==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 19-MAR-11 3R5O . COMPND 2 MOLECULE: LACTOPEROXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR N PANDEY,A.K.SINGH,R.P.SINGH,M.SINHA,P.KAUR,S.SHARMA,T.P.SIN . 595 1 7 7 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24989.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 347 58.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 7.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 71 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 159 26.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.4 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 6 2 0 4 4 1 0 2 0 0 1 0 1 0 0 0 0 0 1 0 1 0 0 0 0 0 0 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 . 11 6 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 ANTIPARALLEL BRIDGES PER LADDER . 6 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 1 A S 0 0 139 0, 0.0 2,-0.2 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0-175.5 -21.5 -31.1 35.1 2 2 A W - 0 0 186 173,-0.0 2,-0.6 4,-0.0 0, 0.0 -0.688 360.0 -73.5-122.5 172.3 -24.1 -28.3 35.7 3 3 A E - 0 0 128 -2,-0.2 2,-1.5 1,-0.1 3,-0.3 -0.636 60.7-117.7 -67.9 122.0 -27.9 -28.2 35.6 4 4 A V S S- 0 0 132 -2,-0.6 -1,-0.1 1,-0.2 0, 0.0 -0.427 89.1 -3.2 -76.2 98.4 -28.1 -28.4 31.8 5 5 A G - 0 0 58 -2,-1.5 2,-0.4 1,-0.1 -1,-0.2 0.925 64.3-156.9 84.0 88.5 -29.8 -25.1 31.2 6 6 A a + 0 0 47 -3,-0.3 -1,-0.1 1,-0.1 161,-0.1 -0.752 31.4 157.3 -81.8 139.0 -30.7 -22.8 34.2 7 7 A G + 0 0 37 -2,-0.4 -1,-0.1 159,-0.1 159,-0.0 -0.065 15.2 136.2-166.9 56.3 -33.5 -20.7 32.7 8 8 A A S S+ 0 0 85 1,-0.2 158,-0.0 3,-0.0 -2,-0.0 0.780 81.8 45.9 -77.5 -30.5 -36.0 -19.1 35.1 9 9 A P S S+ 0 0 66 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.734 108.5 59.3 -87.2 -19.2 -36.0 -15.6 33.4 10 10 A V + 0 0 23 1,-0.1 3,-0.1 3,-0.0 30,-0.0 -0.887 56.3 138.2-114.5 104.9 -36.3 -16.9 29.8 11 11 A P + 0 0 108 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.831 44.8 80.9-105.1 -56.1 -39.4 -19.0 29.1 12 12 A L + 0 0 148 1,-0.1 0, 0.0 2,-0.0 0, 0.0 -0.448 39.6 152.3 -67.7 108.8 -41.0 -18.2 25.8 13 13 A V + 0 0 66 -2,-0.6 2,-0.5 -3,-0.1 -1,-0.1 -0.489 16.2 147.7-133.3 61.5 -39.3 -19.9 22.9 14 14 A K - 0 0 146 2,-0.0 2,-0.4 13,-0.0 -2,-0.0 -0.878 27.7-162.3-100.6 127.0 -42.0 -20.3 20.2 15 15 A b - 0 0 29 -2,-0.5 2,-0.6 16,-0.0 13,-0.1 -0.922 20.7-146.8-119.5 134.5 -40.7 -20.2 16.7 16 16 A D - 0 0 85 -2,-0.4 -2,-0.0 1,-0.1 0, 0.0 -0.838 16.9-158.3 -89.1 126.7 -42.4 -19.6 13.3 17 17 A E S S+ 0 0 103 -2,-0.6 -1,-0.1 1,-0.2 14,-0.0 0.774 85.9 52.5 -81.0 -27.5 -40.4 -21.7 10.9 18 18 A N S S+ 0 0 146 2,-0.0 -1,-0.2 0, 0.0 -2,-0.0 0.795 77.8 129.0 -75.1 -22.1 -41.4 -19.9 7.7 19 19 A S - 0 0 39 1,-0.2 4,-0.1 2,-0.0 -4,-0.0 0.085 42.1-166.2 -52.8 129.2 -40.4 -16.5 9.1 20 20 A P + 0 0 70 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.418 65.6 70.3 -91.6 -1.9 -38.0 -14.7 6.7 21 21 A Y S S- 0 0 32 1,-0.0 2,-0.1 277,-0.0 274,-0.1 -0.869 85.4-107.2-121.4 153.3 -37.0 -12.1 9.3 22 22 A R - 0 0 28 -2,-0.3 2,-0.1 272,-0.1 6,-0.1 -0.449 40.1-115.3 -70.1 144.8 -34.9 -12.1 12.4 23 23 A T > - 0 0 49 4,-0.7 3,-1.0 1,-0.1 -1,-0.1 -0.489 21.6-118.3 -76.9 157.3 -36.9 -11.8 15.6 24 24 A I T 3 S+ 0 0 25 1,-0.2 160,-0.2 -2,-0.1 -1,-0.1 0.876 115.6 50.1 -61.8 -37.7 -36.2 -8.7 17.7 25 25 A T T 3 S- 0 0 29 13,-0.1 14,-2.4 1,-0.1 -1,-0.2 0.496 112.7-117.8 -81.5 -3.5 -35.0 -10.8 20.6 26 26 A G X + 0 0 4 -3,-1.0 3,-0.7 1,-0.3 -3,-0.1 0.135 68.6 139.2 88.9 -23.1 -32.6 -12.8 18.4 27 27 A D T 3 + 0 0 21 1,-0.2 -4,-0.7 2,-0.1 -1,-0.3 -0.041 56.1 31.1 -51.5 156.7 -34.5 -16.1 19.2 28 28 A b T 3 S+ 0 0 17 6,-0.3 -1,-0.2 2,-0.3 7,-0.1 0.648 81.0 111.5 65.8 18.9 -35.1 -18.6 16.4 29 29 A N S < S+ 0 0 4 -3,-0.7 2,-0.6 5,-0.7 -2,-0.1 0.916 77.8 49.2 -81.7 -50.0 -31.9 -17.9 14.5 30 30 A N S S- 0 0 3 4,-0.5 -2,-0.3 6,-0.4 -1,-0.2 -0.793 74.1-162.7 -91.0 122.1 -30.5 -21.3 15.4 31 31 A R S S+ 0 0 123 -2,-0.6 -1,-0.2 1,-0.2 4,-0.1 0.885 86.0 47.8 -73.4 -40.3 -33.0 -24.0 14.7 32 32 A R S S+ 0 0 220 1,-0.3 -1,-0.2 301,-0.1 -2,-0.0 0.872 134.5 13.3 -70.3 -39.0 -31.5 -26.8 16.7 33 33 A S S > S- 0 0 57 1,-0.1 3,-1.8 3,-0.1 -1,-0.3 -0.709 75.3-174.3-138.0 89.6 -31.0 -24.6 19.8 34 34 A P T 3 S+ 0 0 34 0, 0.0 -5,-0.7 0, 0.0 -4,-0.5 0.743 74.1 69.0 -59.2 -34.7 -33.0 -21.4 19.2 35 35 A A T > S+ 0 0 21 -8,-0.2 3,-1.4 -7,-0.1 2,-0.5 0.507 71.9 115.5 -70.4 -2.3 -31.9 -19.5 22.3 36 36 A L T < S+ 0 0 36 -3,-1.8 -6,-0.4 1,-0.3 -7,-0.3 -0.567 86.2 7.6 -73.4 119.5 -28.4 -19.2 20.9 37 37 A G T 3 S+ 0 0 1 -2,-0.5 149,-0.6 1,-0.3 2,-0.3 0.684 98.1 139.4 85.0 22.2 -27.6 -15.5 20.2 38 38 A A X - 0 0 7 -3,-1.4 3,-0.8 146,-0.2 -1,-0.3 -0.781 55.5-106.9-103.6 144.3 -30.7 -14.2 21.9 39 39 A A T 3 S+ 0 0 4 -14,-2.4 143,-0.2 -2,-0.3 145,-0.1 -0.153 97.6 31.5 -60.8 157.5 -31.0 -11.2 24.2 40 40 A N T 3 S+ 0 0 53 141,-1.5 2,-0.3 1,-0.2 -1,-0.2 0.644 93.6 109.1 66.6 20.7 -31.4 -11.7 28.0 41 41 A R E < S-A 181 0A 65 140,-0.9 140,-2.5 -3,-0.8 -1,-0.2 -0.744 77.6 -74.6-117.2 168.9 -29.5 -14.9 28.2 42 42 A A E -A 180 0A 28 -2,-0.3 138,-0.2 138,-0.2 2,-0.1 -0.242 45.5-110.9 -64.4 148.5 -26.1 -15.6 29.8 43 43 A L - 0 0 5 136,-2.9 297,-0.2 1,-0.1 2,-0.1 -0.502 45.1-101.3 -73.1 149.1 -22.8 -14.5 28.1 44 44 A A B -b 340 0B 0 295,-2.1 297,-2.4 -2,-0.1 2,-0.7 -0.436 24.5-138.6 -73.9 147.4 -20.9 -17.6 26.9 45 45 A R + 0 0 52 295,-0.2 -1,-0.0 1,-0.2 295,-0.0 -0.928 20.4 178.8-108.4 108.5 -17.9 -18.8 29.0 46 46 A W S S+ 0 0 48 -2,-0.7 -1,-0.2 1,-0.2 -2,-0.0 0.711 83.1 20.5 -75.7 -24.9 -15.1 -19.7 26.6 47 47 A L S S- 0 0 45 -3,-0.1 -1,-0.2 400,-0.0 3,-0.1 -0.988 105.5 -83.3-141.8 146.8 -13.1 -20.6 29.8 48 48 A P - 0 0 104 0, 0.0 -2,-0.1 0, 0.0 2,-0.0 -0.188 53.8-101.7 -50.6 136.2 -14.4 -21.3 33.4 49 49 A A - 0 0 18 1,-0.1 2,-0.7 5,-0.1 397,-0.2 -0.323 30.5-142.3 -60.3 139.1 -15.2 -18.2 35.5 50 50 A E + 0 0 66 395,-3.9 2,-0.3 394,-0.2 9,-0.3 -0.910 30.6 167.8-111.7 104.8 -12.4 -17.5 38.0 51 51 A Y > - 0 0 9 -2,-0.7 3,-0.8 7,-0.1 6,-0.1 -0.902 47.4-117.4-119.6 147.4 -13.8 -16.2 41.2 52 52 A E T 3 S+ 0 0 21 5,-0.9 -1,-0.1 -2,-0.3 7,-0.1 0.895 122.5 24.1 -42.4 -53.7 -12.4 -15.6 44.7 53 53 A D T 3 S- 0 0 75 4,-0.2 -1,-0.3 -3,-0.0 -3,-0.0 0.364 112.5-115.5 -97.2 0.9 -14.8 -18.2 46.1 54 54 A G S < S+ 0 0 42 -3,-0.8 -2,-0.1 3,-0.3 122,-0.1 0.588 100.0 65.5 75.3 10.4 -15.2 -20.0 42.8 55 55 A L S S- 0 0 43 121,-0.1 122,-2.6 2,-0.1 -1,-0.1 0.536 120.1 -36.3-120.2 -87.4 -18.9 -19.1 42.7 56 56 A A S S+ 0 0 20 120,-0.2 389,-0.1 116,-0.1 -4,-0.1 0.606 95.7 107.1-118.4 -19.6 -19.9 -15.4 42.5 57 57 A L - 0 0 42 -6,-0.1 -5,-0.9 1,-0.1 -3,-0.3 -0.282 61.7-129.0 -68.8 147.0 -17.4 -13.3 44.5 58 58 A P > - 0 0 0 0, 0.0 3,-0.8 0, 0.0 4,-0.3 -0.640 27.3-100.8 -93.8 154.6 -14.8 -11.1 42.7 59 59 A F T 3 S+ 0 0 27 383,-0.3 7,-0.1 -9,-0.3 383,-0.1 -0.533 112.1 40.0 -68.8 136.4 -11.1 -11.2 43.4 60 60 A G T 3 S+ 0 0 38 2,-0.4 -1,-0.2 5,-0.3 3,-0.1 0.687 86.4 102.6 93.8 21.6 -10.3 -8.2 45.6 61 61 A W S < S+ 0 0 42 -3,-0.8 2,-0.6 1,-0.3 -2,-0.1 0.797 80.5 43.6-100.4 -44.1 -13.4 -8.6 47.7 62 62 A T S S- 0 0 22 -4,-0.3 -2,-0.4 1,-0.1 -1,-0.3 -0.920 75.4-152.5-105.0 122.5 -11.8 -10.2 50.7 63 63 A Q S S+ 0 0 128 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.894 93.9 50.5 -63.1 -42.2 -8.6 -8.4 51.6 64 64 A R S S+ 0 0 187 -3,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.853 93.3 87.0 -62.8 -38.4 -7.0 -11.5 53.2 65 65 A K - 0 0 103 -3,-0.1 -5,-0.3 1,-0.0 2,-0.2 -0.505 65.9-161.2 -75.4 127.1 -7.7 -13.7 50.2 66 66 A T - 0 0 65 -2,-0.3 2,-0.5 5,-0.1 5,-0.2 -0.492 19.5-126.5-101.3 169.0 -5.0 -13.6 47.5 67 67 A R B > S-C 70 0C 8 3,-3.8 3,-0.9 -2,-0.2 422,-0.1 -0.957 94.4 -18.7-118.3 109.2 -5.0 -14.5 43.8 68 68 A N T 3 S- 0 0 102 -2,-0.5 -1,-0.1 1,-0.2 3,-0.1 0.773 131.8 -48.3 64.5 29.5 -2.0 -16.9 43.2 69 69 A G T 3 S+ 0 0 53 1,-0.3 2,-0.3 0, 0.0 -1,-0.2 0.422 123.2 87.2 95.0 -0.4 -0.3 -15.9 46.4 70 70 A F B < S-C 67 0C 85 -3,-0.9 -3,-3.8 416,-0.0 -1,-0.3 -0.940 77.8-112.1-133.2 153.4 -0.6 -12.2 45.9 71 71 A R - 0 0 162 -2,-0.3 -5,-0.1 -5,-0.2 -8,-0.1 -0.589 38.1-120.3 -78.0 142.3 -3.1 -9.5 46.6 72 72 A V - 0 0 26 -2,-0.2 412,-0.1 1,-0.1 3,-0.1 -0.673 33.0-109.1 -85.4 141.0 -4.6 -8.0 43.5 73 73 A P - 0 0 13 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.274 36.1 -92.7 -67.3 154.8 -4.0 -4.2 43.1 74 74 A L > - 0 0 69 1,-0.1 4,-2.0 68,-0.0 5,-0.2 -0.425 31.6-126.8 -65.0 140.8 -6.8 -1.6 43.4 75 75 A A H > S+ 0 0 2 1,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.894 110.4 47.6 -56.5 -42.5 -8.4 -0.8 40.0 76 76 A R H > S+ 0 0 2 67,-0.5 4,-2.8 2,-0.2 -1,-0.2 0.807 107.5 55.2 -71.9 -30.7 -7.8 2.9 40.5 77 77 A E H > S+ 0 0 51 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.904 109.9 46.8 -68.8 -40.5 -4.1 2.4 41.6 78 78 A V H X>S+ 0 0 0 -4,-2.0 4,-3.0 2,-0.2 5,-1.0 0.941 112.5 52.6 -62.3 -46.7 -3.5 0.5 38.3 79 79 A S H X>S+ 0 0 0 -4,-2.1 5,-2.0 -5,-0.2 4,-0.7 0.936 113.1 41.1 -53.6 -54.6 -5.3 3.3 36.5 80 80 A N H <5S+ 0 0 46 -4,-2.8 -1,-0.2 3,-0.2 -2,-0.2 0.883 119.3 43.9 -62.2 -47.7 -3.2 6.1 38.0 81 81 A K H <5S+ 0 0 111 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.916 135.2 7.4 -64.1 -48.9 0.2 4.3 37.7 82 82 A I H <5S+ 0 0 5 -4,-3.0 330,-0.4 -5,-0.3 -3,-0.2 0.845 124.0 49.4-106.0 -45.8 -0.3 2.9 34.2 83 83 A V T < + 0 0 50 -2,-0.7 3,-0.7 2,-0.1 2,-0.3 0.263 51.7 112.6 -82.8 8.9 -2.4 15.3 24.8 89 89 A E T 3 S+ 0 0 146 1,-0.2 -2,-0.0 2,-0.1 0, 0.0 -0.635 81.5 8.4 -85.9 145.8 0.2 16.3 22.2 90 90 A G T 3 S+ 0 0 73 -2,-0.3 -1,-0.2 1,-0.1 -2,-0.1 0.735 95.9 113.2 59.5 26.7 1.3 13.8 19.6 91 91 A V < + 0 0 2 -3,-0.7 315,-3.1 2,-0.1 2,-0.2 0.533 41.2 107.8-102.0 -11.1 -1.3 11.4 20.6 92 92 A L E S-D 405 0D 74 313,-0.2 2,-0.6 -4,-0.2 313,-0.2 -0.503 73.8-118.4 -76.8 136.2 -3.5 11.4 17.5 93 93 A D E > - 0 0 4 311,-2.8 3,-0.9 -2,-0.2 311,-0.4 -0.618 20.3-152.5 -72.3 115.9 -3.5 8.3 15.2 94 94 A Q E 3 S+ 0 0 135 -2,-0.6 -1,-0.2 1,-0.2 475,-0.1 0.821 89.1 38.3 -62.4 -37.7 -2.2 9.5 11.8 95 95 A N E 3 S+ 0 0 83 473,-0.1 474,-0.5 2,-0.0 2,-0.5 0.333 102.3 77.2-100.4 7.7 -4.1 6.9 9.7 96 96 A R E < -E 568 0E 13 -3,-0.9 308,-1.8 472,-0.3 472,-0.3 -0.968 66.3-141.7-121.7 129.2 -7.4 6.6 11.5 97 97 A S E >> -D 403 0D 0 470,-3.0 3,-1.3 -2,-0.5 4,-0.7 -0.318 33.1-108.7 -73.9 163.9 -10.4 9.0 11.3 98 98 A L H 3> S+ 0 0 5 304,-1.9 4,-2.1 300,-0.3 3,-0.3 0.786 118.1 71.1 -64.2 -25.0 -12.4 9.7 14.5 99 99 A L H 3> S+ 0 0 2 300,-1.6 4,-3.1 467,-0.3 5,-0.3 0.815 87.3 64.9 -58.1 -33.8 -15.2 7.7 12.7 100 100 A F H <> S+ 0 0 0 -3,-1.3 4,-1.6 467,-0.3 -1,-0.2 0.935 105.0 42.8 -55.4 -51.7 -13.0 4.6 13.3 101 101 A M H X S+ 0 0 15 -4,-0.7 4,-1.3 -3,-0.3 3,-0.2 0.962 115.1 51.8 -60.2 -48.1 -13.4 5.0 17.1 102 102 A Q H X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 3,-0.2 0.861 106.7 50.3 -59.2 -41.1 -17.1 5.7 16.6 103 103 A W H X S+ 0 0 3 -4,-3.1 4,-2.8 1,-0.2 5,-0.3 0.865 105.4 58.9 -66.0 -36.4 -18.0 2.7 14.5 104 104 A G H X S+ 0 0 7 -4,-1.6 4,-1.8 -5,-0.3 -1,-0.2 0.863 107.9 45.0 -61.0 -35.5 -16.2 0.5 17.1 105 105 A Q H X S+ 0 0 41 -4,-1.3 4,-2.0 -3,-0.2 -1,-0.2 0.841 112.6 51.9 -76.7 -33.5 -18.6 1.8 19.8 106 106 A I H X S+ 0 0 3 -4,-1.8 4,-1.8 2,-0.2 3,-0.3 0.991 113.4 42.9 -62.0 -61.9 -21.7 1.4 17.5 107 107 A V H X S+ 0 0 0 -4,-2.8 4,-1.6 1,-0.2 3,-0.3 0.912 112.7 54.4 -53.0 -43.6 -20.8 -2.3 16.6 108 108 A D H X S+ 0 0 23 -4,-1.8 4,-2.1 -5,-0.3 3,-0.3 0.923 107.5 49.9 -61.1 -42.2 -19.9 -3.0 20.2 109 109 A H H < S+ 0 0 15 -4,-2.0 -1,-0.3 -3,-0.3 -2,-0.2 0.854 105.4 56.5 -63.8 -35.4 -23.3 -1.8 21.4 110 110 A D H < S+ 0 0 0 -4,-1.8 -1,-0.2 -3,-0.3 -2,-0.2 0.860 115.2 39.1 -64.6 -34.0 -25.1 -3.9 18.8 111 111 A L H < S+ 0 0 0 -4,-1.6 2,-0.4 -3,-0.3 228,-0.2 0.886 117.3 16.5 -88.7 -44.8 -23.5 -7.0 20.2 112 112 A D < + 0 0 7 -4,-2.1 2,-0.3 -5,-0.2 -1,-0.2 -0.978 43.0 163.2-142.1 144.6 -23.2 -6.9 23.9 113 113 A F - 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0 0 1 -3,-1.6 -395,-3.9 1,-0.2 -3,-0.2 0.817 46.2-167.9 49.5 39.8 -14.8 -13.5 37.3 446 446 A M < - 0 0 7 -5,-2.8 -1,-0.2 -397,-0.2 2,-0.1 -0.229 21.1-120.2 -66.2 138.3 -12.3 -13.1 34.5 447 447 A P - 0 0 1 0, 0.0 45,-0.4 0, 0.0 -1,-0.1 -0.500 42.6-100.9 -70.5 149.2 -9.4 -15.5 34.1 448 448 A G > - 0 0 1 40,-0.2 4,-1.5 43,-0.1 3,-0.4 -0.004 38.6 -86.9 -64.8 174.7 -6.1 -13.6 34.3 449 449 A Y H > S+ 0 0 1 41,-2.4 4,-1.5 38,-0.5 39,-0.2 0.824 123.6 48.5 -52.2 -44.2 -3.8 -12.5 31.4 450 450 A N H > S+ 0 0 0 37,-0.3 4,-3.4 2,-0.2 5,-0.3 0.844 103.8 59.6 -71.7 -33.1 -1.8 -15.8 31.0 451 451 A S H > S+ 0 0 44 -3,-0.4 4,-2.0 37,-0.2 -1,-0.2 0.947 112.0 43.0 -55.6 -45.9 -4.9 -18.0 31.0 452 452 A W H X S+ 0 0 3 -4,-1.5 4,-1.2 2,-0.2 -2,-0.2 0.792 111.1 53.1 -71.7 -29.3 -5.9 -15.9 28.0 453 453 A R H <>S+ 0 0 13 -4,-1.5 5,-2.4 2,-0.2 3,-0.4 0.919 111.7 46.7 -69.6 -44.2 -2.4 -16.0 26.5 454 454 A G H ><5S+ 0 0 31 -4,-3.4 3,-1.4 1,-0.2 -2,-0.2 0.889 107.0 59.1 -62.5 -39.1 -2.5 -19.8 26.8 455 455 A F H 3<5S+ 0 0 48 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.821 107.4 46.3 -58.8 -33.2 -6.0 -19.8 25.3 456 456 A f T 3<5S- 0 0 17 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.327 118.9-103.5 -96.0 6.5 -4.7 -18.2 22.1 457 457 A G T < 5S+ 0 0 71 -3,-1.4 2,-0.3 1,-0.3 -3,-0.2 0.873 81.4 126.8 74.2 36.8 -1.6 -20.4 21.6 458 458 A L < - 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0 0 31 -5,-1.3 4,-1.5 -6,-0.2 -2,-0.2 -0.847 54.5-165.5-159.5 116.0 8.6 -2.3 27.0 474 474 A K H > S+ 0 0 148 -2,-0.3 4,-2.3 2,-0.2 5,-0.1 0.974 91.7 42.4 -66.5 -56.7 10.9 -2.4 30.1 475 475 A I H > S+ 0 0 106 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.854 112.9 51.2 -64.0 -36.9 9.1 0.2 32.2 476 476 A L H > S+ 0 0 6 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.963 111.6 49.7 -63.7 -48.2 5.5 -0.9 31.4 477 477 A A H X S+ 0 0 0 -4,-1.5 4,-2.8 1,-0.2 -2,-0.2 0.913 111.4 49.7 -53.8 -46.0 6.5 -4.4 32.4 478 478 A K H X S+ 0 0 121 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.858 110.5 47.5 -63.8 -40.7 8.1 -3.2 35.6 479 479 A K H X S+ 0 0 85 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.947 114.5 47.3 -66.3 -48.9 5.1 -1.1 36.7 480 480 A L H X>S+ 0 0 1 -4,-2.6 4,-3.6 1,-0.2 5,-0.6 0.939 113.7 48.2 -56.7 -49.9 2.7 -4.0 35.9 481 481 A M H X5S+ 0 0 31 -4,-2.8 4,-2.3 -5,-0.2 -1,-0.2 0.917 109.0 52.6 -57.1 -47.5 5.0 -6.5 37.8 482 482 A D H <5S+ 0 0 103 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.839 119.3 37.1 -59.5 -32.6 5.3 -4.2 40.8 483 483 A L H <5S+ 0 0 18 -4,-1.8 -2,-0.2 -3,-0.2 -1,-0.2 0.921 130.8 26.5 -84.6 -55.4 1.5 -4.0 41.0 484 484 A Y H <5S- 0 0 0 -4,-3.6 -3,-0.2 -5,-0.2 -2,-0.2 0.845 82.7-151.3 -74.2 -40.9 0.4 -7.5 40.0 485 485 A K S <> S- 0 0 16 -6,-0.3 3,-1.1 1,-0.1 4,-0.5 -0.922 76.6-129.0-167.3 146.1 2.9 -11.8 38.5 487 487 A P G >4 S+ 0 0 0 0, 0.0 3,-1.8 0, 0.0 -38,-0.5 0.885 105.3 71.9 -61.9 -38.0 1.5 -11.8 35.0 488 488 A D G 34 S+ 0 0 48 1,-0.3 -37,-0.2 -39,-0.2 -40,-0.2 0.752 101.4 45.6 -53.2 -24.7 -0.9 -14.5 36.0 489 489 A N G <4 S+ 0 0 0 -3,-1.1 -1,-0.3 -41,-0.2 2,-0.1 0.611 79.8 118.8 -94.3 -16.6 -2.8 -11.9 37.9 490 490 A I S << S- 0 0 1 -3,-1.8 -41,-2.4 -4,-0.5 -40,-0.1 -0.349 73.3-115.0 -56.8 121.1 -2.8 -9.1 35.3 491 491 A D >> - 0 0 4 -43,-0.2 4,-2.3 -2,-0.1 3,-0.5 -0.334 23.3-120.8 -58.4 133.5 -6.5 -8.3 34.6 492 492 A I H 3> S+ 0 0 3 -45,-0.4 4,-3.4 1,-0.2 5,-0.4 0.841 106.7 59.8 -48.4 -40.7 -7.2 -9.2 30.9 493 493 A W H 3> S+ 0 0 3 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.925 113.7 33.6 -57.7 -50.8 -8.3 -5.6 30.0 494 494 A I H <> S+ 0 0 0 -3,-0.5 4,-0.8 2,-0.2 -1,-0.2 0.773 120.2 53.9 -77.6 -22.6 -5.0 -4.0 30.9 495 495 A G H X S+ 0 0 2 -4,-2.3 4,-0.6 2,-0.2 3,-0.3 0.923 109.7 44.3 -75.3 -45.8 -3.0 -7.0 29.8 496 496 A G H >< S+ 0 0 0 -4,-3.4 3,-0.7 -5,-0.2 12,-0.4 0.898 116.6 47.4 -65.5 -39.2 -4.5 -7.3 26.3 497 497 A N H 3< S+ 0 0 7 -4,-1.5 -1,-0.2 -5,-0.4 -2,-0.2 0.648 99.4 67.7 -78.8 -14.5 -4.2 -3.6 25.7 498 498 A A H 3< S+ 0 0 0 -4,-0.8 -1,-0.2 -3,-0.3 -2,-0.2 0.689 80.4 98.2 -77.4 -19.0 -0.6 -3.4 27.0 499 499 A E S << S- 0 0 3 -3,-0.7 9,-0.2 -4,-0.6 -28,-0.1 -0.466 84.2-105.0 -74.7 139.1 0.7 -5.4 24.0 500 500 A P - 0 0 37 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.228 47.7 -90.0 -58.8 152.5 2.2 -3.6 21.0 501 501 A M - 0 0 57 7,-0.1 7,-0.3 -94,-0.1 3,-0.1 -0.361 37.8-115.0 -70.3 141.2 -0.0 -3.4 17.9 502 502 A V > - 0 0 15 5,-2.9 3,-1.8 1,-0.1 5,-0.1 -0.361 50.0 -78.1 -70.5 151.9 0.1 -6.1 15.2 503 503 A E T 3 S+ 0 0 128 1,-0.3 -184,-1.9 -185,-0.1 -183,-0.3 -0.212 117.2 3.1 -52.6 133.7 1.4 -5.0 11.8 504 504 A R T 3 S+ 0 0 152 -186,-0.2 -1,-0.3 1,-0.2 2,-0.3 0.746 121.0 95.6 62.0 27.3 -1.3 -3.1 9.7 505 505 A G S < S- 0 0 2 -3,-1.8 -188,-0.2 -187,-0.2 -1,-0.2 -0.832 72.5-134.6-143.6 168.6 -3.6 -3.4 12.8 506 506 A R S S+ 0 0 44 -190,-2.6 2,-0.3 -2,-0.3 -189,-0.1 0.250 83.2 50.4-117.7 13.3 -4.8 -1.5 15.8 507 507 A V S S- 0 0 5 -191,-0.7 -5,-2.9 -5,-0.1 -10,-0.1 -0.919 80.5-105.3-139.3 167.5 -4.6 -4.2 18.5 508 508 A G > - 0 0 1 -12,-0.4 4,-2.4 -2,-0.3 5,-0.2 -0.108 43.0 -88.5 -83.0-173.5 -2.0 -6.7 19.8 509 509 A P H > S+ 0 0 42 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.926 123.0 51.3 -62.7 -49.1 -1.8 -10.5 19.3 510 510 A L H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.932 116.1 40.4 -58.0 -46.8 -3.9 -11.5 22.3 511 511 A L H >>S+ 0 0 3 -15,-0.4 4,-3.5 1,-0.2 5,-0.6 0.907 111.2 56.4 -70.5 -38.5 -6.8 -9.1 21.3 512 512 A A H X5S+ 0 0 0 -4,-2.4 4,-1.1 1,-0.2 -1,-0.2 0.812 110.9 47.4 -60.7 -28.9 -6.6 -10.0 17.6 513 513 A f H X5S+ 0 0 2 -4,-1.8 4,-2.7 -5,-0.2 -2,-0.2 0.957 117.7 38.7 -75.4 -53.2 -7.1 -13.6 18.7 514 514 A L H X5S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 5,-0.2 0.966 122.9 41.0 -63.3 -55.4 -10.0 -12.9 21.0 515 515 A L H X5S+ 0 0 2 -4,-3.5 4,-2.2 1,-0.2 5,-0.3 0.954 114.7 57.3 -56.6 -47.7 -11.7 -10.3 18.8 516 516 A G H X< S+ 0 0 17 -4,-1.3 3,-1.2 -5,-0.2 -2,-0.2 0.926 117.6 41.0 -84.1 -49.5 -20.6 -14.2 11.1 524 524 A D H 3< S+ 0 0 25 -4,-3.2 -192,-2.7 1,-0.3 -189,-0.2 0.805 113.8 51.2 -69.2 -29.5 -20.7 -18.1 10.7 525 525 A G T 3< S+ 0 0 0 -4,-2.4 2,-0.8 -5,-0.2 -1,-0.3 0.225 86.1 105.5 -91.7 17.0 -23.4 -18.8 13.3 526 526 A D X - 0 0 0 -3,-1.2 3,-2.0 1,-0.2 6,-0.1 -0.824 49.0-169.8-106.1 104.7 -25.8 -16.3 11.7 527 527 A R T 3 S+ 0 0 36 -2,-0.8 -1,-0.2 1,-0.3 -196,-0.1 0.759 92.2 48.0 -58.7 -25.5 -28.6 -17.8 9.7 528 528 A F T 3 S+ 0 0 20 -3,-0.1 -1,-0.3 7,-0.0 -506,-0.1 0.082 74.4 145.4-106.0 23.2 -29.5 -14.3 8.4 529 529 A W X - 0 0 6 -3,-2.0 3,-1.6 -6,-0.2 6,-0.2 -0.364 60.1-119.1 -58.6 138.8 -26.0 -13.2 7.4 530 530 A W T 3 S+ 0 0 12 1,-0.3 6,-0.4 -229,-0.2 -1,-0.1 0.676 111.7 44.7 -57.8 -20.1 -26.4 -11.0 4.3 531 531 A E T 3 S+ 0 0 75 4,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.488 79.9 116.5-103.3 -8.9 -24.3 -13.3 2.2 532 532 A N S X> S- 0 0 25 -3,-1.6 3,-2.2 -6,-0.1 4,-0.5 -0.471 82.9-101.1 -61.2 122.4 -25.8 -16.6 3.3 533 533 A P B 34 S+r 536 0Q 91 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.196 105.7 21.7 -49.4 131.7 -27.4 -18.0 0.1 534 534 A G T 34 S+ 0 0 75 2,-0.7 3,-0.1 -4,-0.1 -2,-0.1 0.235 97.4 92.7 95.5 -15.6 -31.2 -17.4 0.1 535 535 A V T <4 S+ 0 0 20 -3,-2.2 2,-0.3 -6,-0.2 -5,-0.1 0.973 101.9 11.7 -73.7 -59.4 -31.2 -14.5 2.6 536 536 A F B < S-r 533 0Q 7 -4,-0.5 -2,-0.7 -6,-0.4 2,-0.2 -0.714 96.2 -98.2-109.4 166.5 -31.0 -11.8 -0.1 537 537 A T > - 0 0 65 -2,-0.3 4,-2.4 52,-0.1 5,-0.2 -0.495 34.7-106.8 -82.5 156.5 -31.4 -12.4 -3.9 538 538 A E H > S+ 0 0 107 1,-0.2 4,-0.6 2,-0.2 -1,-0.1 0.842 124.1 43.4 -47.8 -38.9 -28.4 -12.9 -6.1 539 539 A K H >> S+ 0 0 133 2,-0.2 4,-1.4 1,-0.2 3,-0.7 0.898 108.4 55.6 -76.9 -43.9 -29.1 -9.4 -7.5 540 540 A Q H 3> S+ 0 0 21 1,-0.3 4,-2.3 49,-0.2 -2,-0.2 0.857 104.6 56.4 -55.7 -38.8 -29.9 -7.7 -4.1 541 541 A R H 3X S+ 0 0 54 -4,-2.4 4,-1.4 1,-0.2 -1,-0.3 0.797 103.4 52.7 -65.4 -31.1 -26.4 -8.9 -3.0 542 542 A D H << S+ 0 0 92 -3,-0.7 4,-0.2 -4,-0.6 -1,-0.2 0.828 110.6 48.0 -74.5 -30.8 -24.7 -7.1 -5.9 543 543 A S H >< S+ 0 0 16 -4,-1.4 3,-1.1 1,-0.2 -2,-0.2 0.894 112.5 47.9 -73.2 -42.2 -26.6 -3.8 -4.9 544 544 A L H >< S+ 0 0 0 -4,-2.3 3,-2.0 1,-0.2 -2,-0.2 0.787 96.0 73.2 -68.4 -29.1 -25.6 -4.2 -1.2 545 545 A Q T 3< S+ 0 0 82 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.689 93.7 57.6 -59.6 -17.3 -21.9 -4.9 -2.2 546 546 A K T < S+ 0 0 104 -3,-1.1 -1,-0.3 -4,-0.2 -2,-0.2 0.384 76.5 124.4 -96.6 1.4 -21.7 -1.2 -3.0 547 547 A V < + 0 0 9 -3,-2.0 2,-0.3 4,-0.1 37,-0.1 -0.186 32.6 174.2 -63.3 155.5 -22.7 0.4 0.3 548 548 A S > - 0 0 21 35,-0.1 4,-1.6 1,-0.1 17,-0.1 -0.969 44.0-121.3-153.5 163.7 -20.4 2.8 2.1 549 549 A F H > S+ 0 0 8 -2,-0.3 4,-2.2 2,-0.2 5,-0.1 0.834 116.3 59.0 -78.2 -31.3 -20.4 5.1 5.1 550 550 A S H > S+ 0 0 1 14,-0.2 4,-2.6 1,-0.2 3,-0.4 0.975 106.2 48.3 -55.9 -53.3 -19.8 8.0 2.8 551 551 A R H > S+ 0 0 23 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.893 107.7 54.9 -54.6 -43.5 -23.0 7.0 1.0 552 552 A L H X S+ 0 0 2 -4,-1.6 4,-1.2 2,-0.2 -1,-0.3 0.893 111.1 46.3 -58.1 -39.6 -24.8 6.8 4.4 553 553 A I H >X S+ 0 0 2 -4,-2.2 3,-1.0 -3,-0.4 4,-0.6 0.994 114.1 44.8 -67.6 -60.1 -23.6 10.4 5.1 554 554 A g H >< S+ 0 0 16 -4,-2.6 3,-1.0 1,-0.3 -2,-0.2 0.931 114.9 49.8 -47.5 -54.5 -24.6 11.9 1.7 555 555 A D H 3< S+ 0 0 33 -4,-2.9 -1,-0.3 1,-0.2 -2,-0.2 0.767 123.6 29.7 -56.2 -28.4 -28.0 10.1 1.8 556 556 A N H << S+ 0 0 6 -4,-1.2 2,-0.3 -3,-1.0 -1,-0.2 0.051 117.3 42.5-127.8 26.0 -28.8 11.3 5.4 557 557 A T S << S- 0 0 8 -3,-1.0 -336,-0.0 -4,-0.6 0, 0.0 -0.926 81.1-110.1-157.9 166.7 -27.1 14.7 6.0 558 558 A H S S+ 0 0 94 -2,-0.3 2,-0.2 2,-0.0 -4,-0.1 0.377 77.0 119.4 -92.1 4.4 -26.7 17.8 3.9 559 559 A I + 0 0 6 -6,-0.2 -2,-0.2 1,-0.1 3,-0.1 -0.484 36.2 179.0 -64.9 138.0 -23.0 17.3 3.5 560 560 A T + 0 0 79 -2,-0.2 19,-1.8 1,-0.1 2,-0.5 0.320 61.9 71.1-122.2 4.2 -21.9 16.9 -0.2 561 561 A K E +S 578 0R 65 17,-0.2 17,-0.2 18,-0.1 -1,-0.1 -0.943 59.6 149.7-127.7 111.5 -18.2 16.5 0.3 562 562 A V E -S 577 0R 0 15,-2.3 15,-2.2 -2,-0.5 -12,-0.0 -0.942 42.9-107.2-138.8 156.1 -16.9 13.2 1.7 563 563 A P - 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