==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-OCT-12 4BCC . COMPND 2 MOLECULE: PROLYL ENDOPEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR P.VANDERVEKEN,V.FULOP,D.REA,M.GERARD,R.VANELZEN,J.JOOSSENS,J . 710 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28426.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 480 67.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 4.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 162 22.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 1.0 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 . 2 0.3 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 . 68 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 80 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 103 14.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 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 1 0 1 0 0 0 2 0 2 1 0 0 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 2 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 PARALLEL BRIDGES PER LADDER . 1 2 4 5 3 8 1 1 1 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 0 5 2 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 1 A M 0 0 110 0, 0.0 2,-1.3 0, 0.0 667,-0.0 0.000 360.0 360.0 360.0 -38.4 17.1 54.2 59.4 2 2 A L + 0 0 53 1,-0.1 666,-0.0 665,-0.1 51,-0.0 -0.673 360.0 160.0 -91.3 85.2 20.7 53.4 58.2 3 3 A S + 0 0 123 -2,-1.3 2,-0.3 2,-0.1 -1,-0.1 -0.208 54.0 74.4 -97.7 39.3 21.8 56.7 56.6 4 4 A F S S- 0 0 51 49,-0.0 2,-0.4 0, 0.0 45,-0.0 -0.913 72.2-128.7-138.3 168.1 25.5 55.8 56.8 5 5 A Q - 0 0 155 -2,-0.3 3,-0.1 3,-0.0 -2,-0.1 -0.951 25.7-114.7-118.1 142.9 27.9 53.5 55.0 6 6 A Y - 0 0 40 -2,-0.4 40,-0.1 1,-0.1 3,-0.1 -0.517 43.1-104.0 -67.5 143.5 30.2 51.0 56.5 7 7 A P - 0 0 30 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.279 32.5-105.1 -69.0 153.7 33.9 51.9 56.0 8 8 A D - 0 0 156 -3,-0.1 2,-0.5 650,-0.0 650,-0.0 -0.613 40.7-168.2 -76.0 134.8 35.9 50.0 53.4 9 9 A V - 0 0 31 -2,-0.3 -3,-0.0 645,-0.1 -1,-0.0 -0.970 21.7-117.7-135.3 119.4 38.2 47.7 55.3 10 10 A Y - 0 0 164 -2,-0.5 2,-0.6 1,-0.1 -2,-0.0 -0.238 21.9-148.3 -58.8 133.7 41.1 45.9 53.6 11 11 A R - 0 0 47 17,-0.1 2,-1.3 18,-0.0 17,-0.2 -0.930 4.0-149.4-105.7 116.8 41.0 42.1 53.6 12 12 A D > - 0 0 41 15,-2.8 3,-1.5 -2,-0.6 14,-0.3 -0.739 18.1-179.6 -82.2 92.0 44.3 40.2 53.7 13 13 A E T 3 S+ 0 0 106 -2,-1.3 -1,-0.2 1,-0.3 15,-0.1 0.541 75.7 65.5 -76.1 -6.9 43.2 37.2 51.7 14 14 A T T 3 S+ 0 0 117 13,-0.1 2,-1.4 12,-0.1 -1,-0.3 0.557 72.0 102.5 -83.9 -15.0 46.7 35.8 52.1 15 15 A A < + 0 0 21 -3,-1.5 11,-2.6 2,-0.0 2,-0.4 -0.603 48.8 148.3 -75.8 91.1 46.3 35.4 55.9 16 16 A I E -A 25 0A 97 -2,-1.4 2,-0.4 9,-0.2 9,-0.2 -0.995 23.9-173.2-132.4 130.6 45.7 31.6 56.1 17 17 A Q E -A 24 0A 73 7,-2.6 7,-2.7 -2,-0.4 2,-0.6 -0.981 20.3-133.8-127.3 135.8 46.7 29.4 59.0 18 18 A D E -A 23 0A 72 -2,-0.4 2,-0.6 5,-0.2 5,-0.2 -0.809 17.8-171.4 -86.0 121.8 46.5 25.6 59.2 19 19 A Y E > S-A 22 0A 11 3,-3.1 3,-2.3 -2,-0.6 584,-0.1 -0.915 75.3 -41.2-112.8 102.0 45.1 24.4 62.5 20 20 A H T 3 S- 0 0 71 -2,-0.6 3,-0.1 1,-0.3 -1,-0.1 0.808 124.3 -41.2 48.4 37.9 45.5 20.6 62.7 21 21 A G T 3 S+ 0 0 58 1,-0.2 2,-0.6 0, 0.0 -1,-0.3 0.312 117.0 113.2 94.3 -4.8 44.5 20.3 59.0 22 22 A H E < -A 19 0A 74 -3,-2.3 -3,-3.1 2,-0.0 2,-0.4 -0.895 61.8-141.0-100.7 115.8 41.7 22.8 59.2 23 23 A K E -A 18 0A 135 -2,-0.6 2,-0.4 -5,-0.2 -5,-0.2 -0.652 18.9-171.1 -78.6 129.2 42.5 26.0 57.1 24 24 A V E -A 17 0A 11 -7,-2.7 -7,-2.6 -2,-0.4 2,-0.4 -0.989 10.5-151.3-122.2 126.9 41.4 29.2 58.8 25 25 A C E -A 16 0A 74 -2,-0.4 -9,-0.2 -9,-0.2 -12,-0.1 -0.808 10.9-176.0 -95.2 140.0 41.5 32.6 56.9 26 26 A D > + 0 0 11 -11,-2.6 3,-2.1 -2,-0.4 4,-0.2 -0.620 8.9 170.3-134.6 71.0 42.0 35.7 59.1 27 27 A P T 3 S+ 0 0 12 0, 0.0 -15,-2.8 0, 0.0 3,-0.3 0.659 77.6 50.7 -66.4 -16.1 41.7 38.6 56.6 28 28 A Y T > + 0 0 3 -17,-0.2 3,-2.2 1,-0.2 4,-0.2 0.104 69.5 120.7-105.6 24.1 41.6 41.2 59.4 29 29 A A G X + 0 0 19 -3,-2.1 3,-2.1 1,-0.3 -1,-0.2 0.790 63.7 71.8 -55.2 -30.6 44.7 39.9 61.2 30 30 A W G > S+ 0 0 62 -3,-0.3 3,-1.7 1,-0.3 -1,-0.3 0.757 80.9 72.1 -59.4 -26.9 46.3 43.3 60.7 31 31 A L G < S+ 0 0 2 -3,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.570 77.0 81.3 -64.3 -7.9 43.9 44.8 63.3 32 32 A E G < S+ 0 0 42 -3,-2.1 -1,-0.3 -4,-0.2 -2,-0.2 0.631 75.8 80.0 -70.2 -15.3 46.0 43.0 65.9 33 33 A D X - 0 0 79 -3,-1.7 3,-0.9 1,-0.2 6,-0.3 -0.826 60.2-174.8 -96.5 104.9 48.5 45.8 65.7 34 34 A P T 3 S+ 0 0 39 0, 0.0 -1,-0.2 0, 0.0 167,-0.1 0.697 79.2 56.4 -73.4 -16.3 47.1 48.6 67.9 35 35 A D T 3 S+ 0 0 63 4,-0.1 2,-0.1 5,-0.0 166,-0.0 0.522 81.6 108.2 -94.8 -7.0 49.9 51.1 66.9 36 36 A S S <> S- 0 0 18 -3,-0.9 4,-2.4 -6,-0.2 5,-0.2 -0.348 73.0-129.1 -74.0 152.0 49.5 51.0 63.1 37 37 A E H > S+ 0 0 137 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.855 111.3 57.7 -63.7 -32.8 48.2 53.9 61.1 38 38 A Q H > S+ 0 0 126 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.927 108.9 42.7 -62.2 -46.0 45.8 51.3 59.5 39 39 A T H > S+ 0 0 4 -6,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.922 114.0 51.2 -69.2 -42.6 44.3 50.2 62.8 40 40 A K H X S+ 0 0 102 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.915 111.1 48.4 -59.5 -43.2 44.0 53.8 64.0 41 41 A A H X S+ 0 0 61 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.872 109.8 53.3 -67.5 -33.5 42.3 54.8 60.8 42 42 A F H X S+ 0 0 10 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.949 109.9 47.1 -63.4 -48.3 39.9 51.8 61.2 43 43 A V H X S+ 0 0 30 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.922 112.7 49.2 -62.1 -46.7 39.0 52.8 64.7 44 44 A E H X S+ 0 0 128 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.910 111.0 50.1 -59.0 -42.4 38.4 56.5 63.7 45 45 A A H X S+ 0 0 33 -4,-2.3 4,-0.7 1,-0.2 -1,-0.2 0.875 112.5 46.9 -67.0 -36.5 36.2 55.4 60.7 46 46 A Q H >X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 3,-1.0 0.929 112.2 48.4 -68.7 -48.0 34.1 53.1 62.9 47 47 A N H 3X S+ 0 0 24 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.841 103.2 65.0 -60.4 -30.6 33.6 55.7 65.7 48 48 A K H 3< S+ 0 0 160 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.765 111.2 34.2 -66.2 -29.0 32.7 58.3 62.9 49 49 A I H S+ 0 0 73 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.863 111.5 55.5 -69.3 -29.9 26.2 60.1 65.3 53 53 A F H < S+ 0 0 8 -4,-1.2 4,-0.5 2,-0.2 3,-0.3 0.938 113.0 40.6 -61.3 -46.0 24.0 57.1 65.3 54 54 A L H < S+ 0 0 5 -4,-2.4 3,-0.3 1,-0.2 6,-0.2 0.867 119.3 45.2 -70.9 -35.2 23.9 56.9 69.1 55 55 A E H < S+ 0 0 111 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.582 91.5 85.0 -85.9 -10.7 23.6 60.7 69.6 56 56 A Q S < S+ 0 0 127 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.1 0.895 78.0 64.7 -66.1 -44.1 20.9 61.4 66.9 57 57 A C S > S- 0 0 43 -4,-0.5 3,-2.1 -3,-0.3 4,-0.4 -0.699 80.9-129.1 -92.6 134.2 17.7 60.7 68.9 58 58 A P T 3> S+ 0 0 104 0, 0.0 4,-2.0 0, 0.0 3,-0.2 0.633 98.1 82.8 -46.3 -21.6 16.7 62.8 72.0 59 59 A I H 3> S+ 0 0 20 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.869 82.6 58.4 -58.9 -35.7 16.4 59.6 74.0 60 60 A R H <> S+ 0 0 20 -3,-2.1 4,-3.1 -6,-0.2 -1,-0.2 0.946 108.7 44.8 -58.6 -47.5 20.1 59.5 74.7 61 61 A G H > S+ 0 0 43 -4,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.878 112.5 51.6 -64.6 -36.1 20.0 62.9 76.4 62 62 A L H X S+ 0 0 72 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.928 113.6 44.6 -65.0 -42.6 16.8 62.0 78.3 63 63 A Y H X S+ 0 0 1 -4,-3.0 4,-3.1 2,-0.2 5,-0.2 0.937 112.9 50.7 -64.8 -45.7 18.5 58.8 79.5 64 64 A K H X S+ 0 0 73 -4,-3.1 4,-2.7 -5,-0.3 -2,-0.2 0.919 110.3 49.8 -61.2 -43.6 21.7 60.7 80.4 65 65 A E H X S+ 0 0 138 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.927 113.9 44.5 -60.3 -43.8 19.8 63.3 82.4 66 66 A R H X S+ 0 0 45 -4,-2.0 4,-3.0 2,-0.2 5,-0.3 0.877 113.0 51.3 -70.2 -39.6 17.9 60.7 84.4 67 67 A M H X S+ 0 0 5 -4,-3.1 4,-2.8 2,-0.2 5,-0.2 0.945 110.1 49.8 -60.9 -45.4 21.1 58.6 84.9 68 68 A T H < S+ 0 0 47 -4,-2.7 4,-0.4 -5,-0.2 -2,-0.2 0.904 115.8 42.9 -61.6 -40.6 22.9 61.7 86.2 69 69 A E H >< S+ 0 0 111 -4,-2.1 3,-0.6 -5,-0.2 -2,-0.2 0.937 119.2 40.6 -68.5 -51.7 20.0 62.5 88.6 70 70 A L H 3< S+ 0 0 3 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.823 112.6 53.8 -74.8 -28.9 19.3 59.0 89.9 71 71 A Y T 3< S+ 0 0 55 -4,-2.8 2,-2.0 -5,-0.3 -1,-0.2 0.604 84.7 97.0 -76.5 -10.8 23.0 57.9 90.2 72 72 A D < + 0 0 87 -3,-0.6 -1,-0.1 -4,-0.4 22,-0.1 -0.539 55.1 113.8 -84.7 75.7 23.6 61.0 92.3 73 73 A Y S S- 0 0 28 -2,-2.0 354,-0.1 20,-0.3 18,-0.1 -0.975 75.9 -88.1-139.0 152.2 23.3 59.4 95.7 74 74 A P - 0 0 44 0, 0.0 2,-0.5 0, 0.0 18,-0.2 -0.344 39.1-160.0 -67.9 142.1 26.0 59.0 98.4 75 75 A K E -B 91 0B 38 16,-2.5 16,-2.2 -2,-0.0 2,-0.3 -0.981 11.6-178.4-128.6 115.9 28.0 55.8 98.0 76 76 A Y E -B 90 0B 55 -2,-0.5 14,-0.2 14,-0.2 2,-0.2 -0.879 18.2-145.6-111.8 149.4 30.0 54.4 101.0 77 77 A S - 0 0 13 12,-2.5 2,-0.1 -2,-0.3 3,-0.1 -0.585 46.2 -81.1 -86.0 169.0 32.2 51.4 101.6 78 78 A C - 0 0 8 -2,-0.2 11,-0.3 1,-0.1 2,-0.1 -0.405 49.6-108.5 -56.4 144.3 32.3 49.6 105.0 79 79 A H - 0 0 1 9,-0.1 2,-0.3 -2,-0.1 9,-0.2 -0.474 38.0-168.9 -66.2 149.5 34.4 51.2 107.7 80 80 A F E -C 87 0B 18 7,-2.3 7,-2.6 -2,-0.1 2,-0.4 -0.988 15.2-134.6-144.8 135.9 37.6 49.3 108.5 81 81 A K E +C 86 0B 77 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.757 20.5 179.0 -89.7 136.5 39.9 49.8 111.4 82 82 A K E > -C 85 0B 46 3,-2.7 3,-1.8 -2,-0.4 2,-0.2 -0.959 64.2 -45.6-134.4 116.6 43.7 49.9 110.8 83 83 A G T 3 S- 0 0 37 -2,-0.4 53,-0.2 51,-0.4 52,-0.0 -0.472 124.8 -17.3 62.3-125.1 45.9 50.5 113.8 84 84 A K T 3 S+ 0 0 152 51,-0.4 2,-0.3 -2,-0.2 -1,-0.3 0.323 125.3 69.1 -92.7 2.1 44.4 53.4 115.8 85 85 A R E < -C 82 0B 20 -3,-1.8 -3,-2.7 51,-0.0 2,-0.4 -0.855 67.8-130.6-128.4 156.5 42.2 54.8 113.0 86 86 A Y E -CD 81 103B 21 17,-2.8 17,-2.5 -2,-0.3 2,-0.3 -0.849 23.6-170.2-102.8 146.6 39.1 54.0 111.0 87 87 A F E +CD 80 102B 0 -7,-2.6 -7,-2.3 -2,-0.4 2,-0.3 -0.927 9.8 164.5-128.6 154.0 39.0 54.3 107.2 88 88 A Y E - D 0 101B 18 13,-1.6 13,-3.2 -2,-0.3 2,-0.3 -0.955 31.9-118.3-161.4 154.2 36.2 54.2 104.6 89 89 A F E + D 0 100B 5 -11,-0.3 -12,-2.5 -2,-0.3 2,-0.3 -0.723 34.1 176.8 -91.1 148.7 35.5 55.0 101.0 90 90 A Y E -BD 76 99B 48 9,-2.2 9,-2.4 -2,-0.3 2,-0.4 -0.983 20.7-170.0-154.9 138.2 32.9 57.6 100.0 91 91 A N E -B 75 0B 9 -16,-2.2 -16,-2.5 -2,-0.3 7,-0.1 -0.999 22.1-144.1-127.1 123.0 31.6 59.3 96.9 92 92 A T - 0 0 72 -2,-0.4 -1,-0.1 -18,-0.2 -16,-0.1 0.773 67.1 -81.8 -58.8 -25.6 29.2 62.2 97.4 93 93 A G S S+ 0 0 0 -21,-0.1 -20,-0.3 -18,-0.1 -1,-0.1 -0.226 115.7 31.2 162.5 -53.8 27.4 60.9 94.4 94 94 A L S S+ 0 0 56 -22,-0.1 593,-0.1 3,-0.0 -22,-0.1 0.232 73.9 133.5-118.8 14.9 28.9 61.9 91.0 95 95 A Q - 0 0 48 1,-0.1 591,-0.3 591,-0.1 3,-0.1 -0.346 61.8-126.8 -59.8 145.5 32.6 62.2 91.8 96 96 A N S S+ 0 0 42 1,-0.2 590,-1.3 589,-0.2 2,-0.4 0.901 93.5 22.2 -62.6 -37.1 34.7 60.4 89.1 97 97 A Q S S- 0 0 19 588,-0.2 20,-0.2 589,-0.1 -1,-0.2 -0.972 86.9-113.1-130.0 140.3 36.5 58.3 91.8 98 98 A R - 0 0 124 -2,-0.4 2,-0.4 -7,-0.1 -7,-0.2 -0.367 35.5-131.2 -66.4 153.8 35.5 57.4 95.4 99 99 A V E -D 90 0B 0 -9,-2.4 -9,-2.2 16,-0.1 2,-0.5 -0.892 6.8-126.0-116.5 140.5 37.7 59.0 98.0 100 100 A L E -DE 89 114B 0 14,-2.8 13,-3.0 -2,-0.4 14,-2.0 -0.779 30.0-167.6 -89.1 125.1 39.4 57.3 101.0 101 101 A Y E -DE 88 112B 36 -13,-3.2 -13,-1.6 -2,-0.5 2,-0.3 -0.726 5.7-156.4-110.4 158.3 38.6 59.0 104.4 102 102 A V E +DE 87 111B 2 9,-2.4 9,-2.7 -2,-0.3 2,-0.3 -0.976 10.7 177.6-133.5 144.0 40.1 58.6 107.8 103 103 A Q E -DE 86 110B 10 -17,-2.5 -17,-2.8 -2,-0.3 7,-0.1 -0.988 32.5-133.8-144.5 154.2 38.8 59.3 111.3 104 104 A D S S+ 0 0 93 5,-0.5 2,-0.3 -2,-0.3 6,-0.1 0.668 91.0 0.9 -83.4 -15.3 40.3 58.8 114.8 105 105 A S S > S- 0 0 53 4,-0.1 3,-1.1 -19,-0.1 -1,-0.2 -0.953 79.3-100.6-158.6 163.1 37.1 57.2 116.1 106 106 A L T 3 S+ 0 0 54 -2,-0.3 4,-0.1 1,-0.2 -1,-0.0 0.797 125.7 43.1 -56.0 -32.8 33.6 56.2 114.8 107 107 A E T 3 S+ 0 0 195 2,-0.1 -1,-0.2 -3,-0.0 2,-0.1 0.519 100.6 100.9 -92.0 -4.6 32.2 59.3 116.4 108 108 A G S < S- 0 0 25 -3,-1.1 2,-0.1 1,-0.1 0, 0.0 -0.251 83.6 -84.9 -88.0 163.9 35.0 61.6 115.3 109 109 A E - 0 0 177 1,-0.1 -5,-0.5 -2,-0.1 2,-0.3 -0.431 44.4-137.0 -66.5 135.6 35.4 64.1 112.4 110 110 A A E -E 103 0B 31 -7,-0.1 2,-0.3 -2,-0.1 -7,-0.2 -0.681 19.6-169.6 -92.9 147.7 36.4 62.5 109.1 111 111 A R E -E 102 0B 102 -9,-2.7 -9,-2.4 -2,-0.3 2,-0.1 -0.976 33.4 -92.1-132.9 156.6 39.0 63.9 106.8 112 112 A V E +E 101 0B 76 -2,-0.3 -11,-0.2 -11,-0.2 3,-0.1 -0.412 40.5 171.5 -62.4 132.9 40.2 63.2 103.3 113 113 A F E S+ 0 0 11 -13,-3.0 2,-0.4 1,-0.3 -12,-0.2 0.775 71.1 5.2-109.4 -49.7 43.1 60.7 103.3 114 114 A L E -E 100 0B 14 -14,-2.0 -14,-2.8 0, 0.0 -1,-0.3 -0.954 61.2-175.3-142.7 120.3 43.5 59.9 99.6 115 115 A D > - 0 0 37 -2,-0.4 3,-1.4 -16,-0.2 4,-0.2 -0.874 4.7-173.3-117.1 96.1 41.6 61.6 96.9 116 116 A P G > S+ 0 0 4 0, 0.0 3,-1.8 0, 0.0 4,-0.2 0.709 75.9 77.2 -64.6 -17.8 42.3 60.0 93.5 117 117 A N G > S+ 0 0 32 1,-0.3 3,-1.1 -20,-0.2 6,-0.3 0.818 86.8 59.0 -60.7 -31.9 40.2 62.7 91.7 118 118 A I G < S+ 0 0 139 -3,-1.4 -1,-0.3 1,-0.2 3,-0.1 0.515 91.1 74.2 -76.2 -0.6 43.0 65.2 92.1 119 119 A L G < S+ 0 0 75 -3,-1.8 2,-0.3 6,-0.2 -1,-0.2 0.501 107.0 13.5 -89.8 -7.8 45.4 62.9 90.1 120 120 A S < - 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0 0 36 -78,-0.4 3,-2.2 -2,-0.2 4,-0.5 -0.953 37.7-103.9-137.2 155.6 9.1 38.9 72.2 545 545 A P G >4 S+ 0 0 46 0, 0.0 3,-1.6 0, 0.0 27,-0.5 0.882 120.1 53.0 -49.6 -43.7 12.3 38.3 70.1 546 546 A K G 34 S+ 0 0 151 1,-0.3 25,-0.1 25,-0.1 24,-0.0 0.629 113.7 43.8 -67.8 -13.6 12.0 41.7 68.4 547 547 A R G <4 S+ 0 0 91 -3,-2.2 -79,-2.1 -81,-0.1 2,-0.5 0.297 93.2 104.7-109.2 4.1 11.8 43.5 71.8 548 548 A L E << -b 468 0I 0 -3,-1.6 24,-2.5 -4,-0.5 25,-2.0 -0.804 45.5-173.2 -97.7 125.7 14.6 41.4 73.4 549 549 A T E -bc 469 573I 0 -81,-2.6 -79,-3.0 -2,-0.5 2,-0.4 -0.941 7.1-159.4-107.5 135.0 18.1 42.8 74.1 550 550 A I E -bc 470 574I 0 23,-2.4 25,-2.6 -2,-0.4 2,-0.3 -0.909 12.3-178.5-112.2 148.4 20.9 40.6 75.4 551 551 A N E +bc 471 575I 0 -81,-2.1 -79,-1.5 -2,-0.4 2,-0.3 -0.997 11.6 151.3-144.4 142.4 24.0 41.9 77.2 552 552 A G E - c 0 576I 0 23,-1.3 25,-2.5 -2,-0.3 2,-0.4 -0.947 27.2-135.9-162.7 160.4 27.2 40.6 78.7 553 553 A G E > - c 0 577I 15 -81,-0.3 3,-2.8 -2,-0.3 2,-0.4 -0.951 66.0 -23.3-125.2 141.3 30.8 41.7 79.3 554 554 A S T >> S+ 0 0 20 23,-2.6 4,-1.9 -2,-0.4 26,-1.3 -0.450 146.7 9.2 69.7-118.0 34.2 40.0 78.7 555 555 A N H 3> S+ 0 0 0 -2,-0.4 4,-1.8 1,-0.2 -1,-0.3 0.803 135.6 55.2 -61.0 -25.6 33.3 36.3 78.9 556 556 A G H <> S+ 0 0 0 -3,-2.8 4,-2.0 2,-0.2 -2,-0.3 0.709 101.8 56.7 -76.6 -23.7 29.7 37.6 78.8 557 557 A G H <> S+ 0 0 0 -3,-0.5 4,-2.1 20,-0.3 -2,-0.2 0.886 106.6 48.6 -70.9 -41.9 30.6 39.4 75.6 558 558 A L H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 5,-0.3 0.924 109.8 55.8 -55.4 -47.6 31.7 36.1 74.1 559 559 A L H X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.938 111.8 38.5 -51.9 -55.4 28.3 34.7 75.4 560 560 A V H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.842 115.5 52.8 -73.4 -30.9 26.1 37.3 73.6 561 561 A A H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.913 111.1 46.3 -68.1 -46.7 28.2 37.3 70.4 562 562 A T H X S+ 0 0 1 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.926 111.3 52.7 -60.2 -42.7 28.0 33.6 70.1 563 563 A C H X S+ 0 0 0 -4,-2.2 4,-2.9 -5,-0.3 -2,-0.2 0.894 105.7 54.8 -61.5 -38.2 24.3 33.7 70.8 564 564 A A H < S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.916 112.1 43.9 -59.2 -44.3 23.8 36.3 68.0 565 565 A N H < S+ 0 0 21 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.894 119.6 41.0 -64.6 -43.0 25.6 33.9 65.5 566 566 A Q H < S+ 0 0 64 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.843 132.6 16.4 -81.3 -35.6 23.7 30.7 66.7 567 567 A R >< + 0 0 59 -4,-2.9 3,-1.9 -5,-0.2 4,-0.4 -0.486 63.7 156.9-137.6 65.3 20.1 32.1 67.1 568 568 A P G > S+ 0 0 15 0, 0.0 3,-0.9 0, 0.0 61,-0.1 0.800 75.8 64.3 -61.9 -24.6 19.9 35.5 65.3 569 569 A D G 3 S+ 0 0 66 1,-0.2 -5,-0.1 -3,-0.1 -23,-0.1 0.617 94.6 60.6 -70.9 -15.3 16.1 34.9 65.2 570 570 A L G < S+ 0 0 7 -3,-1.9 2,-0.4 -7,-0.2 -1,-0.2 0.597 100.4 53.9 -88.5 -16.8 15.8 35.0 69.0 571 571 A F < - 0 0 8 -3,-0.9 -22,-0.2 -4,-0.4 -25,-0.1 -0.940 46.8-168.1-130.7 143.3 17.1 38.6 69.7 572 572 A G S S+ 0 0 9 -24,-2.5 60,-2.1 -27,-0.5 2,-0.3 0.737 84.0 18.3 -91.8 -32.7 16.3 42.1 68.5 573 573 A C E -cd 549 632I 0 -25,-2.0 -23,-2.4 58,-0.2 2,-0.4 -0.999 59.2-166.4-146.6 143.5 19.4 43.7 70.0 574 574 A V E -cd 550 633I 0 58,-2.5 60,-2.5 -2,-0.3 2,-0.5 -0.988 0.8-172.3-135.7 123.8 22.8 42.6 71.3 575 575 A I E -cd 551 634I 0 -25,-2.6 -23,-1.3 -2,-0.4 2,-0.6 -0.957 8.1-174.7-115.2 111.7 25.3 44.7 73.3 576 576 A A E -cd 552 635I 0 58,-2.1 60,-2.1 -2,-0.5 2,-0.5 -0.924 8.1-160.1-109.3 112.6 28.7 42.9 73.8 577 577 A Q E -cd 553 636I 29 -25,-2.5 -23,-2.6 -2,-0.6 -20,-0.3 -0.834 67.9 -24.4 -95.1 133.8 31.0 44.8 76.1 578 578 A V S S- 0 0 18 58,-3.4 -1,-0.2 -2,-0.5 -21,-0.2 0.774 91.7-171.4 39.1 54.2 34.8 44.1 75.9 579 579 A G - 0 0 0 -3,-0.2 2,-0.9 57,-0.2 -24,-0.2 -0.323 33.3-125.2 -86.4 148.3 34.2 40.6 74.5 580 580 A V + 0 0 2 -26,-1.3 3,-0.1 1,-0.2 -1,-0.1 -0.781 46.4 156.1 -86.4 109.9 36.5 37.7 73.8 581 581 A M + 0 0 0 -2,-0.9 36,-2.5 1,-0.2 2,-1.0 0.718 51.5 65.6-112.6 -32.4 35.7 37.1 70.1 582 582 A D >> + 0 0 0 34,-0.2 4,-1.3 1,-0.1 3,-0.7 -0.788 55.8 174.0 -97.1 92.4 38.8 35.4 68.7 583 583 A M T 34 S+ 0 0 0 -2,-1.0 19,-0.3 1,-0.2 -1,-0.1 0.589 75.5 57.6 -73.3 -14.8 38.8 32.1 70.4 584 584 A L T 34 S+ 0 0 0 1,-0.1 -1,-0.2 17,-0.1 18,-0.2 0.735 119.8 25.8 -83.3 -23.6 41.6 30.7 68.3 585 585 A K T X4 S+ 0 0 17 -3,-0.7 3,-2.3 1,-0.1 4,-0.3 0.461 84.9 105.2-119.4 0.1 44.1 33.5 69.3 586 586 A F G >< S+ 0 0 1 -4,-1.3 3,-1.1 1,-0.3 6,-0.2 0.773 77.2 60.9 -58.0 -30.1 43.0 34.8 72.7 587 587 A H G 3 S+ 0 0 25 1,-0.2 6,-0.3 -4,-0.1 -1,-0.3 0.632 90.9 69.7 -76.1 -12.1 45.9 33.0 74.5 588 588 A K G < S+ 0 0 89 -3,-2.3 -384,-0.4 4,-0.1 2,-0.3 0.650 89.8 72.1 -76.7 -17.3 48.6 35.0 72.5 589 589 A Y S X S- 0 0 20 -3,-1.1 3,-2.6 -4,-0.3 4,-0.3 -0.821 102.3 -53.5-117.4 143.3 47.9 38.4 74.2 590 590 A T T 3 S- 0 0 1 -388,-2.1 -385,-2.4 -2,-0.3 3,-0.3 -0.003 119.9 -15.6 35.8-114.0 48.6 40.0 77.6 591 591 A I T > S+ 0 0 9 51,-0.6 3,-2.4 52,-0.3 -1,-0.3 0.313 102.5 111.0-101.2 11.1 47.0 37.7 80.3 592 592 A G G X + 0 0 0 -3,-2.6 3,-2.0 1,-0.3 4,-0.3 0.752 62.9 74.4 -60.0 -23.0 44.8 35.6 77.9 593 593 A H G > S+ 0 0 15 -3,-0.3 3,-1.0 -6,-0.3 -1,-0.3 0.809 88.3 63.3 -58.0 -25.2 47.1 32.5 78.5 594 594 A A G X S+ 0 0 6 -3,-2.4 -339,-1.4 1,-0.2 3,-0.7 0.636 90.4 66.2 -75.2 -13.9 45.4 32.3 81.9 595 595 A W G X> S+ 0 0 23 -3,-2.0 4,-2.2 -4,-0.3 3,-1.7 0.524 70.7 92.5 -89.0 -4.0 41.9 31.7 80.4 596 596 A T H <> S+ 0 0 32 -3,-1.0 4,-1.9 1,-0.3 -1,-0.2 0.694 73.4 70.3 -64.1 -19.1 42.7 28.3 78.8 597 597 A T H <4 S+ 0 0 26 -3,-0.7 -1,-0.3 1,-0.2 -2,-0.1 0.786 111.8 29.5 -69.1 -24.8 41.4 26.6 82.0 598 598 A D H <4 S+ 0 0 0 -3,-1.7 -78,-3.0 2,-0.1 -2,-0.2 0.766 136.6 26.1 -95.2 -36.1 37.9 27.7 81.0 599 599 A Y H < S- 0 0 2 -4,-2.2 -3,-0.2 1,-0.2 -2,-0.2 0.745 92.2-132.2-100.4 -26.3 38.3 27.6 77.3 600 600 A G < - 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