==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-JAN-09 3FVY . COMPND 2 MOLECULE: DIPEPTIDYL-PEPTIDASE 3; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.DONG,E.DOBROVETSKY,A.SEITOVA,B.DUNCAN,L.CROMBET, . 718 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28821.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 495 68.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 60 8.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.6 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 . 30 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 76 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 285 39.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.8 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 3 2 2 1 0 1 3 1 1 2 1 3 3 2 1 0 0 1 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 1 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 0 0 0 PARALLEL BRIDGES PER LADDER . 4 1 0 2 2 0 2 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 5 A Q 0 0 157 0, 0.0 107,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 -41.6 18.1 58.4 11.4 2 6 A Y + 0 0 44 108,-0.1 109,-2.8 2,-0.0 2,-0.3 0.189 360.0 52.7 -94.8 10.2 16.6 61.9 10.9 3 7 A I S S- 0 0 54 107,-0.2 107,-0.0 110,-0.1 88,-0.0 -0.941 84.7-124.0-132.1 158.8 13.3 60.4 11.8 4 8 A L - 0 0 13 107,-0.4 109,-0.2 -2,-0.3 87,-0.1 -0.909 42.0-108.9 -95.7 134.8 12.1 58.3 14.7 5 9 A P > - 0 0 42 0, 0.0 3,-2.2 0, 0.0 -1,-0.0 -0.325 15.3-123.8 -68.5 143.8 10.6 55.0 13.5 6 10 A N T 3 S+ 0 0 41 1,-0.3 84,-0.0 107,-0.1 -2,-0.0 0.820 113.0 49.9 -48.3 -34.4 6.8 54.5 13.7 7 11 A D T 3 S+ 0 0 98 2,-0.0 -1,-0.3 83,-0.0 3,-0.1 0.122 78.8 153.1 -99.0 19.3 7.4 51.3 15.8 8 12 A I < - 0 0 15 -3,-2.2 678,-0.1 1,-0.1 655,-0.1 -0.205 51.2-105.6 -48.2 135.5 9.9 52.9 18.3 9 13 A G - 0 0 3 652,-0.4 655,-2.7 676,-0.1 2,-0.4 -0.306 35.8-164.3 -61.2 147.2 9.8 51.0 21.6 10 14 A V E -a 664 0A 5 653,-0.2 2,-0.3 674,-0.2 655,-0.2 -0.996 8.2-179.3-136.7 134.3 8.1 52.7 24.5 11 15 A S E -a 665 0A 3 653,-2.1 655,-3.1 -2,-0.4 2,-0.5 -0.977 20.1-137.1-128.2 148.2 8.4 51.9 28.3 12 16 A S E -a 666 0A 39 -2,-0.3 655,-0.2 653,-0.2 2,-0.1 -0.910 26.3-119.0-105.1 130.2 6.7 53.4 31.3 13 17 A L - 0 0 4 653,-2.6 2,-0.7 -2,-0.5 392,-0.1 -0.440 23.3-140.1 -62.2 133.1 8.8 54.1 34.4 14 18 A D + 0 0 99 390,-0.3 4,-0.1 -2,-0.1 357,-0.1 -0.889 45.1 142.8-102.6 109.6 7.5 52.1 37.4 15 19 A C > + 0 0 1 -2,-0.7 4,-2.2 357,-0.1 5,-0.2 0.063 36.8 114.6-123.6 22.1 7.7 54.1 40.7 16 20 A R H > S+ 0 0 55 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.937 76.1 38.5 -62.7 -57.2 4.4 52.7 42.1 17 21 A E H > S+ 0 0 83 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.918 117.7 50.1 -62.2 -46.9 5.6 50.8 45.2 18 22 A A H 4 S+ 0 0 1 1,-0.2 4,-0.4 2,-0.2 312,-0.3 0.912 112.3 46.9 -59.5 -45.0 8.2 53.4 46.2 19 23 A F H >< S+ 0 0 8 -4,-2.2 3,-1.1 1,-0.2 -1,-0.2 0.883 108.4 55.8 -66.0 -39.2 5.8 56.3 45.9 20 24 A R H 3< S+ 0 0 102 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.844 105.7 52.2 -60.9 -34.8 3.1 54.4 48.0 21 25 A L T 3< S+ 0 0 74 -4,-1.5 -1,-0.2 -3,-0.2 -2,-0.2 0.504 84.6 108.7 -86.2 -4.5 5.5 53.9 50.9 22 26 A L S < S- 0 0 7 -3,-1.1 307,-0.0 -4,-0.4 -3,-0.0 -0.456 74.8-116.5 -66.0 142.1 6.4 57.6 51.1 23 27 A S > - 0 0 40 -2,-0.1 4,-2.5 1,-0.1 5,-0.2 -0.301 31.8-101.1 -69.2 165.1 5.1 59.4 54.1 24 28 A P H > S+ 0 0 94 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.893 126.3 48.7 -54.5 -40.7 2.6 62.3 53.5 25 29 A T H > S+ 0 0 76 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.893 110.7 47.9 -66.5 -45.9 5.4 64.7 54.1 26 30 A E H > S+ 0 0 41 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.880 110.1 54.6 -65.3 -35.5 7.9 63.0 51.7 27 31 A R H X S+ 0 0 51 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.907 109.9 45.6 -60.2 -44.1 5.1 62.9 49.1 28 32 A L H X S+ 0 0 12 -4,-1.7 4,-2.3 2,-0.2 5,-0.3 0.886 112.0 51.7 -68.0 -41.3 4.6 66.6 49.3 29 33 A Y H X S+ 0 0 4 -4,-2.3 4,-2.3 232,-0.3 5,-0.2 0.960 113.5 44.2 -55.7 -53.8 8.4 67.2 49.2 30 34 A A H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.844 110.7 57.2 -60.5 -38.2 8.6 65.0 46.1 31 35 A Y H X S+ 0 0 15 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.953 111.2 39.3 -57.9 -53.4 5.5 66.8 44.6 32 36 A H H X S+ 0 0 11 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.903 115.8 51.3 -70.8 -40.2 6.9 70.3 44.8 33 37 A L H X S+ 0 0 8 -4,-2.3 4,-2.3 -5,-0.3 -1,-0.2 0.869 109.7 51.6 -61.2 -38.0 10.5 69.2 43.7 34 38 A S H X S+ 0 0 4 -4,-2.1 4,-2.9 -5,-0.2 5,-0.2 0.910 109.3 49.4 -63.7 -44.7 8.9 67.4 40.7 35 39 A R H X S+ 0 0 39 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.942 110.5 50.8 -59.3 -46.5 7.0 70.6 39.7 36 40 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.922 112.9 46.5 -52.8 -49.7 10.2 72.6 40.0 37 41 A A H X S+ 0 0 1 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.932 113.2 46.7 -61.5 -50.8 12.0 70.0 37.7 38 42 A W H X S+ 0 0 16 -4,-2.9 4,-0.8 1,-0.2 -1,-0.2 0.898 112.9 50.2 -64.4 -39.1 9.2 69.9 35.1 39 43 A Y H >< S+ 0 0 5 -4,-2.5 3,-1.0 -5,-0.2 4,-0.4 0.952 113.1 46.2 -58.5 -50.8 9.0 73.7 34.9 40 44 A G H >< S+ 0 0 0 -4,-2.3 3,-1.9 1,-0.2 4,-0.4 0.846 99.9 66.9 -63.1 -38.6 12.7 74.0 34.5 41 45 A G H >< S+ 0 0 2 -4,-2.4 3,-1.2 1,-0.3 4,-0.5 0.758 88.1 70.7 -54.4 -28.0 12.9 71.3 31.8 42 46 A L T XX S+ 0 0 2 -3,-1.0 3,-1.2 -4,-0.8 4,-0.7 0.826 85.5 65.6 -56.5 -34.7 10.9 73.7 29.6 43 47 A A H <> S+ 0 0 0 -3,-1.9 4,-1.6 -4,-0.4 3,-0.3 0.766 85.9 72.7 -59.6 -25.9 14.0 76.0 29.4 44 48 A V H <4 S+ 0 0 0 -3,-1.2 -1,-0.2 -4,-0.4 4,-0.2 0.863 88.3 61.3 -59.2 -35.2 15.7 73.1 27.5 45 49 A L H X> S+ 0 0 0 -3,-1.2 3,-1.4 -4,-0.5 4,-1.3 0.938 106.2 44.7 -52.9 -49.6 13.4 74.0 24.5 46 50 A L H 3< S+ 0 0 10 -4,-0.7 -1,-0.2 -3,-0.3 -2,-0.2 0.838 111.6 54.9 -64.9 -29.4 15.1 77.4 24.4 47 51 A Q T 3< S+ 0 0 6 -4,-1.6 119,-0.4 1,-0.1 -1,-0.3 0.337 108.9 50.7 -85.4 6.9 18.5 75.8 24.8 48 52 A T T <4 S- 0 0 1 -3,-1.4 118,-0.2 1,-0.4 -2,-0.2 0.840 115.0 -20.5-109.2 -65.9 17.9 73.5 21.8 49 53 A S < - 0 0 1 -4,-1.3 -1,-0.4 116,-0.1 3,-0.3 -0.980 55.8-110.5-147.0 157.5 16.8 75.2 18.6 50 54 A P S S+ 0 0 27 0, 0.0 4,-0.3 0, 0.0 -1,-0.1 0.877 119.5 42.5 -53.5 -37.2 15.2 78.5 17.6 51 55 A E S >> S+ 0 0 5 1,-0.2 4,-2.3 2,-0.1 3,-0.8 0.692 89.4 87.4 -87.5 -24.5 12.0 76.6 16.6 52 56 A A H 3> S+ 0 0 0 -3,-0.3 4,-2.6 1,-0.2 5,-0.2 0.857 86.5 52.2 -47.9 -49.3 11.7 74.1 19.5 53 57 A P H 3> S+ 0 0 1 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.885 112.7 45.8 -57.7 -37.7 9.7 76.5 21.8 54 58 A Y H <> S+ 0 0 21 -3,-0.8 4,-2.9 -4,-0.3 -2,-0.2 0.872 110.4 52.7 -70.9 -41.4 7.1 77.2 19.1 55 59 A I H X S+ 0 0 0 -4,-2.3 4,-3.1 2,-0.2 5,-0.3 0.952 111.2 47.7 -57.6 -49.8 6.8 73.5 18.2 56 60 A Y H X S+ 0 0 3 -4,-2.6 4,-2.5 -5,-0.2 -2,-0.2 0.947 112.7 48.6 -54.5 -51.3 6.2 72.7 21.9 57 61 A A H X S+ 0 0 1 -4,-2.4 4,-2.1 -5,-0.2 -2,-0.2 0.920 114.8 45.8 -55.6 -42.8 3.5 75.6 22.0 58 62 A L H X S+ 0 0 1 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.930 114.1 45.7 -70.8 -46.5 1.9 74.3 18.9 59 63 A L H X S+ 0 0 1 -4,-3.1 4,-2.4 1,-0.2 5,-0.2 0.881 112.4 53.4 -60.5 -39.8 1.8 70.6 19.9 60 64 A S H X S+ 0 0 11 -4,-2.5 4,-1.7 -5,-0.3 -2,-0.2 0.901 110.2 45.3 -66.5 -44.3 0.5 71.5 23.3 61 65 A R H X S+ 0 0 41 -4,-2.1 4,-2.0 -5,-0.2 5,-0.2 0.921 112.7 53.2 -59.5 -46.0 -2.4 73.6 22.0 62 66 A L H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.927 113.3 40.3 -56.4 -50.0 -3.2 70.8 19.5 63 67 A F H < S+ 0 0 7 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.732 111.4 57.2 -79.7 -21.8 -3.4 68.0 22.1 64 68 A R H < S+ 0 0 114 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.880 111.6 41.9 -71.3 -39.9 -5.2 70.1 24.7 65 69 A A H < S+ 0 0 22 -4,-2.0 2,-0.3 1,-0.3 -2,-0.2 0.851 132.1 20.9 -76.8 -30.7 -8.0 70.9 22.3 66 70 A Q S < S- 0 0 28 -4,-1.8 -1,-0.3 -5,-0.2 5,-0.1 -0.954 77.1-129.4-141.8 120.0 -8.0 67.2 21.1 67 71 A D >> - 0 0 51 -2,-0.3 4,-2.8 -3,-0.2 3,-0.7 -0.206 41.4-101.8 -46.7 147.7 -6.7 64.0 22.7 68 72 A P H 3> S+ 0 0 5 0, 0.0 4,-0.7 0, 0.0 -1,-0.1 0.775 128.6 52.6 -45.1 -25.3 -4.5 61.9 20.4 69 73 A D H 3> S+ 0 0 57 2,-0.2 4,-0.9 1,-0.1 -2,-0.0 0.825 109.8 44.4 -82.2 -35.7 -7.7 59.8 20.0 70 74 A Q H <> S+ 0 0 121 -3,-0.7 4,-1.2 2,-0.2 -1,-0.1 0.802 113.4 51.1 -74.8 -33.6 -9.9 62.7 19.0 71 75 A L H X S+ 0 0 0 -4,-2.8 4,-3.1 2,-0.2 -2,-0.2 0.787 98.5 70.0 -71.8 -28.3 -7.3 64.1 16.6 72 76 A H H X S+ 0 0 36 -4,-0.7 4,-2.2 -5,-0.4 5,-0.2 0.944 98.7 46.2 -54.1 -53.2 -7.1 60.6 15.1 73 77 A Q H X S+ 0 0 131 -4,-0.9 4,-2.2 1,-0.2 -1,-0.2 0.931 113.2 50.7 -57.8 -45.7 -10.5 60.9 13.5 74 78 A H H X S+ 0 0 31 -4,-1.2 4,-1.6 1,-0.2 -2,-0.2 0.927 108.6 52.3 -54.4 -48.4 -9.7 64.4 12.3 75 79 A A H <>S+ 0 0 0 -4,-3.1 5,-2.3 1,-0.2 -1,-0.2 0.892 110.1 47.1 -57.7 -45.1 -6.4 63.1 10.7 76 80 A L H ><5S+ 0 0 58 -4,-2.2 3,-1.8 1,-0.2 -1,-0.2 0.888 108.1 55.9 -64.6 -39.8 -8.1 60.3 8.8 77 81 A A H 3<5S+ 0 0 85 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.807 105.3 53.3 -61.8 -30.1 -10.8 62.8 7.6 78 82 A E T 3<5S- 0 0 53 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.380 126.8-104.7 -83.6 2.9 -7.9 64.9 6.2 79 83 A G T < 5 + 0 0 44 -3,-1.8 2,-0.3 1,-0.3 -3,-0.2 0.674 67.4 149.7 83.9 17.5 -6.7 61.8 4.3 80 84 A L < - 0 0 7 -5,-2.3 -1,-0.3 38,-0.1 2,-0.1 -0.631 45.6-125.0 -72.0 142.2 -3.7 60.7 6.4 81 85 A T > - 0 0 56 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.407 28.6-104.4 -74.8 163.6 -3.1 57.0 6.4 82 86 A E H > S+ 0 0 96 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.861 124.4 52.1 -56.3 -35.8 -2.9 55.2 9.8 83 87 A E H > S+ 0 0 122 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.887 106.7 50.6 -71.9 -42.4 0.9 55.1 9.4 84 88 A E H > S+ 0 0 33 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.892 111.5 49.6 -59.8 -41.7 1.2 58.8 8.6 85 89 A Y H X S+ 0 0 7 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.915 110.1 49.3 -66.7 -45.2 -0.9 59.6 11.8 86 90 A Q H X S+ 0 0 70 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.869 106.6 58.2 -55.7 -38.4 1.3 57.3 13.9 87 91 A A H X S+ 0 0 3 -4,-2.2 4,-1.9 1,-0.2 26,-0.4 0.880 106.6 47.9 -62.1 -38.6 4.4 59.1 12.4 88 92 A F H X S+ 0 0 2 -4,-1.6 4,-2.6 2,-0.2 -1,-0.2 0.912 111.5 49.2 -64.6 -46.5 3.0 62.4 13.8 89 93 A L H X S+ 0 0 11 -4,-2.0 4,-2.9 2,-0.2 5,-0.2 0.921 111.7 48.7 -61.9 -44.8 2.4 60.9 17.2 90 94 A V H X S+ 0 0 1 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.902 111.2 51.1 -60.9 -41.8 5.9 59.4 17.4 91 95 A Y H X S+ 0 0 3 -4,-1.9 4,-2.5 -5,-0.2 -2,-0.2 0.934 111.8 46.1 -59.1 -50.1 7.3 62.8 16.3 92 96 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.932 111.8 51.2 -59.7 -48.6 5.4 64.7 19.0 93 97 A A H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.874 110.2 51.9 -53.4 -40.3 6.4 62.1 21.7 94 98 A G H X S+ 0 0 0 -4,-2.2 4,-2.1 -5,-0.2 6,-0.2 0.934 108.7 48.6 -65.0 -46.9 10.0 62.6 20.5 95 99 A V H X>S+ 0 0 0 -4,-2.5 5,-2.0 2,-0.2 4,-0.9 0.942 114.5 46.3 -56.1 -48.4 9.8 66.4 20.9 96 100 A Y H ><5S+ 0 0 2 -4,-2.6 3,-0.8 1,-0.2 -2,-0.2 0.947 113.2 48.1 -61.7 -48.6 8.3 66.0 24.4 97 101 A S H 3<5S+ 0 0 28 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.803 120.8 36.3 -70.0 -24.8 10.8 63.4 25.5 98 102 A N H 3<5S- 0 0 15 -4,-2.1 -1,-0.2 2,-0.3 -2,-0.2 0.461 101.6-128.4 -95.1 -5.3 13.9 65.4 24.2 99 103 A M T <<5S+ 0 0 7 -4,-0.9 2,-0.3 -3,-0.8 -3,-0.2 0.931 86.7 29.0 44.9 53.3 12.4 68.8 25.1 100 104 A G S - 0 0 43 5,-2.7 4,-2.0 -2,-0.4 5,-0.3 -0.482 12.9-147.3 -62.3 129.2 17.9 63.6 19.8 104 108 A S T 4 S+ 0 0 44 273,-0.4 2,-0.9 -2,-0.2 -1,-0.2 0.716 94.8 67.9 -70.9 -20.0 19.8 64.0 23.2 105 109 A F T 4 S- 0 0 166 1,-0.1 -1,-0.2 3,-0.1 3,-0.2 -0.824 126.4 -4.1 -97.3 91.7 21.4 60.7 22.1 106 110 A G T 4 S- 0 0 58 -2,-0.9 -2,-0.2 1,-0.1 -1,-0.1 0.122 92.6-115.4 115.3 -21.3 23.5 61.9 19.1 107 111 A D < + 0 0 38 -4,-2.0 50,-2.1 1,-0.2 2,-0.3 0.818 67.1 142.7 58.8 37.0 22.5 65.6 18.8 108 112 A T B -C 156 0C 17 -5,-0.3 -5,-2.7 48,-0.2 48,-0.2 -0.837 53.6-108.0-109.4 143.0 20.9 65.0 15.4 109 113 A K B -B 102 0B 0 46,-2.7 2,-0.4 -2,-0.3 -7,-0.3 -0.334 28.5-158.7 -64.4 145.1 17.8 66.7 14.1 110 114 A F - 0 0 0 -9,-2.3 -107,-0.2 -19,-0.0 -108,-0.1 -0.992 7.6-170.5-124.4 146.2 14.6 64.7 13.8 111 115 A V - 0 0 15 -109,-2.8 -107,-0.4 -2,-0.4 37,-0.2 -0.831 37.1 -81.9-125.7 161.8 11.7 65.6 11.5 112 116 A P - 0 0 6 0, 0.0 2,-1.1 0, 0.0 -24,-0.1 -0.469 34.2-133.5 -68.6 137.6 8.1 64.2 11.2 113 117 A N S S+ 0 0 72 -26,-0.4 -26,-0.1 -109,-0.2 -25,-0.1 -0.425 79.8 74.2 -87.1 51.4 8.0 61.0 8.9 114 118 A L S S- 0 0 14 -2,-1.1 2,-0.1 -27,-0.1 5,-0.0 -0.966 96.0 -76.0-156.1 158.3 5.0 62.3 6.9 115 119 A P >> - 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0 0 31 0, 0.0 3,-2.0 0, 0.0 4,-0.1 -0.230 36.8-113.2 -59.9 153.7 36.5 27.7 50.7 354 361 A P G > S+ 0 0 119 0, 0.0 3,-1.3 0, 0.0 -2,-0.0 0.776 116.7 65.2 -60.9 -25.2 35.6 29.9 53.7 355 362 A T G 3 S+ 0 0 60 1,-0.2 110,-0.1 115,-0.1 4,-0.1 0.661 95.3 57.4 -69.5 -18.3 39.3 30.9 53.9 356 363 A F G < S+ 0 0 0 -3,-2.0 96,-2.5 2,-0.1 2,-0.3 0.319 94.5 90.7 -91.8 4.1 38.8 32.7 50.5 357 364 A E S < S- 0 0 20 -3,-1.3 93,-0.1 94,-0.3 4,-0.0 -0.693 92.3 -89.9 -97.7 152.7 36.0 34.8 52.0 358 365 A K - 0 0 86 -2,-0.3 3,-0.1 91,-0.1 -1,-0.1 -0.334 34.5-120.7 -58.8 140.0 36.4 38.2 53.6 359 366 A D S S+ 0 0 138 1,-0.2 2,-0.3 -4,-0.1 -1,-0.1 0.876 96.9 9.9 -51.0 -43.3 37.0 38.0 57.4 360 367 A K S S- 0 0 125 2,-0.0 2,-0.5 -16,-0.0 -1,-0.2 -0.998 84.1-110.2-140.9 148.5 33.8 40.0 57.9 361 368 A F - 0 0 48 -2,-0.3 2,-0.5 -3,-0.1 89,-0.1 -0.613 28.4-173.4 -78.8 121.9 31.0 41.1 55.7 362 369 A L - 0 0 88 -2,-0.5 3,-0.1 87,-0.3 -4,-0.0 -0.970 31.2-118.2-108.2 130.2 30.8 44.9 54.9 363 370 A T - 0 0 74 -2,-0.5 82,-0.1 1,-0.1 83,-0.1 -0.556 38.4-118.5 -65.6 120.2 27.7 46.0 52.9 364 371 A P - 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0 0 109 -2,-0.4 2,-0.3 -13,-0.2 -14,-0.1 -0.835 2.8-153.4-123.3 156.5 0.3 56.6 35.1 682 689 A Y - 0 0 28 -2,-0.3 -16,-0.1 -16,-0.1 6,-0.1 -0.879 26.9 -94.7-130.6 155.8 0.2 56.4 31.4 683 690 A E - 0 0 113 -2,-0.3 2,-1.6 1,-0.1 9,-0.1 -0.340 40.8-109.7 -70.0 149.8 0.2 53.7 28.7 684 691 A A S S+ 0 0 42 4,-0.1 2,-0.3 -674,-0.1 -674,-0.2 -0.640 83.6 90.3 -82.5 83.8 3.6 52.8 27.1 685 692 A S S > S- 0 0 25 -2,-1.6 4,-2.4 -674,-0.1 5,-0.2 -0.955 92.2 -93.8-164.3 166.1 3.0 54.2 23.7 686 693 A A H > S+ 0 0 4 -2,-0.3 4,-2.3 1,-0.2 5,-0.1 0.924 127.2 50.0 -56.5 -45.3 3.4 57.5 21.7 687 694 A A H > S+ 0 0 12 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.907 109.9 51.7 -60.4 -41.4 -0.1 58.5 22.7 688 695 A G H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.895 109.1 48.4 -60.2 -45.8 0.6 57.7 26.3 689 696 A L H X S+ 0 0 0 -4,-2.4 4,-1.3 2,-0.2 -1,-0.2 0.915 111.5 51.0 -64.3 -42.0 3.8 59.8 26.4 690 697 A I H >X S+ 0 0 0 -4,-2.3 4,-2.5 -5,-0.2 3,-0.7 0.941 110.2 49.1 -56.3 -50.3 1.8 62.7 24.8 691 698 A R H 3X S+ 0 0 61 -4,-2.5 4,-2.0 1,-0.3 -2,-0.2 0.852 103.5 60.8 -58.7 -39.9 -0.9 62.4 27.4 692 699 A S H 3< S+ 0 0 0 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.839 112.1 38.9 -56.5 -36.0 1.7 62.4 30.2 693 700 A F H XX S+ 0 0 19 -4,-1.3 3,-1.2 -3,-0.7 4,-0.6 0.837 109.9 59.2 -82.3 -35.5 2.7 65.9 28.9 694 701 A S H 3< S+ 0 0 56 -4,-2.5 3,-0.2 1,-0.3 -2,-0.2 0.836 115.1 37.9 -56.9 -34.0 -0.9 67.0 28.2 695 702 A E T 3< S+ 0 0 76 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.359 95.2 89.4 -96.6 2.6 -1.6 66.4 31.9 696 703 A R T <4 S+ 0 0 16 -3,-1.2 -1,-0.1 1,-0.3 -2,-0.1 0.799 93.9 32.1 -78.6 -32.0 1.8 67.6 33.3 697 704 A F X + 0 0 19 -4,-0.6 4,-1.9 -3,-0.2 -1,-0.3 -0.575 66.3 156.1-123.7 65.7 0.9 71.3 33.8 698 705 A P T 4 S+ 0 0 85 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.817 73.4 48.2 -66.8 -29.7 -2.8 71.4 34.7 699 706 A E T 4 S+ 0 0 136 1,-0.1 4,-0.1 2,-0.1 -2,-0.1 0.811 132.9 3.6 -76.9 -33.2 -2.6 74.8 36.5 700 707 A D T > S+ 0 0 11 -3,-0.3 4,-2.4 2,-0.1 5,-0.2 0.178 75.2 131.4-150.8 23.2 -0.8 76.9 34.0 701 708 A G H X S+ 0 0 3 -4,-1.9 4,-2.2 1,-0.2 5,-0.2 0.908 83.9 45.9 -46.7 -56.3 0.0 75.0 30.7 702 709 A P H > S+ 0 0 74 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.894 111.5 52.9 -59.9 -37.2 -1.2 77.8 28.4 703 710 A E H > S+ 0 0 104 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.912 109.7 49.5 -59.8 -42.6 0.6 80.4 30.5 704 711 A L H X S+ 0 0 1 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.892 108.8 51.1 -65.1 -41.8 3.9 78.4 30.1 705 712 A E H X S+ 0 0 8 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.910 110.7 49.3 -63.2 -43.8 3.5 78.1 26.3 706 713 A E H X S+ 0 0 112 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.883 111.0 50.2 -60.0 -43.3 3.0 81.9 26.1 707 714 A I H X S+ 0 0 20 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.933 111.7 49.0 -56.4 -49.3 6.1 82.4 28.2 708 715 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.936 113.2 44.2 -60.6 -49.1 8.1 80.1 25.9 709 716 A T H X S+ 0 0 22 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.875 112.5 53.1 -67.8 -34.3 7.0 81.7 22.7 710 717 A Q H X S+ 0 0 113 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.913 111.4 45.2 -63.6 -45.8 7.6 85.2 24.1 711 718 A L H X S+ 0 0 36 -4,-2.3 4,-1.1 2,-0.2 -2,-0.2 0.909 114.4 49.3 -61.5 -46.4 11.1 84.4 25.2 712 719 A A H >X S+ 0 0 8 -4,-2.4 4,-0.7 -5,-0.2 3,-0.6 0.928 111.1 49.8 -55.8 -48.5 11.8 82.7 21.8 713 720 A T H >< S+ 0 0 82 -4,-2.8 3,-0.9 1,-0.2 4,-0.4 0.891 104.1 58.7 -64.0 -38.1 10.4 85.8 19.9 714 721 A A H 3< S+ 0 0 60 -4,-2.2 -1,-0.2 1,-0.2 3,-0.2 0.830 117.1 33.0 -57.9 -34.5 12.6 88.2 21.9 715 722 A D H X< S+ 0 0 15 -4,-1.1 3,-2.2 -3,-0.6 4,-0.3 0.369 85.3 107.7-103.2 3.4 15.7 86.3 20.7 716 723 A A G X< + 0 0 49 -3,-0.9 3,-1.7 -4,-0.7 -1,-0.1 0.817 69.2 66.1 -57.7 -35.5 14.5 85.3 17.2 717 724 A R G 3 S+ 0 0 162 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.713 88.3 69.8 -58.6 -21.6 16.8 87.9 15.4 718 725 A F G < 0 0 17 -3,-2.2 -548,-2.8 -549,-0.1 -547,-0.3 0.654 360.0 360.0 -73.7 -15.2 19.9 86.0 16.6 719 726 A W < 0 0 79 -3,-1.7 -550,-0.0 -4,-0.3 -553,-0.0 -0.514 360.0 360.0-130.5 360.0 19.2 83.0 14.3