==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 25-DEC-08 3FNL . COMPND 2 MOLECULE: LACTOPEROXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BUBALUS BUBALIS; . AUTHOR I.A.SHEIKH,G.VIKRAM,N.SINGH,M.SINHA,A.BHUSHAN,S.SHARMA,P.KAU . 595 1 7 7 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25830.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 348 58.5 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 . 44 7.4 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 . 4 0.7 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 . 1 0.2 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 . 28 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 157 26.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 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 7 1 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 4 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 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 0 170 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 109.4 1.9 -33.5 34.4 2 2 A W - 0 0 212 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.336 360.0-118.3-118.6 -4.1 2.3 -29.8 33.3 3 3 A E > + 0 0 158 1,-0.1 3,-1.1 2,-0.0 172,-0.0 0.418 62.6 165.0 67.0 1.5 -0.2 -28.0 35.6 4 4 A V T 3 + 0 0 112 1,-0.2 -1,-0.1 3,-0.0 0, 0.0 0.463 42.1 70.8 -20.7 -31.6 -1.2 -27.4 32.0 5 5 A G T 3 + 0 0 67 2,-0.0 -1,-0.2 1,-0.0 -2,-0.0 0.860 50.1 119.7 -69.0 -43.5 -4.9 -26.2 32.7 6 6 A a < + 0 0 78 -3,-1.1 161,-0.1 1,-0.2 160,-0.0 0.071 21.7 136.9 -39.2 94.9 -4.9 -22.6 34.2 7 7 A G + 0 0 47 159,-0.1 3,-0.2 34,-0.1 -1,-0.2 -0.406 35.6 129.0-130.5 48.3 -6.8 -20.7 31.6 8 8 A A + 0 0 46 1,-0.2 159,-0.1 3,-0.0 158,-0.0 0.386 57.2 25.6 -83.6-151.0 -8.9 -18.9 34.3 9 9 A P S S+ 0 0 101 0, 0.0 -1,-0.2 0, 0.0 158,-0.1 0.141 94.3 104.8 -15.1 83.1 -9.3 -15.0 34.6 10 10 A V S S- 0 0 34 -3,-0.2 2,-0.4 156,-0.1 30,-0.1 -0.890 79.0 -96.2-164.6 150.8 -8.8 -14.2 30.8 11 11 A P - 0 0 39 0, 0.0 2,-0.4 0, 0.0 -3,-0.0 -0.659 45.4-174.5 -83.8 129.0 -11.4 -13.3 28.2 12 12 A L + 0 0 142 -2,-0.4 2,-0.2 15,-0.0 23,-0.0 -0.953 13.6 153.0-128.6 141.8 -12.7 -16.2 26.1 13 13 A V - 0 0 107 -2,-0.4 2,-0.4 0, 0.0 0, 0.0 -0.686 43.3 -76.0-140.7-160.5 -15.0 -16.7 23.0 14 14 A K - 0 0 198 -2,-0.2 2,-0.5 13,-0.1 13,-0.0 -0.846 44.9-103.6-117.0 144.3 -15.5 -19.0 20.1 15 15 A b - 0 0 46 -2,-0.4 13,-0.1 1,-0.2 -1,-0.0 -0.488 13.6-148.0 -76.1 115.3 -13.5 -19.3 16.9 16 16 A D - 0 0 127 -2,-0.5 -1,-0.2 2,-0.1 12,-0.0 0.789 36.5-152.4 -46.6 -30.8 -15.1 -17.7 13.8 17 17 A E S S+ 0 0 136 1,-0.2 11,-0.0 2,-0.1 -3,-0.0 0.879 71.5 16.4 55.4 111.2 -13.3 -20.5 11.9 18 18 A N S S+ 0 0 139 1,-0.3 -1,-0.2 2,-0.0 -2,-0.1 0.301 88.5 144.0 77.7 -8.3 -12.4 -19.6 8.2 19 19 A S - 0 0 28 1,-0.1 -1,-0.3 2,-0.1 -2,-0.1 -0.429 50.5-140.8 -56.4 131.4 -13.0 -15.9 9.0 20 20 A P S S+ 0 0 72 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.314 75.2 79.5 -81.5 9.3 -10.5 -13.9 7.0 21 21 A Y S S- 0 0 38 276,-0.0 -2,-0.1 277,-0.0 274,-0.1 -0.936 81.1-113.3-124.2 142.9 -10.0 -11.4 9.8 22 22 A R - 0 0 36 -2,-0.4 2,-0.1 272,-0.1 6,-0.1 -0.290 35.2-115.1 -59.2 149.4 -7.9 -11.5 13.0 23 23 A T - 0 0 37 4,-0.5 -1,-0.1 1,-0.1 -8,-0.0 -0.467 22.4-119.6 -75.0 162.0 -9.8 -11.5 16.3 24 24 A I S S+ 0 0 27 1,-0.2 160,-0.2 -2,-0.1 -1,-0.1 0.886 113.2 44.5 -68.6 -38.7 -9.3 -8.4 18.5 25 25 A T S S- 0 0 10 13,-0.1 14,-2.8 2,-0.1 -1,-0.2 0.606 112.6-114.5 -83.9 -16.2 -7.8 -10.5 21.4 26 26 A G > + 0 0 4 1,-0.4 3,-0.8 12,-0.2 12,-0.1 0.317 69.5 139.1 96.2 -7.3 -5.5 -12.7 19.2 27 27 A D T 3 + 0 0 16 1,-0.2 -4,-0.5 2,-0.1 -1,-0.4 -0.289 57.9 33.7 -61.3 150.3 -7.4 -15.9 19.9 28 28 A b T 3 S+ 0 0 14 6,-1.7 -1,-0.2 2,-0.3 7,-0.1 0.584 79.6 113.0 76.2 14.5 -8.0 -18.3 17.0 29 29 A N S < S+ 0 0 6 -3,-0.8 2,-0.5 5,-0.6 -2,-0.1 0.966 78.3 46.1 -74.1 -59.6 -4.8 -17.6 15.2 30 30 A N S S- 0 0 3 6,-0.4 -2,-0.3 3,-0.3 -1,-0.2 -0.745 80.2-156.3 -81.5 121.3 -3.4 -21.1 15.8 31 31 A R S S+ 0 0 140 -2,-0.5 -1,-0.1 1,-0.2 -16,-0.1 0.889 88.6 41.3 -71.7 -42.5 -6.2 -23.5 15.0 32 32 A R S S+ 0 0 198 1,-0.3 -1,-0.2 301,-0.1 -2,-0.0 0.723 129.0 30.9 -79.6 -20.8 -5.2 -26.5 17.1 33 33 A S S > S- 0 0 56 1,-0.1 3,-1.8 3,-0.1 -3,-0.3 -0.672 75.2-176.3-136.9 79.2 -4.2 -24.3 20.1 34 34 A P T 3 S+ 0 0 57 0, 0.0 -6,-1.7 0, 0.0 -5,-0.6 0.626 74.7 55.8 -59.2 -25.7 -6.5 -21.2 20.0 35 35 A A T > S+ 0 0 32 -8,-0.2 3,-2.0 -7,-0.1 2,-0.4 0.520 73.3 122.9 -88.4 -2.5 -5.1 -19.2 22.9 36 36 A L T < S+ 0 0 38 -3,-1.8 -6,-0.4 1,-0.3 -7,-0.3 -0.436 86.7 4.2 -63.7 114.2 -1.5 -19.1 21.6 37 37 A G T 3 S+ 0 0 0 -2,-0.4 148,-2.3 1,-0.3 149,-0.5 0.425 96.3 143.0 94.0 2.0 -0.5 -15.4 21.2 38 38 A A < - 0 0 6 -3,-2.0 3,-0.4 146,-0.2 -1,-0.3 -0.453 54.9-101.6 -78.5 145.9 -3.7 -14.0 22.7 39 39 A A S S+ 0 0 2 -14,-2.8 143,-0.2 1,-0.2 145,-0.1 -0.237 99.3 35.1 -61.1 149.6 -3.8 -10.9 25.0 40 40 A N S S+ 0 0 39 141,-2.2 2,-0.3 1,-0.3 142,-0.2 0.799 91.1 111.9 69.7 39.4 -4.2 -11.4 28.8 41 41 A R E S-A 181 0A 50 140,-1.1 140,-2.6 -3,-0.4 -1,-0.3 -0.859 75.7 -73.2-130.8 169.5 -2.1 -14.5 29.1 42 42 A A E -A 180 0A 29 -2,-0.3 138,-0.2 138,-0.2 2,-0.1 -0.290 47.9-110.4 -61.9 140.4 1.2 -15.3 30.7 43 43 A L - 0 0 5 136,-2.4 297,-0.2 1,-0.1 -1,-0.1 -0.504 47.0-103.8 -56.9 139.5 4.4 -14.1 29.0 44 44 A A B -b 340 0B 2 295,-2.2 297,-2.6 -2,-0.1 2,-0.6 -0.349 27.4-135.1 -64.0 151.4 6.2 -17.2 27.8 45 45 A R + 0 0 53 295,-0.2 295,-0.1 1,-0.1 -1,-0.0 -0.933 22.6 178.7-112.6 109.1 9.2 -18.5 29.7 46 46 A W S S+ 0 0 49 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.757 83.0 20.9 -72.8 -25.6 12.2 -19.5 27.5 47 47 A L S S- 0 0 52 -3,-0.1 -1,-0.2 400,-0.0 3,-0.1 -0.972 101.4 -86.1-138.5 153.2 14.0 -20.3 30.8 48 48 A P - 0 0 100 0, 0.0 -2,-0.1 0, 0.0 2,-0.0 -0.288 52.4-103.8 -59.8 142.0 12.7 -21.1 34.3 49 49 A A - 0 0 20 397,-0.1 2,-0.6 5,-0.1 397,-0.2 -0.300 25.6-142.0 -65.5 147.5 12.1 -18.0 36.5 50 50 A E + 0 0 71 395,-2.7 9,-0.3 -3,-0.1 2,-0.3 -0.920 30.0 166.1-119.6 104.3 14.7 -17.2 39.1 51 51 A Y > - 0 0 9 -2,-0.6 3,-1.5 3,-0.2 6,-0.1 -0.807 46.5-114.4-112.8 155.9 13.1 -15.9 42.3 52 52 A E T 3 S+ 0 0 21 5,-3.5 -1,-0.1 -2,-0.3 14,-0.1 0.855 119.3 30.4 -54.7 -43.2 14.6 -15.4 45.8 53 53 A D T 3 S- 0 0 67 4,-0.5 -1,-0.3 -3,-0.0 2,-0.2 -0.037 117.4-107.4-109.7 26.6 12.4 -18.1 47.3 54 54 A G S < S+ 0 0 50 -3,-1.5 -3,-0.2 3,-0.2 -2,-0.1 0.030 107.1 54.6 78.9 -26.6 12.1 -20.1 44.2 55 55 A L S S- 0 0 74 -2,-0.2 122,-2.6 121,-0.1 -1,-0.2 0.789 122.7 -31.1-116.7 -37.5 8.5 -19.0 43.6 56 56 A A S S+ 0 0 16 120,-0.2 389,-0.1 1,-0.2 -6,-0.1 0.456 90.3 106.8-159.2 -35.2 7.7 -15.3 43.6 57 57 A L - 0 0 46 1,-0.1 -5,-3.5 -6,-0.1 -4,-0.5 -0.561 64.5-129.1 -72.4 128.4 10.0 -13.1 45.8 58 58 A P > - 0 0 0 0, 0.0 3,-1.6 0, 0.0 4,-0.4 -0.362 28.3 -93.1 -76.9 158.2 12.4 -11.1 43.7 59 59 A F T 3 S+ 0 0 30 -9,-0.3 386,-0.1 383,-0.3 7,-0.1 -0.475 114.9 33.9 -67.4 134.7 16.1 -11.0 44.3 60 60 A G T 3 S+ 0 0 26 2,-0.3 -1,-0.2 5,-0.3 3,-0.0 0.118 89.6 103.5 102.4 -19.2 16.9 -8.0 46.6 61 61 A W S < S+ 0 0 39 -3,-1.6 2,-0.7 1,-0.2 -2,-0.1 0.932 77.1 48.5 -62.9 -53.4 13.6 -8.4 48.5 62 62 A T S > S- 0 0 31 -4,-0.4 3,-1.8 1,-0.1 -2,-0.3 -0.846 81.9-146.2 -94.9 115.1 15.1 -10.0 51.7 63 63 A Q T 3 S+ 0 0 119 -2,-0.7 -1,-0.1 1,-0.3 -2,-0.1 0.459 94.2 44.7 -64.5 -1.8 18.1 -7.9 52.7 64 64 A R T 3 S+ 0 0 192 2,-0.1 2,-0.5 7,-0.0 -1,-0.3 0.452 89.6 92.0-122.8 -11.2 20.0 -11.0 54.0 65 65 A K < - 0 0 73 -3,-1.8 -5,-0.3 2,-0.0 2,-0.2 -0.789 65.5-150.4 -87.9 131.8 19.4 -13.5 51.2 66 66 A T - 0 0 68 -2,-0.5 2,-0.6 5,-0.1 5,-0.2 -0.509 15.0-128.4 -95.2 165.1 22.1 -13.5 48.6 67 67 A R B > S-C 70 0C 9 3,-3.5 3,-1.3 -2,-0.2 422,-0.1 -0.973 96.0 -20.8-108.4 111.6 22.2 -14.2 44.9 68 68 A N T 3 S- 0 0 104 -2,-0.6 -1,-0.1 1,-0.2 3,-0.1 0.839 131.8 -46.1 57.9 38.3 25.0 -16.7 44.4 69 69 A G T 3 S+ 0 0 54 1,-0.2 2,-0.3 0, 0.0 -1,-0.2 0.323 123.4 90.8 90.8 -7.8 26.7 -15.7 47.6 70 70 A F B < S-C 67 0C 81 -3,-1.3 -3,-3.5 414,-0.1 2,-0.3 -0.920 76.7-113.4-128.6 148.1 26.4 -11.9 47.0 71 71 A R - 0 0 168 -2,-0.3 -5,-0.1 -5,-0.2 -8,-0.1 -0.582 37.2-122.0 -68.8 131.9 24.0 -9.1 47.7 72 72 A V - 0 0 23 -2,-0.3 412,-0.1 1,-0.1 3,-0.1 -0.650 34.7-111.7 -74.1 134.8 22.5 -7.7 44.5 73 73 A P - 0 0 14 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.276 38.2 -89.0 -67.9 154.2 23.3 -4.0 44.3 74 74 A L >> - 0 0 71 1,-0.1 4,-2.1 2,-0.0 3,-0.9 -0.432 32.2-127.7 -65.0 134.5 20.5 -1.4 44.6 75 75 A A H 3> S+ 0 0 2 1,-0.3 4,-1.8 2,-0.2 -1,-0.1 0.880 109.0 49.7 -51.2 -46.8 18.9 -0.6 41.3 76 76 A R H 3> S+ 0 0 3 67,-0.4 4,-2.9 2,-0.2 -1,-0.3 0.779 108.0 54.0 -66.0 -27.9 19.4 3.2 41.7 77 77 A E H <> S+ 0 0 50 -3,-0.9 4,-2.2 2,-0.2 5,-0.2 0.894 106.6 50.2 -74.6 -39.3 23.1 2.7 42.6 78 78 A V H X>S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 5,-0.9 0.908 112.6 52.0 -57.8 -38.4 23.7 0.7 39.4 79 79 A S H X>S+ 0 0 0 -4,-1.8 5,-1.5 -5,-0.3 4,-1.2 0.986 111.2 42.5 -60.7 -63.2 21.9 3.7 37.8 80 80 A N H <5S+ 0 0 50 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.816 120.8 42.7 -47.0 -39.4 24.1 6.4 39.4 81 81 A K H <5S+ 0 0 106 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.814 131.7 10.6 -86.5 -32.6 27.4 4.5 38.7 82 82 A I H <5S+ 0 0 9 -4,-2.0 330,-0.3 -5,-0.2 -3,-0.2 0.772 124.5 45.8-115.9 -43.5 27.0 3.1 35.2 83 83 A V T < + 0 0 56 -2,-0.8 3,-1.3 2,-0.1 4,-0.2 0.644 52.8 107.0 -77.3 -14.8 24.8 15.7 25.9 89 89 A D T 3 S+ 0 0 129 1,-0.2 -2,-0.1 2,-0.1 0, 0.0 -0.427 83.1 15.9 -66.7 133.9 27.3 17.0 23.3 90 90 A G T 3 S+ 0 0 66 -2,-0.1 -1,-0.2 1,-0.0 -2,-0.1 0.429 94.1 108.6 90.9 2.2 28.5 14.3 20.9 91 91 A V < + 0 0 2 -3,-1.3 315,-2.8 2,-0.1 -2,-0.1 0.556 42.9 111.9 -93.5 -10.0 25.8 11.8 21.7 92 92 A L E S-D 405 0D 79 313,-0.2 2,-0.9 -4,-0.2 313,-0.3 -0.302 73.0-113.4 -73.5 146.9 23.7 11.8 18.5 93 93 A D E > - 0 0 4 311,-3.5 3,-1.4 3,-0.2 311,-0.3 -0.723 22.5-153.7 -82.1 108.7 23.4 8.8 16.2 94 94 A Q E 3 S+ 0 0 145 -2,-0.9 -1,-0.2 1,-0.3 -2,-0.1 0.610 90.0 33.0 -58.6 -17.8 25.1 10.1 13.0 95 95 A N E 3 S+ 0 0 72 473,-0.1 2,-0.3 1,-0.1 -1,-0.3 0.032 103.8 76.4-134.7 29.4 23.1 7.6 10.8 96 96 A R E < - 0 0 14 -3,-1.4 308,-2.1 472,-0.3 472,-0.3 -0.966 66.2-138.7-139.2 128.0 19.7 7.2 12.5 97 97 A S E >> -D 403 0D 0 470,-2.0 3,-1.7 -2,-0.3 4,-0.7 -0.302 34.3-104.3 -72.6 162.9 16.7 9.7 12.4 98 98 A L H 3> S+ 0 0 7 304,-2.3 4,-1.9 300,-0.4 302,-0.2 0.778 120.9 67.3 -59.9 -23.5 14.7 10.4 15.5 99 99 A L H 3> S+ 0 0 3 300,-1.6 4,-2.8 303,-0.3 -1,-0.3 0.738 86.5 68.4 -68.4 -25.6 12.0 8.1 13.9 100 100 A F H <> S+ 0 0 0 -3,-1.7 4,-1.6 467,-0.2 -1,-0.2 0.983 106.8 38.5 -54.9 -57.5 14.3 5.1 14.3 101 101 A M H X S+ 0 0 17 -4,-0.7 4,-1.4 1,-0.2 -2,-0.2 0.932 115.9 54.2 -54.2 -48.4 13.8 5.4 18.1 102 102 A Q H X S+ 0 0 0 -4,-1.9 4,-1.2 1,-0.2 -1,-0.2 0.839 105.4 50.8 -65.5 -34.0 10.1 6.3 17.7 103 103 A W H X S+ 0 0 4 -4,-2.8 4,-2.5 1,-0.2 3,-0.3 0.901 103.9 59.2 -69.7 -40.7 9.2 3.3 15.5 104 104 A G H X S+ 0 0 7 -4,-1.6 4,-3.0 -5,-0.2 -1,-0.2 0.893 104.9 50.3 -48.7 -44.6 10.8 0.9 18.0 105 105 A Q H X S+ 0 0 40 -4,-1.4 4,-1.8 2,-0.2 -1,-0.2 0.817 108.9 51.7 -68.9 -32.5 8.5 2.1 20.7 106 106 A I H X S+ 0 0 1 -4,-1.2 4,-1.3 -3,-0.3 -2,-0.2 0.945 112.9 44.4 -66.6 -49.5 5.4 1.6 18.4 107 107 A V H >X S+ 0 0 0 -4,-2.5 4,-1.3 1,-0.2 3,-0.8 0.948 112.0 53.1 -59.4 -50.5 6.4 -2.0 17.7 108 108 A D H >X S+ 0 0 24 -4,-3.0 4,-2.3 1,-0.2 3,-0.6 0.890 108.4 50.0 -50.1 -45.2 7.2 -2.7 21.3 109 109 A H H 3< S+ 0 0 15 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.697 106.8 55.3 -72.7 -22.6 3.8 -1.4 22.4 110 110 A D H << S+ 0 0 0 -4,-1.3 -1,-0.3 -3,-0.8 -2,-0.2 0.741 115.8 38.4 -72.4 -27.2 2.1 -3.7 19.8 111 111 A L H << S+ 0 0 0 -4,-1.3 2,-0.3 -3,-0.6 228,-0.2 0.852 117.7 18.0-100.4 -37.5 3.8 -6.7 21.2 112 112 A D < + 0 0 7 -4,-2.3 2,-0.3 -5,-0.2 -1,-0.2 -0.995 40.9 165.1-145.9 145.2 4.0 -6.5 25.0 113 113 A F - 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0 0 0 -60,-0.5 4,-2.2 -2,-0.4 3,-1.7 -0.283 23.9-117.8 -64.6 148.3 19.8 10.7 29.3 415 415 A S H 3>>S+ 0 0 26 -330,-0.3 4,-2.6 1,-0.3 5,-1.2 0.704 110.4 74.8 -58.7 -23.3 19.1 12.5 32.6 416 416 A E H 345S+ 0 0 22 1,-0.2 -1,-0.3 2,-0.2 4,-0.2 0.869 113.5 23.3 -55.8 -39.0 15.7 13.4 31.1 417 417 A L H <45S+ 0 0 4 -3,-1.7 16,-2.5 -63,-0.1 4,-0.4 0.728 125.0 54.3 -94.2 -29.7 14.7 9.8 31.6 418 418 A R H <5S+ 0 0 21 -4,-2.2 -3,-0.2 14,-0.2 -2,-0.2 0.717 128.3 9.7 -83.6 -21.3 17.1 8.9 34.4 419 419 A N T <5S+ 0 0 39 -4,-2.6 -3,-0.2 -5,-0.2 -1,-0.1 0.611 130.3 43.0-126.9 -26.2 16.2 11.7 36.9 420 420 A K < + 0 0 72 -5,-1.2 10,-0.2 10,-0.2 2,-0.2 0.074 68.4 143.1-121.1 24.3 13.1 13.5 35.6 421 421 A L E -Q 431 0P 9 10,-1.9 10,-2.7 -4,-0.4 9,-0.9 -0.448 40.6-142.1 -69.5 134.6 10.6 10.8 34.5 422 422 A F E -Q 429 0P 4 7,-0.2 7,-0.2 -2,-0.2 -41,-0.1 -0.880 7.9-154.0-100.3 123.7 7.0 11.5 35.2 423 423 A Q - 0 0 42 5,-0.6 3,-0.3 -2,-0.5 7,-0.0 -0.894 19.1-130.6 -99.4 128.5 4.8 8.5 36.3 424 424 A P S S+ 0 0 52 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.601 104.6 46.4 -55.2 -19.8 1.1 8.9 35.5 425 425 A T S S+ 0 0 88 -189,-0.0 2,-0.0 0, 0.0 -3,-0.0 0.904 109.2 52.7 -87.2 -51.0 0.1 7.9 39.1 426 426 A H S S- 0 0 7 -3,-0.3 -4,-0.0 2,-0.1 0, 0.0 -0.169 78.7-125.8 -88.5 179.4 2.5 10.0 41.2 427 427 A K + 0 0 134 -5,-0.1 2,-0.2 -2,-0.0 -1,-0.1 0.726 69.2 77.0-109.9 -25.0 3.1 13.7 41.0 428 428 A I - 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0 0 0 -3,-1.5 -395,-2.7 -4,-0.4 -3,-0.2 0.907 43.9-171.9 70.7 46.4 12.3 -13.2 38.0 446 446 A M < - 0 0 8 -5,-1.9 -1,-0.2 -397,-0.2 -397,-0.1 -0.488 23.9-121.6 -79.1 131.9 14.9 -12.9 35.2 447 447 A P - 0 0 3 0, 0.0 45,-0.4 0, 0.0 -1,-0.1 -0.322 43.6-100.3 -55.8 153.5 17.9 -15.3 34.9 448 448 A G > - 0 0 2 40,-0.2 4,-1.2 43,-0.1 3,-0.4 -0.039 38.2 -85.6 -72.4-179.8 21.2 -13.4 35.0 449 449 A Y H > S+ 0 0 2 41,-1.9 4,-2.6 38,-0.4 3,-0.2 0.853 123.7 50.8 -58.6 -44.3 23.5 -12.4 32.2 450 450 A N H > S+ 0 0 2 37,-0.5 4,-2.8 1,-0.2 -1,-0.2 0.801 103.7 60.3 -72.5 -26.2 25.5 -15.6 31.9 451 451 A S H > S+ 0 0 47 -3,-0.4 4,-2.3 37,-0.2 -1,-0.2 0.896 111.0 40.8 -58.5 -43.6 22.3 -17.6 31.7 452 452 A W H X S+ 0 0 4 -4,-1.2 4,-1.9 -3,-0.2 -2,-0.2 0.887 112.2 53.9 -76.5 -39.4 21.3 -15.7 28.6 453 453 A R H <>S+ 0 0 13 -4,-2.6 5,-2.7 2,-0.2 3,-0.4 0.966 112.3 46.2 -54.1 -51.0 24.9 -15.7 27.2 454 454 A G H ><5S+ 0 0 31 -4,-2.8 3,-2.1 1,-0.2 -2,-0.2 0.939 109.0 55.3 -53.9 -50.6 24.7 -19.5 27.6 455 455 A F H 3<5S+ 0 0 57 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.796 109.5 46.7 -51.3 -35.9 21.2 -19.6 26.0 456 456 A f T 3<5S- 0 0 13 -4,-1.9 -1,-0.3 -3,-0.4 -2,-0.2 0.243 118.0-111.1 -95.2 12.5 22.5 -17.8 22.9 457 457 A G T < 5S+ 0 0 71 -3,-2.1 2,-0.3 1,-0.2 -3,-0.2 0.841 74.1 134.2 60.2 37.0 25.6 -20.1 22.6 458 458 A L < - 0 0 50 -5,-2.7 -1,-0.2 -6,-0.2 -2,-0.1 -0.869 63.4 -81.2-116.8 153.5 28.0 -17.3 23.6 459 459 A S - 0 0 77 -2,-0.3 -1,-0.1 -3,-0.1 -3,-0.1 -0.035 34.5-142.1 -51.3 146.5 30.9 -17.3 26.0 460 460 A Q - 0 0 97 -7,-0.1 -1,-0.1 -6,-0.0 7,-0.1 -0.856 14.9-147.1-117.5 93.4 30.2 -16.8 29.7 461 461 A P + 0 0 11 0, 0.0 -11,-0.1 0, 0.0 3,-0.1 -0.337 20.0 177.4 -61.2 138.6 32.8 -14.7 31.4 462 462 A K + 0 0 117 25,-0.1 2,-0.3 24,-0.1 26,-0.1 0.515 60.7 52.3-114.3 -15.1 33.6 -15.6 35.0 463 463 A T S > S- 0 0 87 23,-0.1 4,-2.6 1,-0.1 5,-0.2 -0.773 88.3-105.0-124.8 163.7 36.4 -13.1 35.8 464 464 A L H > S+ 0 0 70 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.909 122.1 48.7 -46.7 -49.1 37.1 -9.4 35.6 465 465 A K H > S+ 0 0 154 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.801 108.3 52.4 -71.3 -33.3 39.3 -10.0 32.6 466 466 A G H > S+ 0 0 22 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.924 110.3 48.9 -64.1 -46.6 36.8 -12.2 30.8 467 467 A L H X S+ 0 0 2 -4,-2.6 4,-2.5 1,-0.2 6,-0.2 0.843 107.2 56.2 -62.4 -34.6 34.2 -9.4 31.2 468 468 A Q H X>S+ 0 0 31 -4,-2.0 4,-1.2 -5,-0.2 5,-1.0 0.884 108.3 47.9 -63.2 -40.5 36.7 -6.9 29.8 469 469 A T H <5S+ 0 0 99 -4,-1.5 -2,-0.2 2,-0.2 -1,-0.2 0.909 113.8 45.3 -67.4 -46.1 37.1 -8.9 26.7 470 470 A V H <5S+ 0 0 21 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.1 0.964 122.2 36.7 -61.9 -50.7 33.4 -9.4 26.1 471 471 A L H <5S- 0 0 2 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.668 96.7-140.9 -75.1 -15.7 32.5 -5.7 26.8 472 472 A K T <5S+ 0 0 163 -4,-1.2 2,-0.3 -5,-0.2 -3,-0.2 0.853 71.9 102.2 51.4 40.2 35.8 -4.5 25.1 473 473 A N >< - 0 0 28 -5,-1.0 4,-1.5 -6,-0.2 -2,-0.1 -0.885 54.5-166.9-155.5 113.1 35.9 -2.0 27.9 474 474 A K H > S+ 0 0 146 -2,-0.3 4,-1.4 2,-0.2 -1,-0.1 0.927 91.0 45.3 -67.6 -46.4 38.2 -2.1 31.0 475 475 A I H > S+ 0 0 81 2,-0.2 4,-2.2 1,-0.2 3,-0.5 0.953 113.0 47.1 -67.9 -53.6 36.4 0.6 33.0 476 476 A L H > S+ 0 0 6 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.914 112.7 52.0 -50.0 -47.4 32.8 -0.4 32.4 477 477 A A H X S+ 0 0 0 -4,-1.5 4,-1.6 1,-0.2 -1,-0.2 0.825 108.6 51.1 -61.7 -32.3 33.8 -4.0 33.3 478 478 A K H X S+ 0 0 91 -4,-1.4 4,-1.9 -3,-0.5 -1,-0.2 0.885 109.7 47.8 -74.4 -41.2 35.3 -2.8 36.5 479 479 A K H X S+ 0 0 86 -4,-2.2 4,-1.9 2,-0.2 5,-0.2 0.959 112.3 49.8 -63.8 -51.1 32.3 -0.8 37.7 480 480 A L H X S+ 0 0 2 -4,-2.4 4,-2.2 1,-0.2 5,-0.2 0.875 111.9 48.7 -51.4 -43.0 30.0 -3.7 36.9 481 481 A M H X S+ 0 0 24 -4,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.829 108.8 52.5 -72.5 -33.8 32.2 -6.2 38.8 482 482 A D H < S+ 0 0 114 -4,-1.9 -1,-0.2 -3,-0.2 -2,-0.2 0.810 116.3 40.3 -70.5 -31.9 32.4 -3.8 41.9 483 483 A L H < S+ 0 0 17 -4,-1.9 -2,-0.2 -5,-0.1 -1,-0.2 0.853 129.8 26.7 -83.3 -30.9 28.6 -3.6 42.0 484 484 A Y H < S- 0 0 0 -4,-2.2 2,-0.7 -5,-0.2 -3,-0.2 0.621 80.6-148.6-111.9 -18.5 27.8 -7.1 41.3 485 485 A K S < S+ 0 0 114 -4,-2.3 -4,-0.1 -5,-0.2 -3,-0.1 0.119 81.7 30.7 70.8 -25.6 30.9 -9.3 42.4 486 486 A T S > S- 0 0 20 -2,-0.7 3,-1.3 -6,-0.2 4,-0.3 -0.978 78.0-125.8-155.9 142.4 30.3 -11.9 39.7 487 487 A P G > S+ 0 0 0 0, 0.0 3,-0.9 0, 0.0 -37,-0.5 0.729 103.7 75.8 -65.0 -18.4 28.9 -11.6 36.1 488 488 A D G 3 S+ 0 0 47 1,-0.2 -37,-0.2 -39,-0.2 -40,-0.2 0.777 97.3 48.0 -63.7 -26.4 26.4 -14.4 36.9 489 489 A N G < S+ 0 0 0 -3,-1.3 -1,-0.2 -41,-0.2 2,-0.2 0.542 79.3 122.8 -89.6 -12.0 24.5 -11.7 38.8 490 490 A I S < S- 0 0 2 -3,-0.9 -41,-1.9 -4,-0.3 -40,-0.1 -0.356 70.0-116.6 -59.2 118.9 24.5 -9.0 36.1 491 491 A D > - 0 0 2 -2,-0.2 4,-2.7 -43,-0.2 3,-0.3 -0.329 20.7-123.2 -52.4 132.9 20.9 -8.0 35.4 492 492 A I H > S+ 0 0 2 -45,-0.4 4,-3.3 1,-0.2 5,-0.4 0.856 106.9 56.8 -50.0 -42.6 20.0 -8.8 31.8 493 493 A W H > S+ 0 0 2 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.928 115.4 34.5 -60.6 -48.9 18.9 -5.3 30.9 494 494 A I H > S+ 0 0 0 -3,-0.3 4,-1.0 2,-0.2 -1,-0.2 0.818 120.6 51.1 -75.7 -32.0 22.2 -3.7 31.9 495 495 A G H >X S+ 0 0 3 -4,-2.7 4,-0.6 2,-0.2 3,-0.5 0.958 110.9 45.8 -68.5 -52.1 24.2 -6.7 30.7 496 496 A G H >< S+ 0 0 0 -4,-3.3 3,-0.6 1,-0.2 12,-0.4 0.878 116.3 46.8 -57.4 -40.3 22.7 -6.9 27.2 497 497 A N H 3< S+ 0 0 8 -4,-1.3 -1,-0.2 -5,-0.4 -2,-0.2 0.654 100.7 65.0 -81.0 -15.8 23.0 -3.2 26.7 498 498 A A H << S+ 0 0 0 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.648 81.1 103.1 -79.7 -12.3 26.6 -2.9 27.9 499 499 A E S << S- 0 0 3 -3,-0.6 9,-0.1 -4,-0.6 -28,-0.1 -0.414 82.2-106.4 -72.7 139.2 27.8 -5.0 24.9 500 500 A P - 0 0 41 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.347 47.2 -94.5 -62.6 151.0 29.5 -3.3 21.9 501 501 A M - 0 0 61 7,-0.2 7,-0.3 -94,-0.1 3,-0.1 -0.361 32.6-116.5 -70.2 139.5 27.3 -3.2 18.8 502 502 A V > - 0 0 19 5,-2.3 3,-1.7 1,-0.1 -1,-0.1 -0.271 53.3 -71.4 -61.6 158.8 27.4 -5.7 16.0 503 503 A E T 3 S- 0 0 156 1,-0.3 -184,-1.9 -185,-0.1 -183,-0.3 -0.337 117.3 -2.9 -58.3 130.5 28.4 -4.5 12.5 504 504 A R T 3 S+ 0 0 199 -186,-0.2 -186,-0.4 1,-0.2 -1,-0.3 0.574 119.7 99.9 59.8 14.0 25.8 -2.3 10.8 505 505 A G S < S- 0 0 2 -3,-1.7 -188,-0.2 -188,-0.2 -1,-0.2 -0.485 70.8-136.5-117.4-174.5 23.5 -2.8 13.8 506 506 A R S S+ 0 0 40 -190,-2.6 2,-0.3 -2,-0.2 -189,-0.1 0.215 82.6 53.7-134.2 13.0 22.4 -1.0 17.0 507 507 A V S S- 0 0 5 -191,-0.8 -5,-2.3 -5,-0.1 -2,-0.1 -0.932 80.3-111.1-135.2 164.2 22.5 -3.9 19.6 508 508 A G > - 0 0 2 -12,-0.4 4,-2.4 -2,-0.3 -7,-0.2 -0.084 43.4 -83.1 -82.5-173.1 25.2 -6.4 20.6 509 509 A P H > S+ 0 0 40 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.885 125.5 47.3 -60.9 -46.6 25.4 -10.2 20.2 510 510 A L H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.945 115.6 45.4 -64.6 -46.8 23.3 -11.2 23.1 511 511 A L H > S+ 0 0 3 -15,-0.4 4,-2.8 1,-0.2 5,-0.4 0.879 109.2 55.5 -62.6 -39.9 20.5 -8.7 22.3 512 512 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.872 109.8 47.9 -60.7 -38.7 20.6 -9.7 18.6 513 513 A f H X S+ 0 0 1 -4,-1.7 4,-2.6 2,-0.2 5,-0.2 0.941 114.1 44.3 -66.1 -51.4 19.9 -13.3 19.6 514 514 A L H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.955 121.9 38.1 -60.2 -52.2 17.1 -12.5 22.0 515 515 A L H X S+ 0 0 2 -4,-2.8 4,-2.6 2,-0.2 5,-0.2 0.947 116.6 51.6 -63.5 -52.3 15.4 -10.0 19.6 516 516 A G H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.4 5,-0.2 0.904 110.4 48.7 -51.9 -50.2 16.1 -12.0 16.5 517 517 A R H X S+ 0 0 78 -4,-2.6 4,-2.1 -5,-0.2 -1,-0.2 0.930 112.1 48.8 -53.4 -52.4 14.7 -15.2 17.9 518 518 A Q H X S+ 0 0 0 -4,-1.9 4,-2.4 -5,-0.2 -2,-0.2 0.904 113.0 46.6 -57.4 -46.9 11.5 -13.5 19.1 519 519 A F H X S+ 0 0 2 -4,-2.6 4,-1.7 2,-0.2 5,-0.2 0.896 109.5 53.0 -66.6 -42.6 10.9 -11.8 15.7 520 520 A Q H X S+ 0 0 46 -4,-2.3 4,-2.8 -5,-0.2 -1,-0.2 0.921 112.7 47.3 -53.3 -47.2 11.5 -15.0 13.7 521 521 A Q H X S+ 0 0 31 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.906 109.3 50.2 -64.5 -46.2 8.9 -16.7 15.9 522 522 A I H < S+ 0 0 2 -4,-2.4 -335,-0.3 1,-0.2 -1,-0.2 0.745 116.7 43.2 -71.0 -21.5 6.2 -14.0 15.7 523 523 A R H >< S+ 0 0 15 -4,-1.7 3,-1.1 -5,-0.2 -2,-0.2 0.914 117.9 43.1 -81.0 -48.8 6.5 -13.9 11.9 524 524 A D H 3< S+ 0 0 22 -4,-2.8 -192,-2.8 1,-0.2 -189,-0.2 0.728 115.2 49.8 -70.1 -24.8 6.7 -17.7 11.5 525 525 A G T 3< S+ 0 0 0 -4,-2.4 2,-0.8 -5,-0.2 -1,-0.2 0.313 86.8 103.1 -97.5 8.7 3.9 -18.4 14.0 526 526 A D X - 0 0 0 -3,-1.1 3,-2.2 1,-0.1 6,-0.1 -0.813 50.5-167.5-102.0 104.0 1.4 -15.9 12.5 527 527 A R T 3 S+ 0 0 33 -2,-0.8 -1,-0.1 1,-0.3 -196,-0.1 0.724 93.6 50.1 -57.1 -20.2 -1.4 -17.4 10.4 528 528 A F T 3 S+ 0 0 23 -3,-0.1 -1,-0.3 7,-0.0 -506,-0.1 0.190 73.8 141.9-109.6 16.0 -2.1 -13.9 9.2 529 529 A W X - 0 0 2 -3,-2.2 3,-1.1 -6,-0.2 6,-0.2 -0.303 61.1-119.4 -53.9 143.4 1.4 -12.8 8.2 530 530 A W T 3 S+ 0 0 20 1,-0.3 6,-0.4 -229,-0.1 5,-0.2 0.809 110.8 46.6 -65.2 -34.0 1.1 -10.7 5.1 531 531 A E T 3 S+ 0 0 69 4,-0.1 -1,-0.3 2,-0.1 -2,-0.1 0.568 80.8 119.7 -83.4 -11.5 3.2 -13.0 2.8 532 532 A N S X> S- 0 0 22 -3,-1.1 3,-2.1 -6,-0.1 4,-0.5 -0.402 80.1-106.2 -56.3 115.2 1.4 -16.1 4.1 533 533 A P B 34 S+r 536 0Q 96 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.205 102.7 22.2 -52.3 126.9 -0.2 -17.5 0.8 534 534 A G T 34 S+ 0 0 78 2,-0.8 3,-0.1 -3,-0.1 -2,-0.1 0.324 97.7 90.3 100.9 -6.1 -3.9 -16.8 0.8 535 535 A V T <4 S+ 0 0 17 -3,-2.1 2,-0.3 1,-0.4 -4,-0.1 0.864 104.0 11.2 -84.9 -45.6 -4.1 -13.9 3.3 536 536 A F B < S-r 533 0Q 8 -4,-0.5 -2,-0.8 -6,-0.4 -1,-0.4 -0.946 90.0-109.5-120.7 154.3 -3.7 -11.3 0.5 537 537 A T > - 0 0 77 -2,-0.3 4,-2.7 -3,-0.1 5,-0.2 -0.401 33.8-106.8 -72.0 158.7 -3.9 -12.0 -3.2 538 538 A E H > S+ 0 0 142 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.882 123.4 49.1 -50.2 -45.0 -0.7 -11.8 -5.3 539 539 A K H > S+ 0 0 147 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.858 109.8 51.1 -67.0 -36.7 -1.9 -8.5 -6.8 540 540 A Q H > S+ 0 0 27 2,-0.2 4,-1.6 49,-0.2 3,-0.4 0.905 109.0 52.0 -64.4 -42.0 -2.6 -7.1 -3.3 541 541 A R H X S+ 0 0 49 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.919 105.2 54.3 -60.4 -46.2 0.9 -8.1 -2.2 542 542 A D H < S+ 0 0 100 -4,-2.2 4,-0.3 1,-0.2 -1,-0.2 0.773 109.8 49.3 -55.7 -29.0 2.5 -6.3 -5.1 543 543 A S H >< S+ 0 0 6 -4,-1.0 3,-0.8 -3,-0.4 43,-0.3 0.847 107.6 53.7 -79.3 -36.0 0.6 -3.2 -4.0 544 544 A L H >< S+ 0 0 0 -4,-1.6 3,-1.5 1,-0.2 -2,-0.2 0.770 96.2 65.3 -73.2 -29.9 1.7 -3.5 -0.3 545 545 A Q T 3< S+ 0 0 114 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.681 92.9 64.1 -66.3 -19.6 5.4 -3.7 -1.1 546 546 A K T < S+ 0 0 103 -3,-0.8 -1,-0.3 -4,-0.3 -2,-0.2 0.543 79.1 112.9 -81.4 -9.1 5.2 -0.1 -2.4 547 547 A M < + 0 0 11 -3,-1.5 2,-0.3 -4,-0.1 37,-0.1 -0.317 40.1 169.0 -64.0 147.5 4.3 1.1 1.1 548 548 A S > - 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