==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR 19-NOV-09 3KRQ . COMPND 2 MOLECULE: LACTOPEROXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR A.K.SINGH,N.SINGH,M.SINHA,G.S.KUSHWAHA,P.KAUR,A.SRINIVASAN,S . 595 1 7 7 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26194.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 341 57.3 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 . 41 6.9 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 . 2 0.3 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 . 28 4.7 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 . 156 26.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.0 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 8 1 0 3 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 . 10 5 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 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 0 157 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 98.8 4.7 -33.9 38.1 2 2 A W - 0 0 226 1,-0.1 2,-0.2 2,-0.0 0, 0.0 -0.245 360.0-124.0 -67.5 151.6 4.9 -31.4 35.2 3 3 A E - 0 0 127 1,-0.1 3,-0.1 0, 0.0 -1,-0.1 -0.547 10.4-149.7 -95.8 147.0 1.9 -29.5 34.0 4 4 A V S S- 0 0 159 1,-0.3 2,-0.3 -2,-0.2 -1,-0.1 0.825 75.3 -46.9 -83.4 -37.1 0.2 -29.1 30.7 5 5 A G - 0 0 61 2,-0.0 2,-0.4 0, 0.0 -1,-0.3 -0.954 51.8 -91.2 173.6 167.2 -0.9 -25.5 31.5 6 6 A a - 0 0 76 -2,-0.3 2,-0.3 -3,-0.1 161,-0.1 -0.797 25.6-159.3-103.7 130.3 -2.4 -22.8 33.8 7 7 A G + 0 0 80 -2,-0.4 3,-0.1 160,-0.0 -1,-0.0 -0.439 51.6 91.4-124.9 78.6 -6.2 -21.8 33.8 8 8 A A S S+ 0 0 41 -2,-0.3 158,-0.0 1,-0.3 0, 0.0 0.299 83.0 37.3-115.1-121.9 -7.4 -18.2 35.4 9 9 A P S S+ 0 0 110 0, 0.0 -1,-0.3 0, 0.0 158,-0.0 -0.113 88.9 91.3 -43.8 118.1 -7.6 -15.3 32.8 10 10 A V - 0 0 51 -3,-0.1 2,-1.2 2,-0.0 30,-0.0 0.229 43.4-173.1 164.7 64.5 -9.0 -16.8 29.5 11 11 A P - 0 0 135 0, 0.0 -3,-0.0 0, 0.0 0, 0.0 -0.586 52.9-119.6 -56.8 102.0 -12.8 -16.9 28.8 12 12 A L - 0 0 145 -2,-1.2 2,-0.3 1,-0.1 -2,-0.0 -0.062 22.3-138.3 -56.7 147.1 -11.8 -19.1 25.5 13 13 A V - 0 0 71 1,-0.0 2,-0.2 0, 0.0 15,-0.1 -0.656 11.5-128.4 -93.5 149.0 -12.6 -17.9 21.9 14 14 A K - 0 0 198 -2,-0.3 2,-0.4 14,-0.0 3,-0.1 -0.484 27.9-126.9 -81.5 167.1 -13.9 -20.2 19.2 15 15 A b - 0 0 41 -2,-0.2 13,-0.1 1,-0.1 16,-0.0 -0.993 4.6-147.1-124.0 131.4 -11.9 -19.9 16.0 16 16 A D - 0 0 112 -2,-0.4 -1,-0.1 1,-0.1 12,-0.0 0.809 19.2-166.8 -62.4 -36.3 -13.6 -19.2 12.6 17 17 A E S S+ 0 0 120 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.690 78.7 65.3 49.6 26.0 -11.1 -21.3 10.8 18 18 A N S S+ 0 0 146 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.259 78.8 134.7-140.6 -3.8 -12.3 -19.8 7.6 19 19 A S - 0 0 39 1,-0.1 -2,-0.1 2,-0.1 4,-0.1 -0.408 42.3-168.8 -82.2 125.7 -11.2 -16.5 8.5 20 20 A P S S+ 0 0 73 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.772 70.6 59.7 -53.5 -49.7 -9.4 -14.2 6.3 21 21 A Y S S- 0 0 50 1,-0.1 -2,-0.1 0, 0.0 274,-0.1 -0.706 85.8-107.3-106.9 153.6 -8.5 -11.7 8.8 22 22 A R - 0 0 32 -2,-0.3 6,-0.1 272,-0.1 -1,-0.1 -0.278 39.3-112.7 -61.2 153.4 -6.4 -11.9 12.0 23 23 A T - 0 0 42 4,-0.6 3,-0.2 1,-0.1 -1,-0.1 -0.357 23.1-118.3 -77.8 171.0 -8.3 -11.7 15.2 24 24 A I S S+ 0 0 31 1,-0.2 160,-0.2 -2,-0.1 -1,-0.1 0.873 112.9 50.4 -77.9 -37.5 -7.6 -8.6 17.3 25 25 A T S S- 0 0 30 1,-0.1 14,-2.0 13,-0.1 -1,-0.2 0.440 110.8-116.9 -80.3 -1.1 -6.3 -10.7 20.2 26 26 A G S > S+ 0 0 3 1,-0.3 3,-0.9 -3,-0.2 12,-0.1 0.243 70.5 136.8 85.1 -18.9 -3.8 -12.7 18.1 27 27 A D T 3 + 0 0 11 1,-0.2 -4,-0.6 2,-0.1 -1,-0.3 -0.150 57.7 30.9 -58.5 157.3 -5.7 -15.9 19.0 28 28 A b T 3 S+ 0 0 16 6,-1.1 -1,-0.2 2,-0.2 7,-0.1 0.576 79.5 115.6 71.0 9.9 -6.4 -18.5 16.2 29 29 A N S < S+ 0 0 4 -3,-0.9 2,-0.7 5,-0.6 -2,-0.1 0.932 77.8 47.0 -74.0 -46.9 -3.2 -17.7 14.2 30 30 A N S S- 0 0 6 4,-0.4 3,-0.5 3,-0.3 -2,-0.2 -0.868 80.3-155.9 -96.5 116.7 -1.9 -21.1 14.8 31 31 A R S S+ 0 0 125 -2,-0.7 -1,-0.1 1,-0.2 -2,-0.0 0.844 89.5 41.2 -61.3 -38.8 -4.6 -23.6 14.1 32 32 A R S S+ 0 0 205 1,-0.3 -1,-0.2 301,-0.1 -2,-0.0 0.548 127.6 31.9 -86.2 -10.4 -3.4 -26.5 16.2 33 33 A S S > S- 0 0 59 -3,-0.5 3,-1.4 1,-0.1 -3,-0.3 -0.607 75.2-176.9-151.4 75.1 -2.3 -24.3 19.1 34 34 A P T 3 S+ 0 0 51 0, 0.0 -6,-1.1 0, 0.0 -5,-0.6 0.787 74.6 51.3 -48.7 -45.6 -4.7 -21.3 19.2 35 35 A A T > S+ 0 0 32 -8,-0.2 3,-2.5 -7,-0.1 2,-0.3 0.652 75.7 120.7 -77.1 -13.9 -3.4 -19.2 21.9 36 36 A L T < S+ 0 0 40 -3,-1.4 -6,-0.3 1,-0.3 -7,-0.2 -0.317 88.8 5.5 -55.4 111.5 0.3 -19.1 20.7 37 37 A G T 3 S+ 0 0 3 1,-0.3 148,-2.5 -2,-0.3 149,-0.5 0.338 97.5 136.4 99.2 -7.9 1.2 -15.5 20.1 38 38 A A < - 0 0 5 -3,-2.5 3,-0.4 146,-0.2 -1,-0.3 -0.484 58.8 -99.4 -78.7 146.0 -2.1 -14.1 21.5 39 39 A A S S+ 0 0 3 -14,-2.0 143,-0.3 1,-0.2 145,-0.1 -0.018 99.3 32.2 -55.6 161.4 -2.1 -11.1 23.8 40 40 A N S S+ 0 0 90 141,-1.6 2,-0.3 1,-0.2 -1,-0.2 0.774 92.4 110.9 55.8 34.7 -2.4 -11.4 27.6 41 41 A R E S-A 181 0A 64 140,-1.1 140,-2.9 -3,-0.4 -1,-0.2 -0.835 78.0 -68.5-126.4 167.9 -0.5 -14.7 27.9 42 42 A A E -A 180 0A 25 -2,-0.3 138,-0.2 138,-0.2 2,-0.2 -0.204 48.1-112.0 -59.4 142.1 2.8 -15.5 29.4 43 43 A L - 0 0 4 136,-2.9 297,-0.2 1,-0.1 298,-0.1 -0.583 47.5-103.4 -69.3 140.7 6.0 -14.2 27.7 44 44 A A B -b 340 0B 2 295,-1.8 297,-2.3 -2,-0.2 2,-0.6 -0.301 27.4-132.5 -68.3 152.0 7.8 -17.3 26.4 45 45 A R + 0 0 50 295,-0.2 -1,-0.1 1,-0.1 295,-0.1 -0.903 23.1 178.1-110.4 111.5 10.8 -18.7 28.2 46 46 A W S S+ 0 0 43 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.765 83.3 15.2 -79.3 -25.8 13.9 -19.6 26.1 47 47 A L S S- 0 0 46 400,-0.0 -1,-0.2 3,-0.0 3,-0.1 -0.946 105.6 -83.3-140.3 153.0 15.9 -20.6 29.2 48 48 A P - 0 0 101 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 -0.235 54.4 -95.1 -59.7 148.7 14.4 -21.3 32.6 49 49 A A - 0 0 20 5,-0.1 2,-0.5 397,-0.1 397,-0.2 -0.274 32.1-148.2 -63.4 148.6 13.7 -18.3 34.9 50 50 A E + 0 0 66 395,-3.7 9,-0.3 394,-0.1 2,-0.2 -0.899 29.0 157.2-125.8 102.2 16.4 -17.4 37.4 51 51 A Y - 0 0 9 -2,-0.5 3,-0.3 7,-0.1 392,-0.1 -0.551 53.6-105.9-112.1 179.8 15.1 -15.9 40.6 52 52 A E S S+ 0 0 24 5,-2.8 -1,-0.0 1,-0.2 14,-0.0 0.778 121.6 29.5 -80.7 -26.1 16.7 -15.7 44.1 53 53 A D S S- 0 0 73 4,-0.5 -1,-0.2 12,-0.0 -3,-0.0 0.079 112.3-110.4-117.7 21.4 14.4 -18.4 45.5 54 54 A G S S+ 0 0 51 -3,-0.3 -5,-0.1 3,-0.2 -2,-0.1 0.277 105.4 59.1 69.4 -11.4 13.9 -20.3 42.3 55 55 A L S S- 0 0 63 121,-0.2 122,-4.1 -5,-0.1 -1,-0.1 0.833 123.0 -39.7-113.8 -54.9 10.2 -19.2 42.1 56 56 A A S S+ 0 0 18 120,-0.2 389,-0.1 -7,-0.0 -6,-0.1 0.476 88.4 116.4-153.8 -20.1 9.6 -15.5 41.9 57 57 A L - 0 0 47 1,-0.1 -5,-2.8 -6,-0.1 -4,-0.5 -0.331 65.2-104.7 -67.9 144.9 11.9 -13.5 44.2 58 58 A P > - 0 0 0 0, 0.0 3,-3.9 0, 0.0 4,-0.5 -0.469 21.6-120.1 -67.9 116.0 14.3 -10.9 42.8 59 59 A F T 3 S+ 0 0 28 383,-0.4 7,-0.1 -2,-0.3 386,-0.1 -0.487 114.7 29.6 -53.5 126.3 17.9 -11.6 42.6 60 60 A G T 3 S+ 0 0 31 5,-0.4 -1,-0.3 2,-0.3 3,-0.1 0.407 91.3 107.0 98.7 1.0 18.9 -8.7 44.9 61 61 A W S < S+ 0 0 46 -3,-3.9 2,-0.5 1,-0.1 -2,-0.1 0.907 75.9 49.1 -75.8 -44.7 15.6 -8.8 46.9 62 62 A T S > S- 0 0 35 -4,-0.5 3,-1.1 3,-0.2 -2,-0.3 -0.858 78.6-140.0-102.0 128.4 17.2 -10.2 50.0 63 63 A Q T 3 S+ 0 0 159 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.870 100.8 44.6 -48.6 -43.4 20.3 -8.6 51.4 64 64 A R T 3 S+ 0 0 189 -3,-0.1 2,-0.8 7,-0.1 -1,-0.2 0.561 88.5 92.9 -85.8 -13.6 21.9 -11.9 52.2 65 65 A K < - 0 0 97 -3,-1.1 -5,-0.4 2,-0.0 -3,-0.2 -0.753 59.9-163.8 -89.9 109.2 21.2 -14.0 49.1 66 66 A T - 0 0 63 -2,-0.8 2,-0.6 5,-0.1 5,-0.2 -0.283 20.6-124.4 -83.4 166.7 24.0 -13.8 46.7 67 67 A R B > S-C 70 0C 9 3,-2.8 3,-1.8 1,-0.2 422,-0.1 -0.981 94.8 -20.3-113.4 115.4 24.1 -14.8 43.0 68 68 A N T 3 S- 0 0 108 -2,-0.6 -1,-0.2 1,-0.3 3,-0.1 0.828 132.9 -47.7 53.1 36.2 26.9 -17.3 42.5 69 69 A G T 3 S+ 0 0 52 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.406 120.5 94.6 90.8 -2.2 28.5 -16.1 45.7 70 70 A F B < S-C 67 0C 83 -3,-1.8 -3,-2.8 414,-0.0 -1,-0.2 -0.963 74.6-111.8-128.0 142.5 28.3 -12.4 45.1 71 71 A R - 0 0 163 -2,-0.4 -5,-0.1 -5,-0.2 -8,-0.1 -0.305 36.1-120.8 -61.2 153.7 26.0 -9.5 46.0 72 72 A V - 0 0 22 413,-0.0 3,-0.1 1,-0.0 412,-0.1 -0.857 31.3-116.4-115.5 104.0 24.2 -8.0 43.0 73 73 A P - 0 0 16 0, 0.0 5,-0.1 0, 0.0 410,-0.1 0.174 34.4 -92.4 -54.3 150.7 24.9 -4.4 42.6 74 74 A L > - 0 0 65 1,-0.1 4,-2.1 2,-0.1 3,-0.4 -0.282 30.6-127.8 -57.2 139.9 22.1 -1.8 42.9 75 75 A A H > S+ 0 0 1 1,-0.3 4,-2.0 2,-0.2 -1,-0.1 0.877 110.9 49.3 -58.6 -40.8 20.5 -0.9 39.6 76 76 A R H > S+ 0 0 4 67,-0.5 4,-2.5 2,-0.2 -1,-0.3 0.772 108.0 55.6 -72.4 -22.9 21.1 2.8 40.1 77 77 A E H > S+ 0 0 53 -3,-0.4 4,-2.5 2,-0.2 5,-0.2 0.903 109.1 45.6 -73.9 -41.2 24.7 2.1 41.0 78 78 A V H X>S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 5,-1.2 0.897 113.5 53.0 -65.8 -39.1 25.3 0.3 37.7 79 79 A S H X>S+ 0 0 0 -4,-2.0 5,-1.7 -5,-0.2 4,-0.5 0.956 113.2 40.4 -61.1 -53.6 23.5 3.1 36.1 80 80 A N H <5S+ 0 0 44 -4,-2.5 4,-0.2 1,-0.2 -2,-0.2 0.944 119.8 42.2 -59.4 -56.1 25.7 5.9 37.6 81 81 A K H <5S+ 0 0 117 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.714 135.2 10.0 -68.5 -24.8 29.1 4.2 37.3 82 82 A I H <5S+ 0 0 9 -4,-1.7 330,-0.4 -5,-0.2 -3,-0.2 0.731 121.9 50.3-121.1 -50.7 28.6 2.8 33.8 83 83 A V T < + 0 0 50 -2,-0.7 3,-1.2 2,-0.1 4,-0.2 0.508 50.4 114.6 -81.5 -6.0 26.4 15.3 24.4 89 89 A E T 3 S+ 0 0 148 1,-0.2 -2,-0.1 2,-0.1 0, 0.0 -0.447 84.7 5.8 -66.9 136.2 28.9 16.6 21.8 90 90 A G T 3 S+ 0 0 71 -2,-0.1 -1,-0.2 1,-0.1 -2,-0.1 0.454 92.6 113.9 72.9 2.9 29.9 14.0 19.2 91 91 A V < + 0 0 5 -3,-1.2 315,-2.7 2,-0.1 -2,-0.1 0.521 47.0 114.2 -83.8 -4.2 27.5 11.3 20.3 92 92 A L E S-D 405 0D 70 313,-0.2 2,-0.8 -4,-0.2 313,-0.2 -0.278 71.2-115.3 -72.7 153.6 25.3 11.5 17.1 93 93 A D E > - 0 0 4 311,-2.8 3,-1.2 3,-0.2 311,-0.3 -0.784 17.8-158.6 -89.7 108.4 25.0 8.7 14.5 94 94 A Q E 3 S+ 0 0 143 -2,-0.8 475,-0.1 1,-0.2 -1,-0.1 0.586 89.8 34.5 -64.4 -10.1 26.4 9.9 11.2 95 95 A N E 3 S+ 0 0 76 473,-0.1 2,-0.3 1,-0.1 -1,-0.2 0.047 102.8 71.6-139.1 34.9 24.4 7.3 9.3 96 96 A R E < - 0 0 12 -3,-1.2 308,-2.2 472,-0.3 472,-0.3 -0.935 67.3-139.8-147.6 120.7 21.0 6.8 11.0 97 97 A S E >> -D 403 0D 0 470,-2.0 3,-0.8 -2,-0.3 4,-0.7 -0.136 35.7-101.4 -68.9 175.4 18.2 9.4 11.0 98 98 A L H 3> S+ 0 0 4 304,-1.7 4,-1.8 301,-0.8 302,-0.2 0.665 122.1 69.1 -74.4 -13.7 16.2 9.9 14.1 99 99 A L H 3> S+ 0 0 1 300,-1.3 4,-3.3 467,-0.3 5,-0.3 0.798 86.8 66.7 -70.8 -30.1 13.5 7.8 12.5 100 100 A F H <> S+ 0 0 0 -3,-0.8 4,-1.5 299,-0.2 -1,-0.2 0.958 106.2 40.2 -54.2 -54.5 15.9 4.8 12.9 101 101 A M H X S+ 0 0 14 -4,-0.7 4,-1.3 1,-0.2 -1,-0.2 0.926 116.3 52.8 -60.0 -45.5 15.4 5.1 16.7 102 102 A Q H X S+ 0 0 0 -4,-1.8 4,-2.1 1,-0.2 3,-0.3 0.882 104.6 50.8 -63.3 -42.7 11.7 5.9 16.3 103 103 A W H X S+ 0 0 2 -4,-3.3 4,-3.5 1,-0.2 5,-0.3 0.915 105.3 62.2 -61.1 -38.0 10.7 2.9 14.2 104 104 A G H X S+ 0 0 7 -4,-1.5 4,-2.3 -5,-0.3 -1,-0.2 0.886 106.3 41.6 -52.3 -47.1 12.5 0.8 16.7 105 105 A Q H X S+ 0 0 42 -4,-1.3 4,-2.4 -3,-0.3 -1,-0.2 0.849 114.2 53.7 -70.9 -35.6 10.1 1.9 19.5 106 106 A I H X S+ 0 0 0 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.982 112.1 43.0 -60.6 -58.2 7.1 1.5 17.2 107 107 A V H X S+ 0 0 0 -4,-3.5 4,-2.0 1,-0.3 3,-0.5 0.919 113.5 53.2 -55.4 -46.8 8.0 -2.1 16.2 108 108 A D H X S+ 0 0 21 -4,-2.3 4,-2.3 -5,-0.3 -1,-0.3 0.904 108.1 50.0 -56.9 -41.1 8.8 -2.8 19.9 109 109 A H H < S+ 0 0 14 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.770 106.0 56.2 -71.0 -22.2 5.4 -1.5 20.9 110 110 A D H < S+ 0 0 0 -4,-1.6 -1,-0.2 -3,-0.5 -2,-0.2 0.897 115.8 38.7 -72.9 -36.6 3.7 -3.7 18.3 111 111 A L H < S+ 0 0 0 -4,-2.0 2,-0.3 -5,-0.2 -2,-0.2 0.859 116.9 9.8 -84.9 -41.9 5.4 -6.7 19.8 112 112 A D < + 0 0 8 -4,-2.3 2,-0.3 70,-0.1 -1,-0.2 -0.998 39.9 167.5-149.7 151.1 5.5 -6.6 23.6 113 113 A F - 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0 0 0 -3,-2.0 -395,-3.7 1,-0.2 -3,-0.2 0.821 45.4-177.7 64.3 32.1 14.0 -13.6 36.5 446 446 A M < - 0 0 6 -5,-1.8 -1,-0.2 -397,-0.2 -397,-0.1 -0.367 25.6-122.7 -64.9 136.5 16.5 -13.2 33.6 447 447 A P - 0 0 1 0, 0.0 45,-0.5 0, 0.0 -1,-0.1 -0.349 42.4 -92.0 -72.3 163.9 19.6 -15.5 33.5 448 448 A G > - 0 0 2 43,-0.1 4,-1.6 40,-0.1 43,-0.2 -0.061 39.3 -88.1 -73.8 178.5 22.9 -13.7 33.5 449 449 A Y H > S+ 0 0 0 41,-1.9 4,-1.6 38,-0.3 39,-0.2 0.834 124.5 46.5 -53.3 -44.7 25.1 -12.5 30.6 450 450 A N H > S+ 0 0 1 37,-0.6 4,-3.2 2,-0.2 5,-0.3 0.862 103.5 61.7 -73.5 -33.3 27.1 -15.7 30.2 451 451 A S H > S+ 0 0 44 37,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.941 112.0 41.5 -55.4 -42.1 24.0 -17.9 30.3 452 452 A W H X S+ 0 0 3 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.817 109.2 55.6 -77.0 -29.7 23.0 -16.0 27.2 453 453 A R H <>S+ 0 0 16 -4,-1.6 5,-3.0 2,-0.2 -2,-0.2 0.948 112.4 46.6 -64.7 -44.1 26.5 -16.0 25.6 454 454 A G H ><5S+ 0 0 31 -4,-3.2 3,-2.3 1,-0.2 -2,-0.2 0.949 108.2 54.3 -58.5 -48.0 26.2 -19.8 26.0 455 455 A F H 3<5S+ 0 0 61 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.851 113.2 44.3 -52.9 -38.3 22.7 -19.8 24.5 456 456 A f T 3<5S- 0 0 17 -4,-1.9 -1,-0.3 2,-0.1 -2,-0.2 0.305 117.9-112.2 -93.1 8.3 24.0 -18.0 21.5 457 457 A G T < 5S+ 0 0 69 -3,-2.3 2,-0.3 1,-0.2 -3,-0.2 0.868 73.1 131.8 64.4 39.4 27.2 -20.2 21.2 458 458 A L < - 0 0 47 -5,-3.0 -1,-0.2 -8,-0.1 -2,-0.1 -0.863 64.5 -84.2-119.6 153.9 29.6 -17.4 22.1 459 459 A S - 0 0 76 -2,-0.3 -1,-0.1 -3,-0.1 -3,-0.1 -0.114 32.9-138.6 -55.0 154.8 32.4 -17.5 24.6 460 460 A Q - 0 0 88 -7,-0.1 -1,-0.1 -6,-0.0 7,-0.1 -0.875 17.8-142.4-120.8 93.7 31.7 -16.9 28.3 461 461 A P - 0 0 9 0, 0.0 -11,-0.1 0, 0.0 3,-0.1 -0.227 19.6-178.9 -56.1 140.9 34.4 -14.7 29.8 462 462 A K + 0 0 113 1,-0.1 2,-0.3 25,-0.1 26,-0.1 0.593 61.0 40.4-117.6 -16.8 35.3 -15.7 33.4 463 463 A T S > S- 0 0 81 1,-0.1 4,-3.2 23,-0.1 5,-0.3 -0.845 87.0-101.5-131.9 166.9 37.9 -13.0 34.2 464 464 A L H > S+ 0 0 58 -2,-0.3 4,-3.4 1,-0.3 5,-0.2 0.949 123.1 50.4 -47.6 -59.4 38.7 -9.3 33.8 465 465 A K H > S+ 0 0 145 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.868 111.8 47.4 -49.8 -43.8 41.1 -10.2 31.0 466 466 A G H > S+ 0 0 22 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.957 114.2 45.6 -66.3 -47.3 38.5 -12.3 29.3 467 467 A L H X S+ 0 0 1 -4,-3.2 4,-3.3 1,-0.2 5,-0.3 0.881 108.7 57.9 -63.6 -34.5 35.8 -9.8 29.6 468 468 A Q H X>S+ 0 0 37 -4,-3.4 4,-1.9 -5,-0.3 5,-0.8 0.934 107.3 48.7 -56.4 -48.3 38.3 -7.1 28.4 469 469 A T H <5S+ 0 0 92 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.882 114.1 43.8 -59.9 -44.3 38.8 -9.1 25.3 470 470 A V H <5S+ 0 0 29 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.945 120.8 39.7 -69.6 -48.1 35.1 -9.5 24.6 471 471 A L H <5S- 0 0 2 -4,-3.3 -2,-0.2 -5,-0.2 -1,-0.2 0.683 94.1-144.6 -74.7 -17.0 34.1 -5.9 25.4 472 472 A K T <5S+ 0 0 171 -4,-1.9 2,-0.3 -5,-0.3 -3,-0.2 0.809 71.6 101.1 55.6 28.9 37.3 -4.6 23.7 473 473 A N >< - 0 0 25 -5,-0.8 4,-2.0 -6,-0.2 5,-0.2 -0.893 55.1-167.1-143.4 108.8 37.3 -2.0 26.4 474 474 A K H > S+ 0 0 130 -2,-0.3 4,-1.8 1,-0.2 -1,-0.1 0.931 91.2 45.2 -62.4 -46.9 39.7 -2.3 29.4 475 475 A I H > S+ 0 0 100 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.898 113.0 48.8 -70.8 -39.6 38.0 0.4 31.5 476 476 A L H > S+ 0 0 3 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.967 111.6 50.6 -63.5 -47.3 34.4 -0.8 30.8 477 477 A A H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.878 109.9 53.2 -51.6 -40.9 35.4 -4.4 31.7 478 478 A K H X S+ 0 0 77 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.918 108.0 46.2 -61.5 -52.6 37.0 -3.1 34.9 479 479 A K H X S+ 0 0 80 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.888 112.9 52.9 -62.5 -38.9 33.9 -1.2 36.1 480 480 A L H X S+ 0 0 2 -4,-2.3 4,-3.7 2,-0.2 5,-0.5 0.957 111.2 44.3 -61.1 -52.1 31.7 -4.2 35.3 481 481 A M H X S+ 0 0 35 -4,-2.5 4,-2.3 1,-0.3 -2,-0.2 0.893 111.8 53.3 -58.7 -45.5 33.9 -6.6 37.3 482 482 A D H < S+ 0 0 103 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.836 118.4 37.8 -59.5 -33.0 34.2 -4.2 40.2 483 483 A L H < S+ 0 0 16 -4,-1.6 -2,-0.2 -3,-0.2 -1,-0.2 0.901 132.3 21.7 -85.9 -44.9 30.4 -4.0 40.2 484 484 A Y H < S- 0 0 0 -4,-3.7 -3,-0.2 -5,-0.2 -2,-0.2 0.729 80.0-150.4 -97.5 -27.4 29.3 -7.6 39.5 485 485 A K S < S+ 0 0 111 -4,-2.3 -4,-0.1 -5,-0.5 -3,-0.1 0.150 77.4 44.2 72.0 -16.0 32.4 -9.6 40.5 486 486 A T S > S- 0 0 17 -6,-0.2 3,-4.0 -23,-0.1 4,-0.5 -0.897 78.8-128.8-153.4 130.0 31.8 -12.5 37.9 487 487 A P G > S+ 0 0 0 0, 0.0 3,-0.8 0, 0.0 -37,-0.6 0.749 109.8 71.1 -46.3 -21.9 30.7 -12.2 34.2 488 488 A D G 3 S+ 0 0 46 1,-0.2 -37,-0.3 -39,-0.2 -38,-0.2 0.842 93.6 50.9 -63.6 -35.1 28.2 -14.6 35.3 489 489 A N G < S+ 0 0 0 -3,-4.0 2,-0.4 -41,-0.2 -1,-0.2 0.533 77.5 119.1 -85.9 -3.7 26.4 -12.0 37.3 490 490 A I < - 0 0 1 -3,-0.8 -41,-1.9 -4,-0.5 -40,-0.1 -0.466 69.9-117.6 -69.4 117.9 26.0 -9.2 34.6 491 491 A D > - 0 0 4 -2,-0.4 4,-2.7 -43,-0.2 3,-0.4 -0.267 22.9-122.3 -54.3 135.6 22.4 -8.4 33.9 492 492 A I H > S+ 0 0 4 -45,-0.5 4,-2.3 1,-0.2 5,-0.2 0.752 105.0 60.4 -54.0 -33.0 21.6 -9.2 30.2 493 493 A W H > S+ 0 0 2 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.951 115.1 32.1 -64.2 -49.5 20.5 -5.6 29.3 494 494 A I H > S+ 0 0 0 -3,-0.4 4,-1.1 2,-0.2 -2,-0.2 0.848 120.3 49.5 -80.9 -34.8 23.8 -4.0 30.2 495 495 A G H >X S+ 0 0 2 -4,-2.7 4,-0.7 2,-0.2 3,-0.7 0.954 112.1 50.7 -67.0 -41.6 26.1 -6.9 29.2 496 496 A G H >< S+ 0 0 0 -4,-2.3 3,-0.6 -5,-0.3 12,-0.4 0.903 114.3 43.6 -59.6 -41.2 24.3 -7.2 25.9 497 497 A N H 3< S+ 0 0 8 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.602 99.7 71.1 -82.1 -10.5 24.7 -3.5 25.2 498 498 A A H << S+ 0 0 1 -4,-1.1 -1,-0.2 -3,-0.7 -2,-0.2 0.714 78.8 97.3 -76.6 -20.9 28.4 -3.4 26.4 499 499 A E S << S- 0 0 4 -4,-0.7 9,-0.2 -3,-0.6 -28,-0.1 -0.441 84.7-105.9 -73.8 140.1 29.5 -5.3 23.3 500 500 A P - 0 0 46 0, 0.0 -1,-0.1 0, 0.0 7,-0.1 -0.291 46.1 -95.5 -61.7 146.9 30.9 -3.4 20.2 501 501 A M - 0 0 66 7,-0.2 7,-0.3 -94,-0.1 3,-0.1 -0.250 38.6-115.2 -69.7 150.6 28.5 -3.2 17.3 502 502 A V > - 0 0 23 5,-2.4 3,-2.1 1,-0.2 2,-0.5 -0.189 52.5 -61.3 -76.6 174.8 28.8 -5.8 14.4 503 503 A E T 3 S- 0 0 142 1,-0.3 -184,-2.5 -185,-0.1 -183,-0.2 -0.477 121.8 -8.3 -71.9 122.7 29.7 -5.0 10.8 504 504 A R T 3 S+ 0 0 221 -2,-0.5 -186,-0.3 1,-0.3 -1,-0.3 0.664 120.1 99.9 70.4 26.5 27.2 -2.6 9.3 505 505 A G < - 0 0 0 -3,-2.1 -1,-0.3 -188,-0.2 -188,-0.3 -0.621 69.9-134.3-124.8-171.3 24.9 -3.0 12.4 506 506 A R S S+ 0 0 45 -190,-3.7 2,-0.3 -2,-0.2 -189,-0.1 0.179 83.5 58.3-130.8 18.0 24.0 -1.2 15.6 507 507 A V S S- 0 0 5 -191,-0.7 -5,-2.4 -190,-0.1 -2,-0.1 -0.944 81.2-112.1-138.9 158.9 24.0 -4.1 18.2 508 508 A G > - 0 0 1 -12,-0.4 4,-2.5 -2,-0.3 5,-0.2 -0.137 43.6 -85.1 -84.8-171.7 26.8 -6.5 19.1 509 509 A P H > S+ 0 0 42 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.871 123.7 53.2 -66.1 -40.5 26.9 -10.2 18.5 510 510 A L H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.923 114.9 40.0 -61.4 -47.2 24.9 -11.3 21.5 511 511 A L H >>S+ 0 0 3 -15,-0.4 4,-3.3 1,-0.2 5,-0.6 0.868 108.9 60.9 -73.5 -38.0 22.0 -9.0 20.8 512 512 A A H X5S+ 0 0 0 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.864 110.8 43.4 -49.2 -38.5 22.2 -9.8 17.0 513 513 A f H X5S+ 0 0 4 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.932 115.7 44.5 -77.9 -48.5 21.6 -13.4 18.1 514 514 A L H X5S+ 0 0 0 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.949 123.3 37.0 -61.6 -47.9 18.8 -12.7 20.6 515 515 A L H X5S+ 0 0 2 -4,-3.3 4,-2.4 1,-0.2 5,-0.3 0.889 114.8 56.5 -69.8 -43.0 17.0 -10.2 18.3 516 516 A G H X< S+ 0 0 16 -4,-1.4 3,-1.6 -5,-0.3 -2,-0.2 0.955 117.2 39.5 -82.3 -60.9 7.9 -13.9 10.7 524 524 A D H 3< S+ 0 0 23 -4,-2.6 -192,-2.5 1,-0.3 -189,-0.2 0.784 116.0 53.8 -59.4 -30.0 8.0 -17.7 10.0 525 525 A G T 3< S+ 0 0 1 -4,-2.1 2,-0.6 -5,-0.2 -1,-0.3 0.154 84.2 102.4 -94.7 20.6 5.3 -18.4 12.6 526 526 A D X - 0 0 0 -3,-1.6 3,-1.2 1,-0.1 6,-0.1 -0.909 51.6-165.4-106.8 117.5 2.8 -15.9 11.2 527 527 A R T 3 S+ 0 0 29 -2,-0.6 -1,-0.1 1,-0.2 -196,-0.1 0.807 95.7 46.0 -69.7 -25.2 -0.1 -17.4 9.2 528 528 A F T 3 S+ 0 0 24 -3,-0.1 -1,-0.2 6,-0.0 -506,-0.1 0.110 74.5 146.2-104.4 22.2 -0.9 -13.9 8.0 529 529 A W X - 0 0 4 -3,-1.2 3,-2.1 -6,-0.2 6,-0.2 -0.403 58.3-121.7 -56.6 133.6 2.6 -12.9 7.1 530 530 A W T 3 S+ 0 0 14 1,-0.3 6,-0.3 5,-0.1 -1,-0.2 0.755 108.2 49.6 -51.5 -33.8 2.1 -10.7 4.1 531 531 A E T 3 S+ 0 0 73 4,-0.1 -1,-0.3 2,-0.1 -2,-0.1 0.408 81.1 113.2 -91.2 1.6 4.3 -12.7 1.7 532 532 A N S X> S- 0 0 28 -3,-2.1 3,-2.2 -202,-0.1 4,-0.5 -0.645 81.5-106.4 -75.6 121.7 2.7 -16.1 2.6 533 533 A P B 34 S+q 536 0P 92 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 -0.193 105.1 31.2 -50.8 132.2 0.9 -17.2 -0.5 534 534 A G T 34 S+ 0 0 78 2,-0.8 -4,-0.1 -4,-0.1 3,-0.1 -0.238 98.7 82.6 110.8 -42.5 -2.9 -16.8 -0.1 535 535 A V T <4 S+ 0 0 21 -3,-2.2 2,-0.3 -6,-0.2 -5,-0.1 0.945 106.4 13.0 -64.5 -50.4 -2.8 -13.8 2.1 536 536 A F B < S-q 533 0P 7 -4,-0.5 -2,-0.8 -6,-0.3 -1,-0.1 -0.868 88.0-112.4-121.5 154.8 -2.4 -11.3 -0.8 537 537 A T > - 0 0 68 -2,-0.3 4,-1.7 52,-0.1 5,-0.2 -0.177 37.3 -85.3 -86.0 179.5 -2.9 -11.9 -4.6 538 538 A E T 4 S+ 0 0 165 1,-0.2 4,-0.5 2,-0.2 3,-0.4 0.931 130.0 28.8 -40.8 -69.3 -0.5 -12.0 -7.6 539 539 A K T > S+ 0 0 152 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.610 111.6 72.5 -73.4 -16.5 -0.6 -8.2 -8.4 540 540 A Q H > S+ 0 0 17 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.901 97.7 45.6 -68.4 -43.9 -1.2 -7.3 -4.5 541 541 A R H X S+ 0 0 67 -4,-1.7 4,-1.5 -3,-0.4 -1,-0.2 0.704 109.3 58.5 -72.1 -20.2 2.3 -8.2 -3.3 542 542 A D H 4 S+ 0 0 104 -4,-0.5 -1,-0.2 -5,-0.2 -2,-0.2 0.877 106.6 44.7 -76.8 -38.2 3.7 -6.3 -6.3 543 543 A S H >< S+ 0 0 6 -4,-1.4 3,-0.9 1,-0.2 43,-0.3 0.865 114.1 52.1 -72.0 -35.0 2.0 -3.0 -5.3 544 544 A L H >< S+ 0 0 1 -4,-1.6 3,-1.6 1,-0.2 -2,-0.2 0.841 94.8 67.1 -70.5 -34.8 3.1 -3.6 -1.7 545 545 A Q T 3< S+ 0 0 95 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.529 96.6 60.8 -64.6 -1.9 6.8 -4.1 -2.4 546 546 A K T < S+ 0 0 108 -3,-0.9 -1,-0.3 -4,-0.1 -2,-0.2 0.660 77.2 112.6 -99.5 -17.3 6.9 -0.5 -3.5 547 547 A V < + 0 0 8 -3,-1.6 2,-0.3 -4,-0.3 37,-0.1 -0.088 39.3 172.0 -54.7 153.3 5.8 1.1 -0.1 548 548 A S > - 0 0 16 35,-0.1 4,-1.8 1,-0.1 5,-0.1 -0.968 46.7-112.8-155.2 163.3 8.4 3.2 1.8 549 549 A F H > S+ 0 0 7 -2,-0.3 4,-1.9 1,-0.2 5,-0.2 0.861 117.4 60.1 -72.5 -28.5 8.5 5.5 4.9 550 550 A S H > S+ 0 0 0 14,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.932 106.6 45.4 -63.1 -39.7 9.2 8.3 2.5 551 551 A R H > S+ 0 0 28 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.885 106.5 59.1 -69.5 -37.0 5.9 7.7 0.7 552 552 A L H X S+ 0 0 3 -4,-1.8 4,-1.3 1,-0.2 -1,-0.2 0.895 109.7 44.9 -54.6 -41.9 4.0 7.3 4.0 553 553 A I H X S+ 0 0 0 -4,-1.9 4,-0.6 2,-0.2 6,-0.4 0.933 111.1 53.1 -67.0 -47.7 5.0 10.8 4.9 554 554 A g H < S+ 0 0 17 -4,-2.1 3,-0.4 1,-0.2 -2,-0.2 0.864 114.2 42.0 -56.8 -39.7 4.2 12.1 1.4 555 555 A D H < S+ 0 0 40 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.723 121.9 38.7 -83.8 -18.7 0.7 10.7 1.6 556 556 A N H < S+ 0 0 9 -4,-1.3 2,-0.3 -3,-0.3 -1,-0.2 0.141 116.3 34.4-122.8 26.4 -0.0 11.7 5.2 557 557 A T S < S- 0 0 9 -4,-0.6 -164,-0.0 -3,-0.4 -289,-0.0 -0.873 81.8-107.6-157.3 178.3 1.5 15.2 5.7 558 558 A H S S+ 0 0 112 -2,-0.3 2,-0.3 -3,-0.0 -4,-0.1 -0.072 77.2 123.4-109.0 32.2 2.1 18.3 3.6 559 559 A I + 0 0 5 -6,-0.4 -2,-0.2 1,-0.1 3,-0.1 -0.672 32.5 174.4 -89.8 146.6 5.8 17.5 3.3 560 560 A T + 0 0 74 -2,-0.3 19,-1.8 1,-0.2 2,-0.5 0.298 57.7 74.3-137.3 5.9 7.1 17.2 -0.2 561 561 A K E +R 578 0Q 73 17,-0.2 17,-0.2 18,-0.1 -1,-0.2 -0.970 60.2 152.4-126.7 111.3 10.8 16.9 0.3 562 562 A V E -R 577 0Q 0 15,-1.9 15,-2.5 -2,-0.5 -12,-0.1 -0.958 44.2-108.1-138.4 156.5 11.9 13.4 1.5 563 563 A P - 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