.1 129 147 A G T >5S+ 0 0 11 -3,-0.2 4,-3.0 -5,-0.1 5,-0.4 -0.780 115.8 45.7 124.0 -88.4 47.6 0.9 42.7 130 148 A L H >> S+ 0 0 42 1,-0.2 4,-1.3 2,-0.2 3,-0.5 0.901 117.2 48.0 -51.6 -41.3 50.8 2.0 39.3 133 151 A I H >X S+ 0 0 21 -4,-3.0 3,-1.3 1,-0.2 4,-1.0 0.980 108.9 49.4 -62.2 -61.1 52.1 -1.5 40.1 134 152 A M H 3< S+ 0 0 0 -4,-2.1 116,-0.2 -5,-0.4 -1,-0.2 0.556 118.5 44.1 -57.0 -8.2 51.3 -3.1 36.7 135 153 A A H << S+ 0 0 25 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.596 132.0 13.3-110.8 -18.7 53.0 -0.1 35.1 136 154 A N H << S+ 0 0 111 -4,-1.3 -3,-0.2 -3,-1.3 -2,-0.2 0.703 89.8 103.0-124.4 -53.5 56.1 0.1 37.4 137 155 A S < - 0 0 10 -4,-1.0 3,-0.0 -5,-0.4 0, 0.0 0.026 38.8-173.0 -38.0 142.8 56.7 -2.9 39.6 138 156 A L + 0 0 114 5,-0.0 2,-1.4 -3,-0.0 -1,-0.2 0.298 52.4 112.3-118.9 -2.5 59.5 -5.1 38.3 139 157 A D >> - 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0 0 85 -2,-0.3 -2,-0.1 1,-0.2 -1,-0.0 0.094 68.4 -67.8 27.5-104.9 71.2 16.6 17.2 412 430 A E T 3 - 0 0 43 -15,-0.0 -1,-0.2 -14,-0.0 5,-0.2 0.016 60.9-149.2-165.2 32.7 69.1 13.6 16.2 413 431 A D X> - 0 0 48 -3,-0.9 3,-1.6 1,-0.2 4,-0.9 0.399 25.8-115.0 -11.0 131.6 71.6 10.8 16.2 414 432 A N H 3> S+ 0 0 140 1,-0.3 4,-0.6 2,-0.2 -1,-0.2 0.633 120.8 52.5 -53.8 -7.7 70.8 8.1 13.6 415 433 A E H 3> S+ 0 0 56 2,-0.2 4,-1.3 1,-0.1 -1,-0.3 0.694 89.4 66.9-102.4 -26.4 70.3 6.1 16.8 416 434 A T H <> S+ 0 0 16 -3,-1.6 4,-2.6 1,-0.2 -2,-0.2 0.691 99.6 64.6 -66.9 -13.3 67.9 8.3 18.8 417 435 A E H X S+ 0 0 25 -4,-0.9 4,-3.4 2,-0.3 5,-0.3 0.986 101.3 39.2 -71.0 -66.4 65.7 7.2 15.9 418 436 A I H X S+ 0 0 22 -4,-0.6 4,-0.8 1,-0.2 -1,-0.2 0.782 118.4 58.1 -56.2 -21.9 65.5 3.4 16.5 419 437 A N H X S+ 0 0 3 -4,-1.3 4,-0.8 2,-0.2 3,-0.3 0.960 112.5 33.3 -71.9 -54.8 65.3 4.6 20.0 420 438 A F H >X S+ 0 0 1 -4,-2.6 4,-1.6 1,-0.2 3,-0.8 0.930 117.2 55.2 -67.5 -47.0 62.2 6.8 19.6 421 439 A L H 3X S+ 0 0 0 -4,-3.4 4,-2.0 1,-0.2 -1,-0.2 0.695 101.0 59.6 -60.9 -22.5 60.6 4.6 17.0 422 440 A L H 3X S+ 0 0 0 -4,-0.8 4,-2.0 -5,-0.3 -1,-0.2 0.825 102.4 52.9 -78.1 -29.6 60.8 1.6 19.4 423 441 A K H X S+ 0 0 13 -4,-1.6 4,-3.5 1,-0.3 3,-0.8 0.922 110.3 52.0 -41.8 -60.7 56.0 4.1 19.4 425 443 A A H 3X>S+ 0 0 0 -4,-2.0 5,-2.4 1,-0.3 4,-0.8 0.887 106.4 56.1 -44.3 -45.4 56.0 0.5 18.2 426 444 A L H 3<5S+ 0 0 0 -4,-2.0 -169,-1.3 -3,-0.4 -1,-0.3 0.906 119.3 30.9 -54.7 -45.9 55.6 -0.4 21.8 427 445 A T H S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.874 122.4 45.1 -68.1 -32.3 47.2 -7.7 17.8 434 452 A F H X S+ 0 0 5 -4,-0.7 4,-1.8 2,-0.2 -2,-0.2 0.898 114.7 48.6 -72.2 -42.0 45.7 -7.1 21.4 435 453 A T H X S+ 0 0 0 -4,-4.8 4,-1.2 -180,-0.2 -3,-0.2 0.859 116.2 44.0 -65.3 -40.2 43.2 -4.7 20.0 436 454 A Y H X S+ 0 0 17 -4,-2.7 4,-2.3 -5,-0.3 3,-0.3 0.988 111.0 49.7 -67.3 -66.5 42.2 -7.1 17.3 437 455 A M H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 5,-0.3 0.852 108.6 53.6 -41.8 -51.4 42.0 -10.4 19.2 438 456 A L H X S+ 0 0 3 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.934 111.2 44.4 -55.1 -52.3 39.8 -9.0 22.0 439 457 A E H X S+ 0 0 1 -4,-1.2 4,-2.2 -3,-0.3 -1,-0.2 0.866 110.9 56.4 -62.4 -34.6 37.2 -7.7 19.6 440 458 A K H >X S+ 0 0 32 -4,-2.3 4,-3.1 2,-0.2 3,-1.2 0.996 110.4 41.9 -59.6 -60.8 37.3 -10.9 17.6 441 459 A W H 3X S+ 0 0 2 -4,-2.6 4,-2.4 1,-0.3 -1,-0.2 0.886 112.4 57.2 -49.8 -40.7 36.5 -13.0 20.7 442 460 A R H 3X S+ 0 0 1 -4,-2.5 4,-1.4 -5,-0.3 -1,-0.3 0.839 112.7 40.5 -58.5 -37.4 34.0 -10.2 21.5 443 461 A W H S+ 0 0 24 -4,-3.1 4,-3.9 1,-0.2 6,-0.6 0.857 108.8 48.7 -39.5 -47.4 32.7 -14.7 18.3 445 463 A V H <5S+ 0 0 10 -4,-2.4 5,-0.3 -5,-0.3 -1,-0.2 0.968 113.3 41.7 -63.3 -57.3 30.6 -14.6 21.5 446 464 A F H <5S+ 0 0 1 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.923 118.6 50.6 -56.0 -43.1 27.8 -12.4 20.3 447 465 A K H <5S- 0 0 67 -4,-3.7 -2,-0.2 -5,-0.1 -1,-0.2 0.988 115.3-120.0 -55.3 -65.9 27.9 -14.4 17.1 448 466 A G T <5S+ 0 0 43 -4,-3.9 -3,-0.2 -5,-0.2 -4,-0.1 0.099 76.8 122.9 145.8 -21.9 27.8 -17.7 18.9 449 467 A E S - 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0 0 98 -2,-0.7 3,-2.1 1,-0.1 2,-0.2 -0.127 36.5 -95.8 -65.7 163.4 38.5 -21.6 35.1 477 495 A E T 3 S+ 0 0 59 1,-0.3 -1,-0.1 -24,-0.1 -22,-0.1 0.091 118.0 81.9 -72.9 28.0 35.2 -20.6 33.4 478 496 A T T 3 S+ 0 0 50 -2,-0.2 -1,-0.3 -319,-0.0 -319,-0.2 0.673 86.3 69.4 -97.9 -28.4 34.4 -18.9 36.7 479 497 A Y < - 0 0 21 -3,-2.1 -23,-0.1 -320,-0.1 -327,-0.1 0.356 61.4-161.2 -70.2-158.7 36.5 -16.0 35.5 480 498 A C > + 0 0 0 -329,-0.1 3,-1.4 -24,-0.1 -3,-0.1 0.066 16.3 169.0 170.7 51.9 35.9 -13.3 32.9 481 499 A D G > S+ 0 0 4 1,-0.3 3,-1.3 2,-0.2 2,-0.1 0.811 76.1 61.4 -48.2 -39.2 39.3 -11.8 32.1 482 500 A P G 3 S+ 0 0 2 0, 0.0 -1,-0.3 0, 0.0 -26,-0.0 0.086 98.6 60.9 -82.6 32.5 37.9 -10.0 29.0 483 501 A A G < S+ 0 0 1 -3,-1.4 -2,-0.2 5,-0.1 3,-0.1 0.021 87.9 69.4-138.6 21.4 35.5 -8.1 31.3 484 502 A S S < S+ 0 0 0 -3,-1.3 2,-0.2 1,-0.1 3,-0.1 0.000 76.1 87.2-127.6 21.0 38.1 -6.4 33.5 485 503 A L S > S- 0 0 3 1,-0.3 3,-1.6 -232,-0.0 5,-0.1 -0.528 87.4-130.6-119.8 60.5 39.3 -4.1 30.7 486 504 A F T 3> S+ 0 0 13 1,-0.3 4,-1.5 -2,-0.2 -1,-0.3 0.047 101.0 66.0 32.0 -92.6 36.9 -1.2 31.1 487 505 A H T 34 S+ 0 0 2 2,-0.2 -1,-0.3 1,-0.2 3,-0.2 0.702 106.1 45.8 -17.5 -50.1 35.9 -1.0 27.4 488 506 A V T X4 S+ 0 0 0 -3,-1.6 3,-1.7 1,-0.2 -1,-0.2 0.963 113.8 42.8 -64.8 -81.0 34.3 -4.4 27.8 489 507 A S T 34 S+ 0 0 0 1,-0.3 -2,-0.2 -384,-0.1 -1,-0.2 0.492 119.5 46.4 -43.7 -8.4 32.4 -4.0 31.1 490 508 A N T 3< S- 0 0 21 -4,-1.5 2,-0.5 1,-0.4 -1,-0.3 -0.130 110.2-115.8-128.3 37.2 31.1 -0.5 30.0 491 509 A D < + 0 0 30 -3,-1.7 -1,-0.4 -5,-0.2 0, 0.0 -0.525 59.3 144.7 64.5-113.9 30.1 -1.3 26.5 492 510 A Y - 0 0 124 -2,-0.5 -2,-0.1 -3,-0.1 -1,-0.1 0.872 54.7-114.3 46.6 106.6 32.3 0.8 24.2 493 511 A S - 0 0 6 1,-0.1 -6,-0.0 2,-0.0 4,-0.0 -0.299 24.6-156.7 -61.5 156.4 33.2 -1.0 20.9 494 512 A F S > S+ 0 0 0 2,-0.1 3,-2.4 1,-0.1 4,-0.4 0.785 73.8 77.4-109.6 -31.6 36.9 -1.8 20.8 495 513 A I T >> S+ 0 0 2 1,-0.3 4,-2.4 2,-0.2 3,-0.6 0.615 75.0 81.5 -55.6 -15.3 37.8 -2.1 17.1 496 514 A R H 3> S+ 0 0 39 1,-0.3 4,-2.9 2,-0.2 -1,-0.3 0.805 89.5 56.9 -61.0 -25.4 37.8 1.7 16.6 497 515 A Y H <> S+ 0 0 19 -3,-2.4 4,-1.2 2,-0.2 -1,-0.3 0.799 106.4 47.4 -74.4 -31.2 41.3 1.4 18.1 498 516 A Y H <> S+ 0 0 0 -3,-0.6 4,-1.3 -4,-0.4 3,-0.3 0.982 119.5 38.0 -69.5 -59.0 42.3 -1.0 15.4 499 517 A T H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.872 113.3 57.1 -57.9 -43.9 40.9 1.2 12.6 500 518 A R H X S+ 0 0 17 -4,-2.9 4,-2.8 -5,-0.3 -1,-0.2 0.880 101.8 58.0 -56.4 -39.0 41.9 4.4 14.3 501 519 A T H X S+ 0 0 3 -4,-1.2 4,-0.9 -3,-0.3 -1,-0.2 0.895 111.6 38.9 -61.2 -43.5 45.5 3.1 14.3 502 520 A L H X S+ 0 0 0 -4,-1.3 4,-1.1 -3,-0.2 3,-0.4 0.882 115.2 51.2 -75.6 -40.0 45.6 2.7 10.5 503 521 A Y H >X S+ 0 0 3 -4,-2.7 4,-2.2 1,-0.2 3,-1.7 0.980 100.3 69.6 -56.3 -53.6 43.6 5.9 9.8 504 522 A Q H 3X S+ 0 0 2 -4,-2.8 4,-0.8 1,-0.3 -1,-0.2 0.772 103.2 38.5 -27.4 -56.0 46.1 7.6 12.0 505 523 A F H 3X S+ 0 0 0 -4,-0.9 4,-2.0 -3,-0.4 -1,-0.3 0.740 110.7 57.9 -78.6 -22.5 49.0 7.3 9.6 506 524 A Q H < S+ 0 0 2 -4,-1.8 3,-1.0 2,-0.2 -2,-0.2 0.828 108.5 55.4 -67.6 -35.6 49.1 16.6 6.4 512 530 A c G >< S+ 0 0 4 -4,-1.7 3,-2.4 1,-0.3 5,-0.4 0.986 110.2 46.3 -59.2 -52.4 52.9 16.5 6.5 513 531 A Q G 3 S+ 0 0 158 -4,-0.3 -1,-0.3 1,-0.3 -2,-0.2 0.511 109.8 57.6 -65.2 -2.8 52.7 16.8 2.8 514 532 A A G < S+ 0 0 23 -3,-1.0 -1,-0.3 1,-0.1 -2,-0.2 0.053 110.6 39.9-113.5 18.7 50.2 19.6 3.6 515 533 A A S < S- 0 0 37 -3,-2.4 -2,-0.2 16,-0.1 -3,-0.1 0.057 122.7-105.3-146.2 9.8 52.7 21.5 5.7 516 534 A K + 0 0 157 -4,-0.2 2,-0.3 -5,-0.1 -3,-0.2 0.989 53.9 177.1 55.2 79.3 55.5 20.8 3.3 517 535 A H - 0 0 37 -5,-0.4 -1,-0.1 2,-0.1 7,-0.1 -0.711 18.1-168.5-105.4 159.3 57.5 18.1 5.1 518 536 A E + 0 0 155 -2,-0.3 3,-0.1 2,-0.1 -1,-0.0 -0.077 57.5 58.8-145.5 43.8 60.5 16.4 3.6 519 537 A G S S- 0 0 38 1,-0.1 4,-0.1 0, 0.0 -2,-0.1 -0.801 99.3 -53.6-150.3-171.7 61.6 13.4 5.7 520 538 A P > - 0 0 71 0, 0.0 3,-0.8 0, 0.0 -2,-0.1 -0.418 58.4-111.0 -68.4 155.7 60.0 10.2 6.8 521 539 A L G > S+ 0 0 18 1,-0.3 3,-1.2 2,-0.2 48,-0.1 0.679 114.7 73.4 -63.2 -14.1 56.7 10.9 8.6 522 540 A H G 3 S+ 0 0 9 1,-0.3 -1,-0.3 47,-0.1 -101,-0.1 -0.026 101.7 44.2 -86.5 30.3 58.3 9.8 11.9 523 541 A K G < S+ 0 0 57 -3,-0.8 2,-0.5 -4,-0.1 -1,-0.3 0.134 87.8 126.6-148.9 -0.4 60.1 13.1 11.7 524 542 A c < - 0 0 0 -3,-1.2 -128,-0.1 1,-0.1 -12,-0.1 -0.574 36.3-175.6 -76.9 119.5 57.0 15.0 10.7 525 543 A D + 0 0 65 -2,-0.5 -1,-0.1 1,-0.1 -129,-0.1 0.943 6.3 175.9 -71.8 -93.2 56.3 18.0 12.8 526 544 A I > + 0 0 6 1,-0.4 3,-0.6 -11,-0.1 7,-0.2 0.250 33.6 133.3 99.0 -5.6 52.9 19.5 11.7 527 545 A S T 3 + 0 0 33 1,-0.2 -1,-0.4 -134,-0.1 -227,-0.1 -0.497 69.7 12.7 -78.3 145.3 52.8 22.1 14.5 528 546 A N T 3 S+ 0 0 123 -232,-0.4 2,-0.8 1,-0.2 -1,-0.2 0.239 92.7 126.7 76.0 -12.2 52.0 25.8 13.6 529 547 A S <> + 0 0 16 -3,-0.6 4,-3.0 1,-0.2 -1,-0.2 -0.694 32.2 175.4 -82.7 108.2 50.8 24.7 10.1 530 548 A T H > S+ 0 0 66 -2,-0.8 4,-3.1 2,-0.3 5,-0.5 0.716 82.8 72.0 -79.7 -21.7 47.3 26.0 9.4 531 549 A E H > S+ 0 0 129 3,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.921 111.6 30.5 -54.3 -40.4 47.9 24.5 6.0 532 550 A A H > S+ 0 0 1 2,-0.2 4,-1.6 3,-0.1 5,-0.4 0.933 120.7 48.9 -82.8 -57.1 47.5 21.3 8.0 533 551 A G H X S+ 0 0 2 -4,-3.0 4,-2.6 1,-0.2 -3,-0.2 0.958 113.3 50.9 -47.4 -54.8 45.1 22.5 10.7 534 552 A Q H X S+ 0 0 102 -4,-3.1 4,-2.3 2,-0.2 5,-0.3 0.925 108.2 50.3 -48.2 -60.6 42.9 24.0 8.1 535 553 A K H >X S+ 0 0 69 -4,-1.3 3,-0.9 -5,-0.5 4,-0.7 0.944 113.3 44.0 -43.0 -75.8 42.7 20.9 5.9 536 554 A L H >X S+ 0 0 17 -4,-1.6 4,-2.4 1,-0.3 3,-1.3 0.804 110.4 59.6 -39.7 -38.5 41.8 18.5 8.8 537 555 A F H 3X S+ 0 0 67 -4,-2.6 4,-2.1 -5,-0.4 -1,-0.3 0.960 98.0 54.7 -56.3 -55.3 39.3 21.2 9.9 538 556 A N H << S+ 0 0 77 -4,-2.3 -1,-0.3 -3,-0.9 -2,-0.2 0.557 113.6 48.6 -55.5 -8.3 37.4 21.1 6.6 539 557 A M H X< S+ 0 0 12 -3,-1.3 3,-0.8 -4,-0.7 -2,-0.2 0.838 106.5 49.5 -97.7 -51.7 37.2 17.4 7.5 540 558 A L H >< S+ 0 0 6 -4,-2.4 3,-1.8 1,-0.2 -163,-0.2 0.895 101.1 64.6 -58.2 -45.3 36.0 17.3 11.1 541 559 A R T 3< S+ 0 0 110 -4,-2.1 -1,-0.2 1,-0.3 -3,-0.1 0.772 82.8 75.4 -54.4 -30.9 33.2 19.8 10.5 542 560 A L T X S- 0 0 41 -3,-0.8 3,-1.8 1,-0.2 -1,-0.3 0.523 80.5-164.4 -62.5 -2.6 31.2 17.5 8.2 543 561 A G T < - 0 0 2 -3,-1.8 -165,-0.3 1,-0.2 -168,-0.2 -0.280 59.7 -39.7 54.6-136.0 30.1 15.3 11.3 544 562 A K T 3 S+ 0 0 58 -170,-2.4 -1,-0.2 -167,-0.2 -169,-0.1 -0.274 107.8 111.0-115.8 43.5 28.8 12.0 10.1 545 563 A S S < S+ 0 0 22 -3,-1.8 -1,-0.1 1,-0.1 -2,-0.1 -0.215 72.5 51.0-108.3 38.6 26.9 13.4 7.1 546 564 A E S S- 0 0 62 -168,-0.1 -1,-0.1 -3,-0.1 5,-0.1 -0.718 99.0 -96.7-174.1 117.8 29.2 11.9 4.5 547 565 A P >> - 0 0 30 0, 0.0 4,-2.7 0, 0.0 3,-0.6 -0.113 33.2-127.9 -42.1 130.8 30.3 8.2 4.2 548 566 A W H 3> S+ 0 0 5 -170,-0.5 4,-4.0 1,-0.3 5,-0.2 0.797 108.7 63.3 -54.0 -30.7 33.7 7.9 5.9 549 567 A T H 3> S+ 0 0 2 -352,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.945 109.1 38.0 -60.2 -49.4 34.9 6.3 2.7 550 568 A L H <> S+ 0 0 35 -3,-0.6 4,-3.2 2,-0.2 5,-0.3 0.977 117.6 51.2 -64.3 -53.8 34.2 9.4 0.7 551 569 A A H X S+ 0 0 7 -4,-2.7 4,-0.9 2,-0.2 -2,-0.2 0.908 111.4 47.5 -48.4 -49.6 35.4 11.6 3.6 552 570 A L H >X S+ 0 0 0 -4,-4.0 4,-2.9 1,-0.2 3,-1.8 0.972 112.7 49.9 -56.2 -54.5 38.6 9.5 3.8 553 571 A E H 3< S+ 0 0 70 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.860 107.9 52.8 -51.3 -44.7 39.0 9.8 0.1 554 572 A N H 3< S+ 0 0 116 -4,-3.2 -1,-0.3 1,-0.1 -2,-0.2 0.644 119.8 34.7 -70.1 -13.6 38.5 13.6 0.1 555 573 A V H << S+ 0 0 15 -3,-1.8 2,-0.5 -4,-0.9 -2,-0.2 0.851 130.2 17.3-103.8 -57.1 41.2 13.9 2.8 556 574 A V S < S- 0 0 10 -4,-2.9 -1,-0.3 2,-0.3 -2,-0.1 -0.939 92.1-105.3-125.0 107.4 43.9 11.3 2.1 557 575 A G S S+ 0 0 66 -2,-0.5 -1,-0.1 -3,-0.1 -2,-0.1 0.320 94.7 73.7 13.7 -85.4 43.9 9.7 -1.4 558 576 A A - 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