==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-OCT-12 4BCB . 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) . 28515.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 481 67.7 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 . 6 0.8 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 . 70 9.9 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 . 104 14.6 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 1 2 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 0 114 0, 0.0 2,-1.5 0, 0.0 667,-0.0 0.000 360.0 360.0 360.0 -34.1 17.2 54.3 59.1 2 2 A L + 0 0 57 1,-0.2 666,-0.0 665,-0.0 51,-0.0 -0.578 360.0 163.3 -81.4 89.3 20.7 53.4 58.0 3 3 A S + 0 0 98 -2,-1.5 2,-0.3 2,-0.0 -1,-0.2 0.179 54.3 64.9 -93.1 13.1 22.0 56.9 57.1 4 4 A F S S- 0 0 48 49,-0.0 2,-0.4 45,-0.0 45,-0.0 -0.841 72.2-130.0-130.5 166.4 25.7 55.9 57.1 5 5 A Q - 0 0 167 -2,-0.3 3,-0.1 3,-0.0 -2,-0.0 -0.937 27.9-112.9-116.9 146.9 28.0 53.6 55.2 6 6 A Y - 0 0 40 -2,-0.4 40,-0.1 1,-0.1 3,-0.1 -0.533 42.9-104.9 -72.5 142.1 30.4 51.1 56.7 7 7 A P - 0 0 32 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.246 32.9-103.9 -69.3 154.7 34.0 52.0 56.2 8 8 A D - 0 0 167 -3,-0.1 2,-0.4 2,-0.0 -3,-0.0 -0.620 41.3-168.3 -74.3 134.0 36.1 50.2 53.6 9 9 A V - 0 0 31 -2,-0.3 -3,-0.0 645,-0.1 19,-0.0 -0.975 21.7-117.5-133.6 123.0 38.4 47.8 55.4 10 10 A Y - 0 0 165 -2,-0.4 2,-0.6 1,-0.1 -2,-0.0 -0.239 21.8-148.3 -62.4 136.9 41.3 46.0 53.8 11 11 A R - 0 0 48 17,-0.1 2,-1.4 18,-0.0 17,-0.2 -0.933 3.9-149.6-108.6 116.7 41.1 42.2 53.7 12 12 A D > - 0 0 43 15,-2.8 3,-1.5 -2,-0.6 14,-0.2 -0.712 17.6-179.1 -82.8 91.9 44.5 40.4 53.8 13 13 A E T 3 S+ 0 0 107 -2,-1.4 -1,-0.2 1,-0.3 15,-0.1 0.537 75.6 65.0 -76.4 -4.1 43.4 37.3 51.8 14 14 A T T 3 S+ 0 0 116 13,-0.1 2,-1.3 12,-0.1 -1,-0.3 0.528 71.5 103.8 -87.6 -10.6 46.9 35.9 52.2 15 15 A A < + 0 0 21 -3,-1.5 11,-2.6 2,-0.0 2,-0.4 -0.633 47.8 148.8 -78.6 92.3 46.5 35.5 56.0 16 16 A I E -A 25 0A 101 -2,-1.3 2,-0.4 9,-0.2 9,-0.2 -0.998 23.4-173.6-133.2 126.9 45.9 31.7 56.2 17 17 A Q E -A 24 0A 74 7,-2.7 7,-2.6 -2,-0.4 2,-0.6 -0.981 20.7-133.3-125.8 136.8 46.9 29.4 59.1 18 18 A D E -A 23 0A 77 -2,-0.4 2,-0.6 5,-0.2 5,-0.2 -0.791 18.4-172.3 -84.7 121.1 46.7 25.6 59.3 19 19 A Y E > S-A 22 0A 14 3,-3.3 3,-2.4 -2,-0.6 584,-0.1 -0.905 74.8 -42.2-113.7 100.2 45.2 24.4 62.6 20 20 A H T 3 S- 0 0 69 -2,-0.6 3,-0.1 1,-0.3 -1,-0.1 0.795 123.3 -41.0 51.4 36.8 45.6 20.6 62.8 21 21 A G T 3 S+ 0 0 57 1,-0.3 2,-0.6 0, 0.0 -1,-0.3 0.266 117.4 111.9 95.8 -8.4 44.6 20.3 59.1 22 22 A H E < -A 19 0A 79 -3,-2.4 -3,-3.3 2,-0.0 2,-0.4 -0.872 62.8-139.9 -99.5 119.5 41.8 22.9 59.3 23 23 A K E -A 18 0A 135 -2,-0.6 2,-0.5 -5,-0.2 -5,-0.2 -0.672 18.7-169.3 -81.4 132.2 42.6 26.0 57.2 24 24 A V E -A 17 0A 11 -7,-2.6 -7,-2.7 -2,-0.4 2,-0.4 -0.987 9.7-151.7-125.4 124.5 41.6 29.3 58.9 25 25 A C E -A 16 0A 75 -2,-0.5 -9,-0.2 -9,-0.2 -12,-0.1 -0.788 11.3-177.2 -92.2 137.6 41.6 32.6 57.1 26 26 A D > + 0 0 13 -11,-2.6 3,-2.1 -2,-0.4 4,-0.2 -0.573 9.0 169.0-132.6 68.2 42.2 35.7 59.2 27 27 A P T 3 S+ 0 0 13 0, 0.0 -15,-2.8 0, 0.0 3,-0.3 0.667 77.2 50.1 -64.3 -16.7 41.9 38.7 56.8 28 28 A Y T > + 0 0 4 -17,-0.2 3,-2.2 1,-0.2 4,-0.2 0.129 69.7 120.6-105.4 25.3 41.8 41.3 59.5 29 29 A A G X + 0 0 19 -3,-2.1 3,-2.0 1,-0.3 -1,-0.2 0.772 63.7 71.5 -56.5 -30.0 44.9 40.0 61.4 30 30 A W G > S+ 0 0 62 -3,-0.3 3,-1.7 1,-0.3 -1,-0.3 0.745 80.9 71.8 -59.6 -23.4 46.5 43.4 60.8 31 31 A L G < S+ 0 0 2 -3,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.542 77.3 81.0 -69.5 -7.7 44.1 44.9 63.4 32 32 A E G < S+ 0 0 41 -3,-2.0 -1,-0.3 -4,-0.2 -2,-0.2 0.610 75.8 80.6 -70.6 -15.2 46.1 43.1 66.0 33 33 A D X - 0 0 78 -3,-1.7 3,-0.9 1,-0.2 6,-0.2 -0.835 60.6-174.4 -95.0 105.2 48.7 45.9 65.9 34 34 A P T 3 S+ 0 0 39 0, 0.0 -1,-0.2 0, 0.0 167,-0.1 0.724 78.8 56.2 -73.3 -14.0 47.2 48.7 68.0 35 35 A D T 3 S+ 0 0 68 4,-0.1 2,-0.1 5,-0.0 166,-0.0 0.508 81.3 107.6 -97.2 -4.8 50.0 51.1 67.0 36 36 A S S <> S- 0 0 18 -3,-0.9 4,-2.4 -6,-0.2 5,-0.2 -0.381 72.9-128.2 -78.0 152.6 49.7 51.1 63.3 37 37 A E H > S+ 0 0 136 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.850 111.7 56.9 -62.0 -34.3 48.3 54.0 61.2 38 38 A Q H > S+ 0 0 127 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.912 109.4 43.3 -63.7 -44.3 46.0 51.4 59.6 39 39 A T H > S+ 0 0 4 -6,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.918 113.8 50.5 -69.8 -44.8 44.5 50.3 62.9 40 40 A K H X S+ 0 0 108 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.905 111.2 49.5 -58.3 -41.8 44.2 53.9 64.2 41 41 A A H X S+ 0 0 60 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.881 109.2 53.1 -66.8 -35.8 42.4 54.9 61.0 42 42 A F H X S+ 0 0 10 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.943 109.8 46.9 -60.8 -49.2 40.1 51.9 61.4 43 43 A V H X S+ 0 0 30 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.921 112.8 49.6 -63.2 -44.2 39.1 52.9 64.9 44 44 A E H X S+ 0 0 131 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.920 111.2 49.1 -59.8 -45.7 38.6 56.6 63.9 45 45 A A H X S+ 0 0 32 -4,-2.4 4,-0.7 1,-0.2 -1,-0.2 0.854 112.3 48.3 -65.9 -35.4 36.4 55.6 60.9 46 46 A Q H >X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 3,-1.0 0.938 111.9 48.1 -67.5 -48.4 34.3 53.3 63.1 47 47 A N H 3X S+ 0 0 24 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.850 102.9 65.3 -61.2 -31.4 33.8 55.9 65.8 48 48 A K H 3< S+ 0 0 166 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.777 111.2 33.9 -63.7 -29.1 32.8 58.4 63.1 49 49 A I H S+ 0 0 74 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.872 111.9 54.6 -63.7 -33.3 26.3 60.2 65.5 53 53 A F H < S+ 0 0 8 -4,-1.2 4,-0.5 1,-0.2 3,-0.4 0.942 112.1 42.8 -63.5 -43.5 24.1 57.2 65.5 54 54 A L H < S+ 0 0 5 -4,-2.5 6,-0.2 1,-0.2 3,-0.2 0.866 119.5 42.8 -69.4 -33.3 24.1 57.1 69.3 55 55 A E H < S+ 0 0 109 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.535 90.0 87.3 -93.4 -6.7 23.6 60.8 69.7 56 56 A Q S < S+ 0 0 120 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.1 0.909 77.9 65.3 -66.2 -43.6 21.0 61.6 67.1 57 57 A C S >> S- 0 0 42 -4,-0.5 3,-1.7 -3,-0.2 4,-0.5 -0.636 81.4-127.2 -92.0 139.6 17.8 60.9 69.1 58 58 A P H 3> S+ 0 0 104 0, 0.0 4,-2.2 0, 0.0 3,-0.4 0.715 99.1 82.9 -46.7 -25.7 16.7 63.0 72.1 59 59 A I H 3> S+ 0 0 18 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.866 84.2 54.9 -52.1 -41.4 16.5 59.7 74.1 60 60 A R H <> S+ 0 0 20 -3,-1.7 4,-3.1 -6,-0.2 -1,-0.2 0.928 110.1 46.6 -61.3 -44.0 20.2 59.7 74.9 61 61 A G H X S+ 0 0 46 -4,-0.5 4,-2.5 -3,-0.4 -1,-0.2 0.887 112.5 50.1 -62.5 -41.3 19.9 63.1 76.4 62 62 A L H X S+ 0 0 76 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.917 113.9 44.8 -64.5 -43.0 16.9 62.1 78.4 63 63 A Y H X S+ 0 0 0 -4,-3.0 4,-3.1 -5,-0.2 5,-0.3 0.939 111.9 52.1 -66.8 -47.0 18.6 59.0 79.7 64 64 A K H X S+ 0 0 73 -4,-3.1 4,-2.5 -5,-0.2 -2,-0.2 0.914 110.2 48.7 -58.5 -44.3 21.8 60.9 80.5 65 65 A E H X S+ 0 0 105 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.933 114.0 45.8 -60.8 -46.7 19.9 63.5 82.5 66 66 A R H X S+ 0 0 51 -4,-2.0 4,-3.0 2,-0.2 5,-0.3 0.895 112.9 50.1 -64.2 -41.1 17.9 60.9 84.5 67 67 A M H X S+ 0 0 5 -4,-3.1 4,-2.8 2,-0.2 5,-0.2 0.923 110.1 51.0 -62.5 -43.3 21.1 58.8 85.1 68 68 A T H < S+ 0 0 48 -4,-2.5 4,-0.4 -5,-0.3 -2,-0.2 0.910 115.3 42.2 -62.0 -42.1 22.9 61.9 86.4 69 69 A E H >< S+ 0 0 105 -4,-2.3 3,-0.7 -5,-0.2 -2,-0.2 0.951 119.7 40.9 -67.9 -52.2 20.1 62.8 88.8 70 70 A L H 3< S+ 0 0 4 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.820 112.2 53.6 -72.6 -31.2 19.4 59.2 90.0 71 71 A Y T 3< S+ 0 0 52 -4,-2.8 2,-2.1 -5,-0.3 -1,-0.2 0.624 84.8 97.2 -75.5 -11.1 23.0 58.1 90.3 72 72 A D < + 0 0 74 -3,-0.7 -1,-0.1 -4,-0.4 22,-0.1 -0.534 55.1 116.8 -83.4 77.9 23.7 61.2 92.5 73 73 A Y S S- 0 0 29 -2,-2.1 2,-0.1 20,-0.3 354,-0.1 -0.974 74.9 -88.2-138.2 152.4 23.4 59.6 95.9 74 74 A P - 0 0 46 0, 0.0 2,-0.5 0, 0.0 18,-0.2 -0.389 40.7-158.4 -66.6 135.3 26.0 59.2 98.6 75 75 A K E -B 91 0B 39 16,-2.7 16,-2.3 -2,-0.1 2,-0.3 -0.970 11.8-176.7-123.2 118.4 28.0 56.0 98.2 76 76 A Y E -B 90 0B 59 -2,-0.5 14,-0.2 14,-0.2 2,-0.2 -0.879 16.9-150.5-115.4 144.0 29.9 54.5 101.2 77 77 A S - 0 0 13 12,-2.5 2,-0.1 -2,-0.3 330,-0.1 -0.583 46.2 -81.0 -87.5 168.1 32.2 51.5 101.8 78 78 A C - 0 0 9 -2,-0.2 11,-0.3 1,-0.1 2,-0.2 -0.403 48.3-109.3 -58.7 145.9 32.3 49.7 105.1 79 79 A H - 0 0 1 9,-0.1 2,-0.3 307,-0.1 9,-0.2 -0.505 37.6-170.0 -65.3 146.7 34.4 51.3 107.9 80 80 A F E -C 87 0B 18 7,-2.4 7,-2.8 -2,-0.2 2,-0.4 -0.985 15.6-134.9-141.0 138.2 37.5 49.4 108.7 81 81 A K E -C 86 0B 73 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.705 19.8-179.6 -87.4 138.5 39.9 50.0 111.6 82 82 A K E > -C 85 0B 44 3,-2.8 3,-1.9 -2,-0.4 2,-0.1 -0.953 64.3 -45.6-135.1 118.2 43.7 50.0 111.0 83 83 A G T 3 S- 0 0 34 51,-0.4 53,-0.2 -2,-0.4 52,-0.0 -0.448 124.8 -18.7 58.5-127.0 45.8 50.5 114.1 84 84 A K T 3 S+ 0 0 152 51,-0.4 2,-0.3 -2,-0.1 -1,-0.2 0.347 125.6 69.2 -92.1 2.5 44.3 53.4 116.1 85 85 A R E < -C 82 0B 21 -3,-1.9 -3,-2.8 51,-0.0 2,-0.4 -0.834 68.4-131.2-125.5 157.6 42.2 54.9 113.3 86 86 A Y E -CD 81 103B 22 17,-2.9 17,-2.3 -2,-0.3 2,-0.3 -0.869 22.8-168.2-105.3 147.5 39.1 54.1 111.2 87 87 A F E +CD 80 102B 0 -7,-2.8 -7,-2.4 -2,-0.4 2,-0.3 -0.910 10.8 163.9-130.5 152.4 39.0 54.4 107.4 88 88 A Y E - D 0 101B 20 13,-1.6 13,-3.1 -2,-0.3 2,-0.3 -0.947 32.0-118.4-160.5 154.1 36.2 54.3 104.8 89 89 A F E + D 0 100B 7 -11,-0.3 -12,-2.5 -2,-0.3 2,-0.3 -0.714 33.8 176.9 -90.7 147.8 35.5 55.2 101.1 90 90 A Y E -BD 76 99B 47 9,-2.0 9,-2.4 -2,-0.3 2,-0.4 -0.981 20.5-169.2-154.1 136.2 32.9 57.8 100.2 91 91 A N E -B 75 0B 10 -16,-2.3 -16,-2.7 -2,-0.3 7,-0.1 -0.999 21.4-144.8-123.0 123.6 31.6 59.4 97.1 92 92 A T - 0 0 72 -2,-0.4 -1,-0.1 -18,-0.2 -16,-0.1 0.768 67.1 -81.9 -60.5 -23.2 29.3 62.4 97.7 93 93 A G S S+ 0 0 0 -18,-0.1 -20,-0.3 -19,-0.1 -1,-0.1 -0.232 115.3 30.8 161.8 -54.8 27.5 61.1 94.6 94 94 A L S S+ 0 0 58 -22,-0.1 593,-0.1 3,-0.0 -22,-0.1 0.223 74.3 133.6-120.7 11.7 29.0 62.1 91.3 95 95 A Q - 0 0 49 1,-0.1 591,-0.3 591,-0.1 3,-0.1 -0.337 62.1-126.4 -56.7 144.6 32.7 62.4 92.1 96 96 A N S S+ 0 0 42 1,-0.2 590,-1.5 589,-0.1 2,-0.4 0.921 93.2 22.3 -63.8 -37.8 34.7 60.6 89.4 97 97 A Q S S- 0 0 20 588,-0.2 20,-0.2 589,-0.1 -1,-0.2 -0.955 86.9-112.7-129.0 142.6 36.5 58.5 92.0 98 98 A R - 0 0 122 -2,-0.4 2,-0.4 -7,-0.1 -7,-0.2 -0.379 36.3-131.1 -68.8 155.2 35.5 57.6 95.6 99 99 A V E -D 90 0B 0 -9,-2.4 -9,-2.0 16,-0.1 2,-0.5 -0.891 6.2-125.8-119.8 139.9 37.7 59.1 98.3 100 100 A L E -DE 89 114B 1 14,-2.6 13,-2.8 -2,-0.4 14,-1.9 -0.782 29.9-167.0 -88.6 124.8 39.4 57.5 101.3 101 101 A Y E -DE 88 112B 35 -13,-3.1 -13,-1.6 -2,-0.5 2,-0.3 -0.747 5.6-155.7-108.5 155.8 38.6 59.2 104.6 102 102 A V E +DE 87 111B 3 9,-2.5 9,-2.6 -2,-0.3 2,-0.3 -0.958 11.8 175.9-128.9 145.3 40.2 58.8 108.0 103 103 A Q E -DE 86 110B 10 -17,-2.3 -17,-2.9 -2,-0.3 7,-0.1 -0.986 32.6-134.5-145.9 153.9 38.9 59.4 111.6 104 104 A D S S+ 0 0 93 5,-0.5 2,-0.3 -2,-0.3 6,-0.1 0.670 89.8 2.5 -84.1 -15.1 40.3 58.8 115.0 105 105 A S S > S- 0 0 53 4,-0.2 3,-0.6 -19,-0.1 -1,-0.2 -0.963 79.2 -99.7-156.9 167.9 37.1 57.2 116.4 106 106 A L T 3 S+ 0 0 55 -2,-0.3 -1,-0.0 1,-0.2 -2,-0.0 0.803 125.8 41.8 -61.4 -30.1 33.7 56.2 115.2 107 107 A E T 3 S+ 0 0 199 2,-0.1 -1,-0.2 -3,-0.0 -3,-0.0 0.602 99.5 105.1 -90.6 -11.8 32.2 59.4 116.7 108 108 A G S < S- 0 0 25 -3,-0.6 2,-0.1 1,-0.1 0, 0.0 -0.190 81.4 -90.0 -79.6 158.7 35.1 61.6 115.5 109 109 A E - 0 0 178 1,-0.1 -5,-0.5 -6,-0.0 2,-0.3 -0.374 44.1-135.1 -59.6 137.9 35.3 64.2 112.7 110 110 A A E -E 103 0B 32 -7,-0.1 2,-0.3 -6,-0.1 -7,-0.2 -0.725 20.4-169.0 -96.9 149.9 36.5 62.6 109.4 111 111 A R E -E 102 0B 102 -9,-2.6 -9,-2.5 -2,-0.3 2,-0.1 -0.970 33.6 -89.7-135.3 155.9 39.1 64.0 107.1 112 112 A V E +E 101 0B 79 -2,-0.3 -11,-0.2 -11,-0.2 3,-0.1 -0.408 40.6 171.9 -61.0 129.9 40.3 63.3 103.6 113 113 A F E S+ 0 0 11 -13,-2.8 2,-0.3 1,-0.3 -12,-0.2 0.788 71.1 1.9-105.2 -50.0 43.1 60.8 103.6 114 114 A L E -E 100 0B 18 -14,-1.9 -14,-2.6 0, 0.0 -1,-0.3 -0.940 61.0-172.7-145.4 119.8 43.6 60.0 99.8 115 115 A D > - 0 0 36 -2,-0.3 3,-1.3 -16,-0.2 4,-0.2 -0.879 4.6-172.9-114.2 97.6 41.6 61.7 97.1 116 116 A P G > S+ 0 0 5 0, 0.0 3,-1.7 0, 0.0 4,-0.2 0.707 76.2 77.4 -64.9 -17.2 42.3 60.2 93.7 117 117 A N G > S+ 0 0 33 1,-0.3 3,-1.1 -20,-0.2 6,-0.3 0.835 87.2 57.8 -60.3 -32.5 40.3 62.9 91.9 118 118 A I G < S+ 0 0 141 -3,-1.3 -1,-0.3 1,-0.2 3,-0.1 0.483 91.7 73.9 -78.1 -2.6 43.1 65.4 92.3 119 119 A L G < S+ 0 0 78 -3,-1.7 2,-0.3 6,-0.2 -1,-0.2 0.498 107.1 15.9 -88.4 -7.4 45.4 63.1 90.4 120 120 A S < - 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0 0 35 -78,-0.4 3,-2.0 -2,-0.2 4,-0.4 -0.961 37.6-103.5-136.6 157.6 9.2 39.0 72.3 545 545 A P G > S+ 0 0 44 0, 0.0 3,-1.6 0, 0.0 27,-0.4 0.870 120.1 53.6 -48.4 -44.3 12.4 38.4 70.2 546 546 A K G 3 S+ 0 0 147 1,-0.3 25,-0.1 25,-0.1 24,-0.0 0.684 114.0 42.7 -66.0 -17.2 12.1 41.9 68.5 547 547 A R G < S+ 0 0 89 -3,-2.0 -79,-2.2 -83,-0.1 2,-0.5 0.272 93.0 106.0-108.3 6.0 12.0 43.6 71.9 548 548 A L E < -b 468 0I 0 -3,-1.6 24,-2.7 -4,-0.4 25,-1.9 -0.820 44.6-173.3-100.6 127.7 14.7 41.5 73.6 549 549 A T E -bc 469 573I 0 -81,-2.8 -79,-3.0 -2,-0.5 2,-0.4 -0.950 6.4-160.2-111.6 133.6 18.2 42.9 74.3 550 550 A I E -bc 470 574I 0 23,-2.2 25,-2.7 -2,-0.4 2,-0.3 -0.913 11.7-178.1-110.3 148.7 21.0 40.7 75.6 551 551 A N E +bc 471 575I 4 -81,-2.1 -79,-1.5 -2,-0.4 2,-0.3 -0.993 11.1 151.6-144.4 142.0 24.1 42.1 77.4 552 552 A G E - c 0 576I 0 23,-1.3 25,-2.5 -2,-0.3 2,-0.4 -0.951 26.7-135.4-163.8 159.7 27.4 40.7 78.8 553 553 A G E > - c 0 577I 15 -81,-0.3 3,-2.7 -2,-0.3 2,-0.4 -0.966 65.3 -25.3-126.2 140.1 30.9 41.8 79.5 554 554 A S T >> S+ 0 0 18 23,-2.5 4,-1.8 -2,-0.4 26,-1.2 -0.511 147.3 10.6 69.3-115.8 34.3 40.1 78.9 555 555 A N H 3> S+ 0 0 0 -2,-0.4 4,-1.7 1,-0.2 -1,-0.3 0.805 135.3 55.2 -55.3 -30.0 33.4 36.4 79.1 556 556 A G H <> S+ 0 0 0 -3,-2.7 4,-2.0 2,-0.2 -2,-0.3 0.687 101.7 56.7 -74.1 -27.5 29.8 37.7 79.0 557 557 A G H <> S+ 0 0 0 -3,-0.6 4,-2.0 20,-0.3 -2,-0.2 0.883 106.2 48.7 -67.3 -43.1 30.8 39.5 75.8 558 558 A L H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 5,-0.3 0.917 110.1 56.1 -52.6 -48.0 31.8 36.2 74.3 559 559 A L H X S+ 0 0 0 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.934 112.0 37.7 -54.0 -53.0 28.4 34.8 75.6 560 560 A V H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.838 115.1 53.5 -75.1 -31.8 26.2 37.4 73.8 561 561 A A H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.914 111.4 46.4 -66.0 -46.3 28.4 37.5 70.6 562 562 A T H X S+ 0 0 1 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.925 110.8 53.0 -61.0 -45.5 28.2 33.7 70.2 563 563 A C H X S+ 0 0 0 -4,-2.2 4,-2.9 -5,-0.3 -2,-0.2 0.883 105.3 54.7 -58.8 -37.5 24.4 33.8 70.9 564 564 A A H < S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.920 112.3 44.0 -61.0 -43.4 24.0 36.4 68.1 565 565 A N H < S+ 0 0 21 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.905 119.5 41.2 -65.1 -43.0 25.7 34.0 65.7 566 566 A Q H < S+ 0 0 62 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.861 132.8 15.9 -79.8 -37.1 23.8 30.9 66.8 567 567 A R >< + 0 0 60 -4,-2.9 3,-1.9 -5,-0.2 4,-0.4 -0.488 63.8 157.9-136.2 64.2 20.3 32.2 67.3 568 568 A P G > S+ 0 0 15 0, 0.0 3,-0.8 0, 0.0 61,-0.1 0.789 76.5 64.1 -59.2 -24.4 20.1 35.6 65.4 569 569 A D G 3 S+ 0 0 67 1,-0.2 -5,-0.1 -3,-0.1 61,-0.0 0.614 94.2 60.5 -71.6 -16.4 16.3 35.0 65.3 570 570 A L G < S+ 0 0 8 -3,-1.9 2,-0.3 -7,-0.2 -1,-0.2 0.609 99.7 55.5 -86.7 -16.8 16.0 35.1 69.2 571 571 A F < - 0 0 8 -3,-0.8 -22,-0.2 -4,-0.4 -25,-0.1 -0.923 47.4-166.9-129.8 142.4 17.2 38.7 69.9 572 572 A G S S+ 0 0 10 -24,-2.7 60,-2.2 -27,-0.4 2,-0.3 0.772 84.6 13.6 -87.4 -34.9 16.4 42.3 68.8 573 573 A C E -cd 549 632I 0 -25,-1.9 -23,-2.2 58,-0.2 2,-0.4 -0.998 59.7-163.9-150.4 142.2 19.6 43.8 70.1 574 574 A V E -cd 550 633I 0 58,-2.4 60,-2.4 -2,-0.3 2,-0.5 -0.993 0.6-170.7-133.4 125.8 22.9 42.7 71.4 575 575 A I E -cd 551 634I 0 -25,-2.7 -23,-1.3 -2,-0.4 2,-0.7 -0.952 8.2-172.8-116.3 109.7 25.4 44.8 73.5 576 576 A A E -cd 552 635I 0 58,-2.0 60,-2.1 -2,-0.5 2,-0.4 -0.904 7.0-160.7-104.9 112.1 28.8 43.0 73.9 577 577 A Q E -cd 553 636I 36 -25,-2.5 -23,-2.5 -2,-0.7 -20,-0.3 -0.803 67.2 -25.8 -95.8 132.1 31.2 44.8 76.3 578 578 A V S S- 0 0 16 58,-3.1 -1,-0.2 -2,-0.4 -21,-0.2 0.766 92.3-175.4 40.4 49.9 35.0 44.1 76.2 579 579 A G - 0 0 0 -3,-0.3 2,-0.8 57,-0.3 -24,-0.2 -0.397 35.1-122.9 -86.8 147.2 34.3 40.7 74.8 580 580 A V + 0 0 2 -26,-1.2 3,-0.1 1,-0.2 -19,-0.1 -0.759 45.0 157.3 -83.7 111.4 36.7 37.8 73.9 581 581 A M + 0 0 0 -2,-0.8 36,-2.6 1,-0.2 2,-1.0 0.724 53.4 65.2-112.2 -32.3 35.9 37.3 70.2 582 582 A D >> + 0 0 0 34,-0.2 4,-1.4 1,-0.1 3,-0.6 -0.801 56.0 174.3 -97.3 92.0 38.9 35.5 68.8 583 583 A M T 34 S+ 0 0 0 -2,-1.0 19,-0.3 1,-0.2 -1,-0.1 0.591 76.6 57.1 -74.6 -14.0 38.9 32.1 70.5 584 584 A L T 34 S+ 0 0 1 1,-0.1 -1,-0.2 17,-0.1 18,-0.2 0.719 119.7 26.7 -84.8 -23.4 41.8 30.8 68.4 585 585 A K T X4 S+ 0 0 17 -3,-0.6 3,-2.4 1,-0.1 4,-0.3 0.459 84.8 104.3-117.9 -4.4 44.2 33.6 69.4 586 586 A F G >< S+ 0 0 1 -4,-1.4 3,-1.0 1,-0.3 6,-0.2 0.770 77.0 61.2 -55.7 -30.0 43.1 34.9 72.9 587 587 A H G 3 S+ 0 0 41 1,-0.2 6,-0.3 -4,-0.1 -1,-0.3 0.598 91.1 69.9 -75.0 -12.0 46.0 33.1 74.7 588 588 A K G < S+ 0 0 96 -3,-2.4 -384,-0.4 4,-0.1 2,-0.3 0.678 90.0 71.0 -76.3 -18.1 48.7 35.1 72.7 589 589 A Y S X S- 0 0 20 -3,-1.0 3,-2.6 -4,-0.3 4,-0.3 -0.804 102.6 -52.8-117.2 143.8 48.0 38.5 74.4 590 590 A T T 3 S- 0 0 1 -388,-2.1 -385,-2.4 -2,-0.3 3,-0.3 -0.013 119.8 -16.3 34.7-115.6 48.6 40.1 77.8 591 591 A I T > S+ 0 0 10 51,-0.5 3,-2.3 52,-0.3 -1,-0.3 0.246 102.5 111.9-100.3 10.3 47.1 37.8 80.5 592 592 A G G X + 0 0 0 -3,-2.6 3,-1.8 1,-0.3 4,-0.3 0.762 63.3 73.8 -60.7 -22.2 44.9 35.7 78.1 593 593 A H G > S+ 0 0 16 -3,-0.3 3,-1.1 -4,-0.3 -1,-0.3 0.823 87.5 64.0 -58.3 -26.2 47.1 32.7 78.7 594 594 A A G X S+ 0 0 6 -3,-2.3 -339,-1.7 1,-0.2 3,-0.6 0.633 90.0 65.8 -71.4 -15.9 45.4 32.4 82.1 595 595 A W G X> S+ 0 0 22 -3,-1.8 4,-2.2 -4,-0.2 3,-1.6 0.479 70.6 93.0 -88.9 -3.5 42.0 31.7 80.5 596 596 A T H <> S+ 0 0 31 -3,-1.1 4,-1.9 1,-0.3 -1,-0.2 0.709 74.1 69.8 -62.9 -19.9 42.9 28.3 79.0 597 597 A T H <4 S+ 0 0 27 -3,-0.6 -1,-0.3 1,-0.2 -2,-0.1 0.789 112.1 29.3 -69.6 -26.0 41.6 26.7 82.2 598 598 A D H <4 S+ 0 0 0 -3,-1.6 -78,-3.2 2,-0.1 -2,-0.2 0.787 136.1 26.1 -94.7 -35.2 38.0 27.7 81.1 599 599 A Y H < S- 0 0 2 -4,-2.2 -3,-0.2 1,-0.3 2,-0.2 0.743 92.1-131.8-102.7 -26.6 38.4 27.7 77.4 600 600 A G < - 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