==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-APR-08 3CSK . COMPND 2 MOLECULE: PROBABLE DIPEPTIDYL-PEPTIDASE 3; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR P.K.BARAL,N.JAJCANIN,S.DELLER,P.MACHEROUX,M.ABRAMIC,K.GRUBER . 710 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30204.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 490 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 7.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 47 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 78 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 251 35.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 3.0 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 4 1 1 1 2 1 3 0 1 3 2 0 1 0 1 1 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 1 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 PARALLEL BRIDGES PER LADDER . 4 1 1 2 2 1 0 1 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 . 3 3 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 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 S 0 0 170 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 145.1 4.9 -1.9 29.1 2 3 A H - 0 0 108 2,-0.1 0, 0.0 1,-0.1 0, 0.0 -0.585 360.0-143.7 -99.1 163.2 1.6 -2.8 27.4 3 4 A F + 0 0 61 -2,-0.2 106,-2.7 105,-0.1 2,-0.2 0.068 61.3 118.2-111.9 22.1 1.0 -3.8 23.8 4 5 A F B S-a 109 0A 81 104,-0.3 -2,-0.1 1,-0.1 3,-0.1 -0.593 70.1-103.8 -90.2 150.9 -2.3 -2.0 23.4 5 6 A A - 0 0 2 104,-2.7 84,-0.1 -2,-0.2 -1,-0.1 -0.285 52.1 -85.5 -62.8 157.3 -3.1 0.8 21.0 6 7 A D - 0 0 24 82,-0.2 2,-0.4 83,-0.1 3,-0.3 -0.304 36.9-141.9 -66.8 148.4 -3.3 4.3 22.4 7 8 A H S S+ 0 0 88 1,-0.2 -1,-0.0 -3,-0.1 78,-0.0 -0.953 81.2 4.9-113.6 133.3 -6.6 5.5 24.0 8 9 A D S S- 0 0 107 -2,-0.4 422,-0.2 1,-0.2 -1,-0.2 0.871 84.4-178.2 62.8 38.1 -7.6 9.1 23.5 9 10 A A - 0 0 16 -3,-0.3 2,-0.2 662,-0.1 -1,-0.2 -0.487 31.4-110.3 -66.8 135.8 -4.7 9.8 21.2 10 11 A P - 0 0 3 0, 0.0 665,-2.9 0, 0.0 2,-0.5 -0.500 31.2-153.4 -68.5 133.7 -4.6 13.4 20.0 11 12 A L E -b 675 0B 12 685,-0.3 2,-0.5 -2,-0.2 665,-0.2 -0.952 7.7-166.2-115.3 124.7 -5.4 13.8 16.3 12 13 A S E -b 676 0B 14 663,-2.5 665,-3.0 -2,-0.5 2,-0.8 -0.932 13.6-145.7-112.5 122.5 -4.1 16.7 14.2 13 14 A M E -b 677 0B 19 -2,-0.5 2,-3.0 663,-0.2 665,-0.2 -0.772 19.9-134.6 -82.4 112.7 -5.4 17.6 10.8 14 15 A L - 0 0 5 663,-2.8 665,-0.5 -2,-0.8 2,-0.4 -0.384 36.2-173.2 -67.4 73.4 -2.5 18.9 8.8 15 16 A S + 0 0 34 -2,-3.0 5,-0.1 1,-0.2 371,-0.0 -0.567 33.0 143.8 -78.7 126.7 -4.5 21.8 7.5 16 17 A V > + 0 0 0 -2,-0.4 5,-3.4 3,-0.1 -1,-0.2 0.202 51.7 93.7-135.4 7.0 -2.9 24.1 4.9 17 18 A K T 5S+ 0 0 93 3,-0.2 674,-0.1 1,-0.2 -2,-0.1 0.822 85.7 43.4 -73.4 -34.5 -6.1 24.7 2.9 18 19 A T T 5S+ 0 0 112 3,-0.1 -1,-0.2 4,-0.1 -2,-0.0 0.888 131.0 7.0 -82.8 -41.5 -7.1 28.0 4.6 19 20 A E T 5S+ 0 0 78 3,-0.0 4,-0.2 -4,-0.0 -2,-0.1 0.826 128.9 33.6-112.8 -47.3 -3.9 30.0 4.9 20 21 A Y T > 5S+ 0 0 28 2,-0.1 3,-1.9 -4,-0.1 4,-0.5 0.960 109.8 52.5 -85.3 -55.3 -0.9 28.4 3.1 21 22 A F G > - 0 0 69 -2,-0.1 4,-2.0 1,-0.1 5,-0.2 -0.234 33.9-101.3 -68.6 168.9 0.3 29.8 -7.8 26 27 A D H > S+ 0 0 87 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.937 124.6 50.5 -57.8 -48.2 -1.9 27.5 -10.0 27 28 A K H > S+ 0 0 104 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.909 109.8 50.0 -57.0 -45.6 1.2 25.7 -11.3 28 29 A E H > S+ 0 0 35 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.862 109.5 52.1 -62.8 -36.2 2.6 25.2 -7.8 29 30 A Q H X S+ 0 0 21 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.898 109.8 48.0 -67.5 -41.9 -0.8 23.7 -6.7 30 31 A K H X S+ 0 0 6 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.922 113.0 48.4 -63.9 -45.2 -0.9 21.2 -9.6 31 32 A Y H X S+ 0 0 4 -4,-2.4 4,-2.1 245,-0.3 5,-0.3 0.941 112.5 48.0 -59.7 -49.4 2.7 20.2 -8.8 32 33 A A H X S+ 0 0 0 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.876 111.1 55.0 -57.7 -37.9 1.9 19.8 -5.1 33 34 A H H X S+ 0 0 12 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.963 110.7 39.7 -61.5 -56.6 -1.2 17.8 -6.1 34 35 A F H X S+ 0 0 24 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.820 113.6 54.1 -70.0 -31.5 0.5 15.1 -8.3 35 36 A M H X S+ 0 0 1 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.852 109.3 51.1 -66.6 -33.5 3.5 14.7 -6.0 36 37 A S H X S+ 0 0 2 -4,-1.6 4,-2.6 -5,-0.3 -2,-0.2 0.910 109.3 48.7 -67.6 -43.7 0.9 14.1 -3.2 37 38 A K H X S+ 0 0 53 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.910 111.4 50.5 -61.7 -43.0 -0.9 11.5 -5.3 38 39 A A H < S+ 0 0 0 -4,-2.4 4,-0.3 2,-0.2 -1,-0.2 0.900 110.4 51.1 -60.4 -41.4 2.5 9.9 -6.0 39 40 A S H >< S+ 0 0 0 -4,-2.0 3,-1.8 1,-0.2 -2,-0.2 0.959 110.1 46.5 -60.9 -53.7 3.2 9.9 -2.3 40 41 A H H >< S+ 0 0 18 -4,-2.6 3,-2.2 1,-0.3 4,-0.3 0.774 97.8 72.4 -63.6 -26.9 -0.0 8.3 -1.3 41 42 A A T 3< S+ 0 0 17 -4,-1.6 -1,-0.3 1,-0.3 3,-0.2 0.675 94.6 56.2 -62.6 -15.6 0.4 5.6 -4.0 42 43 A G T <> S+ 0 0 0 -3,-1.8 4,-1.8 -4,-0.3 3,-0.3 0.317 73.4 104.3 -99.0 7.6 3.1 4.2 -1.8 43 44 A S H <> S+ 0 0 10 -3,-2.2 4,-1.7 1,-0.3 3,-0.2 0.928 82.4 47.7 -54.4 -50.2 1.0 3.7 1.3 44 45 A R H > S+ 0 0 7 -4,-0.3 4,-2.3 -3,-0.2 -1,-0.3 0.811 105.0 61.9 -61.7 -31.0 0.7 -0.1 0.8 45 46 A V H > S+ 0 0 0 -3,-0.3 4,-0.7 2,-0.2 -1,-0.2 0.946 104.0 47.3 -60.3 -49.1 4.5 -0.2 0.2 46 47 A V H >X S+ 0 0 0 -4,-1.8 3,-1.3 1,-0.2 4,-0.7 0.920 109.8 54.2 -57.2 -46.0 5.2 1.1 3.8 47 48 A M H >X S+ 0 0 0 -4,-1.7 4,-1.5 1,-0.3 3,-1.5 0.919 104.8 52.8 -55.4 -47.9 2.7 -1.4 5.2 48 49 A R H 3< S+ 0 0 7 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.659 110.1 51.0 -63.4 -15.9 4.4 -4.4 3.5 49 50 A Q H << S+ 0 0 3 -3,-1.3 132,-0.5 -4,-0.7 -1,-0.3 0.514 105.3 55.4 -98.9 -8.3 7.6 -3.1 5.2 50 51 A V H << S- 0 0 0 -3,-1.5 131,-0.3 -4,-0.7 2,-0.3 0.916 124.5 -26.7 -89.2 -53.8 6.2 -2.8 8.7 51 52 A S >X - 0 0 0 -4,-1.5 3,-1.3 130,-0.1 4,-0.5 -0.970 55.7-112.8-160.3 154.0 4.9 -6.4 9.2 52 53 A H T 34 S+ 0 0 30 -2,-0.3 94,-0.2 1,-0.3 3,-0.2 0.814 117.4 48.7 -60.4 -31.2 3.6 -9.2 7.1 53 54 A E T 3> S+ 0 0 17 1,-0.2 4,-2.8 2,-0.1 -1,-0.3 0.618 89.5 88.6 -82.5 -13.0 0.1 -8.8 8.5 54 55 A S H <> S+ 0 0 0 -3,-1.3 4,-2.1 -7,-0.3 -1,-0.2 0.917 90.1 39.3 -56.3 -55.7 -0.0 -5.1 8.0 55 56 A E H X S+ 0 0 3 -4,-0.5 4,-2.8 2,-0.2 5,-0.2 0.938 115.6 52.7 -62.9 -46.5 -1.4 -4.9 4.4 56 57 A P H > S+ 0 0 1 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.913 109.6 50.0 -51.6 -45.4 -3.8 -7.8 5.0 57 58 A I H X S+ 0 0 0 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.889 108.9 52.7 -60.2 -40.7 -5.1 -5.9 8.1 58 59 A F H X S+ 0 0 1 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.949 110.3 47.0 -58.8 -50.2 -5.5 -2.8 5.9 59 60 A D H X S+ 0 0 3 -4,-2.8 4,-2.9 1,-0.2 -2,-0.2 0.901 111.9 50.7 -59.0 -42.9 -7.6 -4.7 3.4 60 61 A L H X S+ 0 0 0 -4,-2.6 4,-3.0 2,-0.2 5,-0.2 0.916 108.4 51.9 -62.1 -44.3 -9.7 -6.2 6.2 61 62 A I H X S+ 0 0 2 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.921 112.8 45.6 -57.4 -45.6 -10.3 -2.8 7.7 62 63 A L H X S+ 0 0 25 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.923 112.8 50.4 -63.0 -46.2 -11.4 -1.6 4.2 63 64 A A H X S+ 0 0 18 -4,-2.9 4,-2.9 2,-0.2 5,-0.2 0.934 111.1 48.2 -58.2 -49.8 -13.6 -4.6 3.7 64 65 A I H X S+ 0 0 0 -4,-3.0 4,-1.4 1,-0.2 6,-0.2 0.949 113.2 46.9 -55.9 -53.0 -15.3 -4.3 7.0 65 66 A H H <>S+ 0 0 32 -4,-2.2 5,-2.2 -5,-0.2 6,-0.2 0.884 114.7 47.9 -58.3 -41.3 -16.1 -0.6 6.6 66 67 A S H ><5S+ 0 0 91 -4,-2.5 3,-1.3 1,-0.2 -2,-0.2 0.941 112.8 45.6 -65.9 -49.5 -17.4 -1.2 3.0 67 68 A K H 3<5S+ 0 0 124 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.635 114.8 49.4 -72.5 -14.0 -19.6 -4.2 3.9 68 69 A L T ><5S- 0 0 21 -4,-1.4 3,-2.5 -5,-0.2 -1,-0.3 0.362 105.7-127.8-101.7 2.1 -21.0 -2.3 6.9 69 70 A N T < 5 - 0 0 124 -3,-1.3 -3,-0.2 1,-0.3 -4,-0.1 0.822 67.3 -63.7 52.6 33.0 -21.7 0.9 4.9 70 71 A G T 3 > S- 0 0 93 1,-0.1 4,-1.5 4,-0.0 3,-0.8 -0.406 89.6-116.0 -67.3 148.5 -25.9 -1.2 23.7 77 78 A I H 3> S+ 0 0 111 1,-0.3 4,-1.8 2,-0.2 -1,-0.1 0.751 118.5 62.6 -59.0 -22.3 -23.6 1.5 25.2 78 79 A T H 3> S+ 0 0 64 2,-0.2 4,-2.8 1,-0.2 -1,-0.3 0.903 99.5 51.8 -67.6 -42.1 -21.1 -1.4 25.4 79 80 A Q H <> S+ 0 0 62 -3,-0.8 4,-2.5 1,-0.2 -2,-0.2 0.880 107.5 53.5 -60.0 -38.8 -21.2 -1.7 21.6 80 81 A K H X S+ 0 0 110 -4,-1.5 4,-2.4 2,-0.2 -1,-0.2 0.919 110.7 46.1 -61.0 -44.6 -20.5 2.0 21.4 81 82 A Q H X S+ 0 0 117 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.921 113.0 48.7 -64.6 -45.8 -17.4 1.6 23.5 82 83 A Q H X S+ 0 0 25 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.877 111.0 51.5 -62.9 -38.6 -16.2 -1.4 21.6 83 84 A T H X S+ 0 0 17 -4,-2.5 4,-2.7 -10,-0.2 5,-0.2 0.944 109.4 49.4 -61.9 -49.6 -16.7 0.5 18.3 84 85 A G H X S+ 0 0 31 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.917 111.3 49.5 -55.5 -46.4 -14.7 3.4 19.6 85 86 A L H X S+ 0 0 33 -4,-2.4 4,-1.8 1,-0.2 26,-0.4 0.902 110.7 50.5 -60.5 -42.9 -11.9 1.2 20.7 86 87 A Y H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.919 111.5 47.5 -60.8 -45.0 -11.9 -0.6 17.3 87 88 A L H X S+ 0 0 2 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.820 107.0 57.2 -68.4 -31.5 -11.7 2.8 15.5 88 89 A E H X S+ 0 0 30 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.896 108.3 47.0 -64.9 -40.2 -8.9 3.9 17.8 89 90 A Y H X S+ 0 0 0 -4,-1.8 4,-2.9 2,-0.2 -2,-0.2 0.947 112.1 49.9 -63.1 -49.6 -6.9 0.9 16.7 90 91 A V H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.924 110.8 50.8 -53.0 -47.4 -7.7 1.6 13.1 91 92 A S H X S+ 0 0 2 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.942 112.4 44.1 -58.2 -51.6 -6.6 5.2 13.5 92 93 A Q H X S+ 0 0 4 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.890 111.8 54.6 -62.2 -39.4 -3.3 4.3 15.1 93 94 A F H X>S+ 0 0 0 -4,-2.9 5,-2.1 1,-0.2 4,-0.6 0.927 110.9 45.3 -57.6 -46.4 -2.7 1.6 12.5 94 95 A L H <5S+ 0 0 3 -4,-2.6 3,-0.4 1,-0.2 -2,-0.2 0.853 108.6 56.6 -66.5 -35.9 -3.3 4.2 9.7 95 96 A S H <5S+ 0 0 27 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.814 118.8 32.7 -65.2 -30.0 -1.0 6.7 11.5 96 97 A N H <5S- 0 0 15 -4,-1.6 -1,-0.2 2,-0.3 -2,-0.2 0.401 102.3-129.7-104.9 0.0 1.8 4.2 11.4 97 98 A L T <5S+ 0 0 6 -4,-0.6 2,-0.2 -3,-0.4 -47,-0.2 0.916 85.3 32.1 44.7 49.9 0.8 2.5 8.2 98 99 A G S - 0 0 43 5,-2.1 4,-1.9 -2,-0.5 5,-0.4 -0.240 5.2-140.3 -60.5 136.7 4.5 1.6 15.9 102 103 A S T 4 S+ 0 0 33 290,-0.5 2,-1.1 1,-0.2 -1,-0.1 0.782 97.4 67.0 -66.4 -26.3 7.2 3.7 14.2 103 104 A F T 4 S- 0 0 131 1,-0.2 -1,-0.2 289,-0.2 -2,-0.1 -0.687 125.3 -0.8 -96.8 81.1 8.1 5.1 17.6 104 105 A G T 4 S- 0 0 50 -2,-1.1 -2,-0.2 -3,-0.1 -1,-0.2 0.119 91.4-117.6 129.1 -20.0 9.4 2.0 19.3 105 106 A D < + 0 0 37 -4,-1.9 66,-1.7 1,-0.2 2,-0.4 0.868 69.5 137.3 55.2 39.8 9.1 -0.7 16.7 106 107 A T B -D 170 0D 38 -5,-0.4 -5,-2.1 64,-0.2 64,-0.2 -0.942 57.8-111.1-120.4 140.2 6.7 -2.6 18.9 107 108 A K B -C 100 0C 13 62,-2.0 2,-0.4 -2,-0.4 -7,-0.3 -0.372 31.6-162.9 -64.9 139.9 3.5 -4.4 17.9 108 109 A F - 0 0 1 -9,-2.4 -104,-0.3 -2,-0.1 -105,-0.1 -0.971 2.0-160.1-126.5 147.2 0.2 -2.9 19.2 109 110 A I B -a 4 0A 19 -106,-2.7 -104,-2.7 -2,-0.4 53,-0.1 -0.804 28.1 -88.0-124.7 162.0 -3.2 -4.5 19.4 110 111 A P - 0 0 1 0, 0.0 -24,-0.1 0, 0.0 -1,-0.1 -0.291 20.4-146.3 -67.3 152.8 -6.8 -3.4 19.6 111 112 A R S S+ 0 0 93 -26,-0.4 -25,-0.1 -105,-0.1 3,-0.1 0.705 74.6 95.5 -89.4 -24.6 -8.4 -2.8 23.1 112 113 A C S S- 0 0 2 -30,-0.2 5,-0.1 1,-0.1 -30,-0.0 -0.325 94.0 -88.7 -61.9 148.4 -11.8 -4.0 21.9 113 114 A E > - 0 0 119 1,-0.1 4,-2.1 3,-0.0 -1,-0.1 -0.255 24.3-130.6 -59.3 145.1 -12.5 -7.6 22.6 114 115 A V H > S+ 0 0 54 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.873 111.7 59.8 -62.1 -36.5 -11.4 -10.1 20.0 115 116 A K H > S+ 0 0 172 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.905 106.2 46.7 -56.9 -43.0 -14.9 -11.6 20.2 116 117 A F H > S+ 0 0 24 2,-0.2 4,-1.4 1,-0.2 3,-0.3 0.900 108.5 54.9 -65.7 -42.1 -16.2 -8.2 19.2 117 118 A F H >X S+ 0 0 1 -4,-2.1 4,-0.8 1,-0.3 3,-0.6 0.930 109.8 46.5 -57.1 -45.7 -13.7 -7.9 16.3 118 119 A K H 3X S+ 0 0 67 -4,-2.6 4,-1.3 1,-0.2 -1,-0.3 0.700 105.3 61.4 -71.8 -19.2 -15.0 -11.3 15.0 119 120 A Q H 3X S+ 0 0 84 -4,-0.9 4,-2.4 -3,-0.3 -1,-0.2 0.787 94.2 62.8 -74.5 -28.7 -18.5 -10.0 15.4 120 121 A L H S+ 0 0 0 -4,-0.8 5,-2.6 2,-0.2 4,-0.5 0.924 107.3 52.1 -63.1 -45.9 -17.2 -10.1 10.4 122 123 A E H ><5S+ 0 0 129 -4,-1.3 3,-1.0 3,-0.2 -2,-0.2 0.938 112.8 44.2 -55.1 -50.7 -20.6 -11.5 11.3 123 124 A L H 3<5S+ 0 0 81 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.873 116.7 45.5 -63.7 -39.8 -22.3 -8.2 10.7 124 125 A A T 3<5S- 0 0 5 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.429 110.7-125.8 -82.8 1.3 -20.3 -7.5 7.5 125 126 A K T < 5 + 0 0 184 -3,-1.0 2,-0.6 -4,-0.5 -3,-0.2 0.933 52.7 158.3 49.2 52.6 -21.1 -11.1 6.4 126 127 A I < - 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0 0 35 -3,-1.8 4,-2.2 1,-0.1 5,-0.2 -0.553 61.5-140.9 -74.7 130.2 10.5 44.8 20.2 530 531 A K H > S+ 0 0 118 -2,-0.3 4,-2.0 1,-0.2 -1,-0.1 0.893 99.6 44.0 -58.3 -48.8 8.1 47.0 18.4 531 532 A K H > S+ 0 0 80 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.858 109.4 58.2 -68.7 -35.2 9.6 46.7 14.9 532 533 A I H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.959 108.2 46.0 -55.0 -52.3 10.0 43.0 15.3 533 534 A L H <>S+ 0 0 1 -4,-2.2 5,-3.1 1,-0.2 4,-0.4 0.893 110.6 53.3 -59.8 -42.0 6.3 42.7 15.9 534 535 A D H ><5S+ 0 0 67 -4,-2.0 3,-1.5 3,-0.2 -1,-0.2 0.934 107.4 51.6 -56.0 -48.5 5.5 44.9 12.9 535 536 A I H 3<5S+ 0 0 22 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.868 110.4 48.8 -56.9 -38.3 7.7 42.7 10.7 536 537 A F T 3<5S- 0 0 7 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.438 126.3-100.8 -86.6 0.4 5.7 39.6 11.9 537 538 A G T < 5S+ 0 0 38 -3,-1.5 2,-0.7 -4,-0.4 -3,-0.2 0.638 84.4 123.3 95.7 16.5 2.4 41.4 11.2 538 539 A F < + 0 0 24 -5,-3.1 -1,-0.2 1,-0.1 -2,-0.1 -0.842 22.7 154.9-109.8 94.3 1.3 42.5 14.7 539 540 A H + 0 0 129 -2,-0.7 2,-0.3 -5,-0.1 -1,-0.1 0.697 46.9 75.1 -97.3 -25.1 0.9 46.3 14.3 540 541 A D S > S- 0 0 83 1,-0.1 4,-2.2 -6,-0.0 3,-0.2 -0.736 78.3-128.5 -95.6 143.3 -1.6 47.2 17.0 541 542 A V H > S+ 0 0 89 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.811 104.9 57.7 -58.0 -34.0 -0.6 47.4 20.7 542 543 A E H > S+ 0 0 119 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.944 111.1 38.9 -64.2 -50.5 -3.4 45.1 21.8 543 544 A S H > S+ 0 0 13 -3,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.840 114.0 57.5 -70.1 -33.2 -2.5 42.1 19.6 544 545 A Q H X S+ 0 0 8 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.957 105.8 47.7 -58.8 -53.3 1.2 42.8 20.3 545 546 A D H X S+ 0 0 54 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.796 111.0 53.2 -61.2 -30.0 0.8 42.5 24.1 546 547 A K H X S+ 0 0 47 -4,-1.2 4,-2.7 2,-0.2 -1,-0.2 0.902 108.3 48.4 -71.1 -42.9 -1.2 39.3 23.6 547 548 A V H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.923 113.7 48.4 -61.2 -44.5 1.5 37.7 21.4 548 549 A I H X S+ 0 0 4 -4,-2.6 4,-2.3 2,-0.2 5,-0.2 0.953 112.0 48.0 -58.7 -52.5 4.0 38.7 24.1 549 550 A Y H X S+ 0 0 19 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.915 112.4 48.9 -56.3 -46.8 1.9 37.3 26.9 550 551 A A H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.836 108.9 55.3 -62.0 -33.9 1.4 34.1 25.0 551 552 A G H X S+ 0 0 0 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.929 111.7 40.9 -66.5 -47.0 5.1 33.9 24.4 552 553 A Y H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.892 116.8 49.9 -67.0 -41.1 6.1 34.1 28.0 553 554 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.918 111.1 48.8 -64.0 -44.7 3.2 31.8 29.1 554 555 A Q H X S+ 0 0 10 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.851 111.4 50.1 -64.1 -36.5 4.2 29.2 26.5 555 556 A M H X S+ 0 0 6 -4,-1.7 4,-2.3 2,-0.2 30,-0.2 0.912 109.4 50.6 -69.7 -43.1 7.8 29.3 27.6 556 557 A A H X S+ 0 0 0 -4,-2.4 4,-1.1 1,-0.2 -2,-0.2 0.947 113.9 45.6 -56.0 -49.7 6.9 28.9 31.2 557 558 A R H >X S+ 0 0 8 -4,-2.4 4,-2.7 1,-0.2 3,-0.5 0.910 110.5 53.1 -61.5 -44.6 4.7 25.9 30.3 558 559 A A H 3X S+ 0 0 17 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.879 105.9 54.1 -59.5 -39.4 7.4 24.4 28.0 559 560 A G H 3< S+ 0 0 0 -4,-2.3 -1,-0.2 22,-0.3 -2,-0.2 0.784 112.0 44.7 -66.3 -27.9 10.0 24.6 30.9 560 561 A L H X< S+ 0 0 0 -4,-1.1 3,-1.5 -3,-0.5 -2,-0.2 0.873 109.9 52.6 -83.6 -40.8 7.6 22.6 33.1 561 562 A L H >< S+ 0 0 43 -4,-2.7 3,-1.6 1,-0.3 4,-0.2 0.799 97.3 71.4 -61.4 -27.6 6.7 20.1 30.5 562 563 A A G >< S+ 0 0 0 -4,-1.5 3,-2.1 1,-0.3 -1,-0.3 0.717 74.0 83.3 -62.1 -21.9 10.5 19.6 30.1 563 564 A L G X S+ 0 0 0 -3,-1.5 3,-1.5 1,-0.3 -1,-0.3 0.764 77.7 69.5 -56.5 -24.9 10.6 17.9 33.4 564 565 A E G < S+ 0 0 50 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.841 97.4 50.8 -59.6 -33.8 9.5 14.7 31.6 565 566 A Y G < S+ 0 0 78 -3,-2.1 9,-3.2 -4,-0.2 2,-0.5 0.059 92.4 92.3 -99.0 24.2 13.0 14.6 30.0 566 567 A W B < S-S 573 0M 28 -3,-1.5 7,-0.2 7,-0.2 3,-0.0 -0.982 73.1-135.4-117.0 128.8 14.9 15.0 33.2 567 568 A N > - 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