==== 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 HYDROLASE 26-JUL-04 1WN1 . COMPND 2 MOLECULE: DIPEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR J.JEYAKANTHAN,J.TAKA,Y.KITAGUCHI,Y.SHIRO,S.YOKOYAMA,K.YUTANI . 712 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30268.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 513 72.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 117 16.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 46 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 82 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 193 27.1 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+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 0 0 0 3 3 0 0 4 0 1 1 2 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 2 2 1 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 . 11 5 1 12 0 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 ANTIPARALLEL BRIDGES PER LADDER . 2 2 0 2 4 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 M > 0 0 164 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -47.9 56.2 11.8 42.5 2 2 A R H > + 0 0 66 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.924 360.0 48.3 -53.6 -52.8 52.5 10.9 42.6 3 3 A L H > S+ 0 0 8 26,-0.5 4,-2.9 1,-0.2 -1,-0.2 0.881 113.0 48.8 -58.8 -39.0 51.3 13.6 40.3 4 4 A E H > S+ 0 0 101 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.863 111.2 49.0 -70.9 -35.3 54.1 12.8 37.8 5 5 A K H X S+ 0 0 109 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.889 112.8 49.4 -68.8 -37.3 53.3 9.0 37.9 6 6 A F H X S+ 0 0 0 -4,-2.7 4,-2.8 -5,-0.2 -2,-0.2 0.942 110.9 49.0 -63.9 -48.6 49.6 10.0 37.4 7 7 A I H X S+ 0 0 18 -4,-2.9 4,-1.4 1,-0.2 -2,-0.2 0.923 111.9 49.2 -58.1 -42.9 50.5 12.2 34.5 8 8 A H H X S+ 0 0 123 -4,-2.5 4,-2.1 1,-0.2 3,-0.3 0.933 111.7 49.0 -60.9 -45.4 52.6 9.4 33.0 9 9 A L H X S+ 0 0 14 -4,-2.5 4,-2.8 1,-0.2 6,-0.3 0.873 102.3 62.7 -62.6 -39.3 49.7 7.0 33.5 10 10 A L H <>S+ 0 0 0 -4,-2.8 5,-2.0 1,-0.2 4,-0.3 0.899 109.9 40.8 -51.8 -44.2 47.3 9.4 31.9 11 11 A G H ><5S+ 0 0 43 -4,-1.4 3,-1.2 -3,-0.3 -2,-0.2 0.918 112.8 51.0 -73.2 -46.1 49.2 9.1 28.6 12 12 A E H 3<5S+ 0 0 121 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.939 111.7 49.9 -57.2 -46.2 49.9 5.4 28.7 13 13 A R T 3<5S- 0 0 108 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.482 120.5-103.9 -74.9 -4.7 46.2 4.7 29.2 14 14 A G T < 5S+ 0 0 42 -3,-1.2 2,-0.3 -4,-0.3 81,-0.2 0.441 72.4 133.9 101.0 -0.9 45.0 7.0 26.4 15 15 A F < - 0 0 26 -5,-2.0 -1,-0.3 -6,-0.3 81,-0.2 -0.601 45.3-154.6 -91.4 145.9 43.7 10.1 28.2 16 16 A D S S- 0 0 67 79,-2.0 32,-2.9 -2,-0.3 33,-0.4 0.747 70.0 -39.9 -84.9 -26.7 44.3 13.7 27.2 17 17 A G E -Ab 47 96A 0 78,-1.3 80,-2.1 30,-0.3 2,-0.3 -0.971 50.4-118.8-176.8-171.6 43.8 15.1 30.7 18 18 A A E -Ab 46 97A 0 28,-2.2 28,-2.4 -2,-0.3 2,-0.5 -0.993 3.8-152.7-154.6 146.6 41.9 15.2 34.0 19 19 A L E -Ab 45 98A 2 78,-2.6 80,-1.8 -2,-0.3 2,-0.6 -0.990 20.8-168.4-123.8 119.0 39.8 17.6 36.0 20 20 A I E -A 44 0A 0 24,-1.9 24,-1.8 -2,-0.5 3,-0.1 -0.937 6.5-158.6-119.5 115.2 39.8 16.9 39.7 21 21 A S - 0 0 3 -2,-0.6 5,-0.4 22,-0.2 22,-0.2 -0.415 46.6 -69.5 -81.6 164.1 37.5 18.5 42.2 22 22 A P S S+ 0 0 24 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.101 86.4 88.3 -53.1 151.1 38.4 18.6 45.9 23 23 A G S > S- 0 0 36 9,-0.3 4,-2.1 1,-0.1 5,-0.1 -0.934 92.4 -44.3 148.9-170.7 38.4 15.3 47.8 24 24 A T H > S+ 0 0 27 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.880 130.2 52.4 -61.0 -40.6 40.7 12.4 48.6 25 25 A N H > S+ 0 0 7 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.934 108.8 49.1 -62.5 -45.7 42.1 12.1 45.1 26 26 A L H > S+ 0 0 0 -5,-0.4 4,-2.4 1,-0.2 6,-0.6 0.930 114.4 47.9 -59.2 -42.7 43.1 15.8 44.9 27 27 A Y H X S+ 0 0 77 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.935 107.7 53.5 -62.5 -48.7 44.7 15.3 48.3 28 28 A Y H < S+ 0 0 14 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.901 117.1 39.4 -51.1 -45.8 46.6 12.1 47.3 29 29 A L H < S+ 0 0 12 -4,-2.1 -26,-0.5 -5,-0.2 -1,-0.2 0.825 136.0 10.3 -75.3 -37.2 48.0 13.9 44.3 30 30 A T H < S- 0 0 31 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.594 83.6-121.1-125.8 -12.3 48.8 17.3 45.7 31 31 A G < + 0 0 47 -4,-2.8 2,-0.3 -5,-0.4 -4,-0.2 0.522 66.6 143.0 78.6 2.9 48.5 17.5 49.5 32 32 A L - 0 0 9 -6,-0.6 2,-0.4 -5,-0.1 -1,-0.3 -0.602 27.2-178.9 -80.2 137.9 45.9 20.2 48.9 33 33 A R - 0 0 128 -2,-0.3 2,-0.5 30,-0.3 -9,-0.0 -0.979 8.6-166.8-140.1 121.9 42.8 20.2 51.2 34 34 A L - 0 0 17 -2,-0.4 3,-0.5 -11,-0.1 2,-0.3 -0.947 18.6-135.7-114.5 119.0 40.0 22.7 50.9 35 35 A H S S- 0 0 32 -2,-0.5 -2,-0.0 1,-0.2 0, 0.0 -0.569 76.0 -19.2 -76.9 129.1 37.5 23.0 53.8 36 36 A E + 0 0 93 -2,-0.3 -1,-0.2 1,-0.1 3,-0.1 0.908 68.3 173.7 36.6 74.1 33.8 23.2 52.9 37 37 A V > + 0 0 16 -3,-0.5 3,-2.0 1,-0.2 -1,-0.1 0.784 15.5 170.7 -74.1 -31.0 34.2 24.2 49.2 38 38 A G T 3 - 0 0 49 1,-0.3 -1,-0.2 3,-0.0 -2,-0.0 -0.324 65.8 -15.2 58.5-124.6 30.4 23.8 48.8 39 39 A E T 3 S+ 0 0 96 -3,-0.1 2,-0.6 -2,-0.1 -1,-0.3 0.448 102.0 115.5 -92.8 -1.8 29.3 25.2 45.4 40 40 A R S < S- 0 0 55 -3,-2.0 2,-0.1 1,-0.1 34,-0.0 -0.602 75.0-115.0 -77.3 115.4 32.4 27.2 44.6 41 41 A L + 0 0 2 -2,-0.6 2,-0.4 15,-0.1 -1,-0.1 -0.246 42.9 170.2 -50.3 115.3 34.2 25.7 41.5 42 42 A A + 0 0 0 14,-0.2 2,-0.4 -2,-0.1 14,-0.2 -0.949 10.5 166.0-134.4 110.4 37.6 24.4 42.6 43 43 A I E - C 0 55A 1 12,-2.4 12,-3.4 -2,-0.4 2,-0.7 -0.981 34.6-151.6-138.4 139.0 39.4 22.3 40.0 44 44 A L E -AC 20 54A 0 -24,-1.8 -24,-1.9 -2,-0.4 2,-0.4 -0.907 22.4-160.7-104.2 106.9 42.8 20.9 39.2 45 45 A A E -AC 19 53A 1 8,-2.4 8,-2.0 -2,-0.7 2,-0.4 -0.751 10.9-175.7 -88.6 135.1 43.2 20.6 35.4 46 46 A V E -AC 18 52A 0 -28,-2.4 -28,-2.2 -2,-0.4 2,-0.3 -0.988 11.0-155.0-136.6 124.6 45.9 18.2 34.4 47 47 A S E > -A 17 0A 2 4,-2.6 3,-1.6 -2,-0.4 -30,-0.3 -0.680 26.4-124.8 -96.7 153.8 47.1 17.6 30.8 48 48 A A T 3 S+ 0 0 26 -32,-2.9 -37,-0.2 1,-0.3 -31,-0.1 0.665 107.6 72.9 -67.7 -15.3 48.7 14.3 29.7 49 49 A E T 3 S- 0 0 175 -33,-0.4 -1,-0.3 40,-0.2 3,-0.1 0.444 121.0 -99.8 -78.4 -2.9 51.5 16.6 28.5 50 50 A G S < S+ 0 0 32 -3,-1.6 2,-0.2 1,-0.3 -2,-0.1 0.298 83.5 123.9 103.5 -10.7 52.7 17.3 32.0 51 51 A D + 0 0 86 38,-0.2 -4,-2.6 -44,-0.1 -1,-0.3 -0.546 33.1 173.6 -84.2 147.4 51.1 20.7 32.5 52 52 A Y E -C 46 0A 66 -6,-0.2 2,-0.3 -2,-0.2 -6,-0.2 -0.986 13.9-177.5-158.4 148.4 48.7 21.5 35.4 53 53 A R E -C 45 0A 70 -8,-2.0 -8,-2.4 -2,-0.3 2,-0.6 -0.993 18.2-141.0-143.2 146.5 46.8 24.4 37.0 54 54 A F E -Cd 44 69A 0 14,-1.9 16,-2.2 -2,-0.3 2,-0.6 -0.928 11.1-162.1-116.4 113.3 44.5 24.7 40.0 55 55 A L E +Cd 43 70A 0 -12,-3.4 -12,-2.4 -2,-0.6 16,-0.2 -0.826 26.1 157.7 -92.1 121.6 41.5 26.9 39.8 56 56 A A E - d 0 71A 0 14,-1.9 16,-1.4 -2,-0.6 -14,-0.2 -0.985 48.2 -92.5-143.7 152.2 40.2 27.8 43.3 57 57 A P E > - d 0 72A 1 0, 0.0 3,-2.2 0, 0.0 16,-0.2 -0.409 45.1-112.6 -64.0 141.6 38.0 30.5 44.8 58 58 A S G > S+ 0 0 20 14,-3.6 3,-1.4 1,-0.3 4,-0.2 0.648 108.7 76.2 -49.5 -19.3 40.2 33.3 46.1 59 59 A L G 3 S+ 0 0 54 13,-0.3 -1,-0.3 1,-0.3 3,-0.2 0.661 91.1 53.4 -70.2 -15.2 39.3 32.5 49.7 60 60 A Y G <> S+ 0 0 20 -3,-2.2 4,-1.3 1,-0.2 -1,-0.3 0.276 75.0 118.8-100.7 8.6 41.7 29.4 49.8 61 61 A E T <4 S+ 0 0 102 -3,-1.4 3,-0.5 1,-0.2 -1,-0.2 0.849 77.6 37.4 -40.7 -55.2 44.6 31.5 48.6 62 62 A N T >4 S+ 0 0 144 -3,-0.2 3,-1.5 1,-0.2 -1,-0.2 0.863 110.6 59.6 -72.9 -34.8 46.8 30.9 51.6 63 63 A V T 34 S+ 0 0 83 1,-0.3 -30,-0.3 -4,-0.2 -1,-0.2 0.701 99.9 58.4 -67.1 -17.9 45.9 27.3 52.2 64 64 A V T >< S- 0 0 2 -4,-1.3 3,-2.3 -3,-0.5 -1,-0.3 0.340 83.4-179.0 -93.6 6.6 47.1 26.4 48.7 65 65 A N T < - 0 0 122 -3,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.064 63.6 -9.2 35.5-122.0 50.7 27.7 49.4 66 66 A N T 3 S+ 0 0 160 2,-0.1 -1,-0.3 -4,-0.0 -4,-0.0 0.137 95.7 129.4 -92.3 19.4 53.1 27.4 46.4 67 67 A F S < S- 0 0 35 -3,-2.3 2,-0.5 1,-0.1 -13,-0.1 -0.583 74.5-100.0 -78.6 133.4 50.8 25.3 44.2 68 68 A P + 0 0 56 0, 0.0 -14,-1.9 0, 0.0 2,-0.3 -0.303 64.7 166.5 -52.0 104.6 50.3 26.7 40.6 69 69 A A E -d 54 0A 26 -2,-0.5 2,-0.4 -16,-0.2 -14,-0.2 -0.924 40.8-161.1-134.3 156.6 47.0 28.4 41.0 70 70 A T E -d 55 0A 29 -16,-2.2 -14,-1.9 -2,-0.3 2,-0.3 -1.000 26.4-155.8-125.9 123.1 44.5 30.8 39.4 71 71 A F E -d 56 0A 40 -2,-0.4 2,-0.3 -16,-0.2 -16,-0.1 -0.781 5.3-159.1-107.3 151.3 42.0 32.3 41.9 72 72 A W E -d 57 0A 14 -16,-1.4 -14,-3.6 -2,-0.3 2,-0.4 -0.903 12.0-132.0-125.4 155.0 38.5 33.7 41.2 73 73 A H > - 0 0 103 -2,-0.3 3,-2.1 -16,-0.2 -2,-0.0 -0.846 34.3 -93.4-110.2 142.9 36.3 36.0 43.2 74 74 A D T 3 S+ 0 0 64 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 -0.277 114.9 44.2 -51.7 128.4 32.7 35.7 44.1 75 75 A G T 3 S+ 0 0 60 1,-0.5 -1,-0.3 587,-0.0 2,-0.2 0.177 96.4 93.2 117.7 -14.3 30.8 37.6 41.3 76 76 A E S < S- 0 0 91 -3,-2.1 -1,-0.5 3,-0.0 3,-0.1 -0.458 83.4-106.2-101.2 175.7 32.8 36.2 38.4 77 77 A N >> - 0 0 94 -2,-0.2 4,-1.4 1,-0.2 3,-1.0 -0.835 29.1-173.4-105.0 94.8 32.2 33.3 36.1 78 78 A P H 3> S+ 0 0 13 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.731 85.0 62.4 -61.0 -19.9 34.8 30.6 37.3 79 79 A Y H 3> S+ 0 0 50 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.883 99.8 53.4 -71.4 -36.2 33.7 28.5 34.3 80 80 A A H <> S+ 0 0 40 -3,-1.0 4,-1.5 1,-0.2 -1,-0.2 0.909 110.7 46.5 -62.2 -41.6 35.0 31.3 32.0 81 81 A K H X S+ 0 0 48 -4,-1.4 4,-1.4 1,-0.2 -1,-0.2 0.731 108.3 55.2 -73.4 -24.1 38.3 31.2 33.8 82 82 A L H X S+ 0 0 0 -4,-1.3 4,-2.6 -5,-0.2 5,-0.3 0.861 103.5 57.4 -74.3 -35.6 38.5 27.4 33.6 83 83 A R H X S+ 0 0 123 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.938 105.2 48.8 -57.6 -50.1 38.0 27.7 29.8 84 84 A E H X S+ 0 0 121 -4,-1.5 4,-2.1 1,-0.2 -1,-0.2 0.894 112.1 50.8 -56.4 -42.3 41.1 29.9 29.5 85 85 A I H X S+ 0 0 4 -4,-1.4 4,-1.6 1,-0.2 -2,-0.2 0.886 109.2 47.7 -64.6 -42.6 43.0 27.3 31.6 86 86 A L H <>S+ 0 0 2 -4,-2.6 5,-2.8 1,-0.2 4,-0.5 0.819 109.4 59.3 -68.4 -27.5 41.9 24.4 29.5 87 87 A E H ><5S+ 0 0 141 -4,-1.9 3,-0.9 -5,-0.3 -2,-0.2 0.975 109.0 39.0 -62.7 -57.1 42.9 26.5 26.5 88 88 A E H 3<5S+ 0 0 107 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.727 115.1 51.9 -68.9 -24.8 46.6 27.0 27.6 89 89 A L T 3<5S- 0 0 10 -4,-1.6 -1,-0.2 -5,-0.2 -40,-0.2 0.515 113.4-119.1 -88.8 -5.6 47.0 23.4 28.8 90 90 A G T < 5S+ 0 0 61 -3,-0.9 -3,-0.2 -4,-0.5 -2,-0.1 0.828 80.2 112.5 74.1 35.3 45.7 22.2 25.5 91 91 A I < + 0 0 4 -5,-2.8 -4,-0.2 -6,-0.2 -3,-0.1 -0.294 18.7 122.5-134.0 53.6 42.6 20.3 26.8 92 92 A S S S+ 0 0 51 -6,-0.2 23,-0.5 -5,-0.2 2,-0.3 0.269 88.7 16.0 -95.9 15.3 39.5 22.1 25.7 93 93 A K S S+ 0 0 151 21,-0.2 2,-0.2 -7,-0.1 23,-0.2 -0.946 90.5 66.7-174.9 154.3 38.5 18.8 24.0 94 94 A G E S- e 0 116A 22 21,-1.6 23,-1.3 -2,-0.3 2,-0.7 -0.711 88.1 -24.2 122.5-173.9 39.4 15.1 24.1 95 95 A R E - 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0 0 9 181,-2.8 2,-0.1 -2,-0.8 -3,-0.1 -0.595 8.0-137.4 -80.9 137.7 50.5 2.3 49.7 133 133 A D > - 0 0 65 -2,-0.3 4,-2.1 1,-0.1 3,-0.3 -0.371 37.0 -87.4 -85.5 171.9 54.0 3.6 50.2 134 134 A K H > S+ 0 0 168 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.826 125.8 46.6 -46.8 -47.7 56.0 3.4 53.5 135 135 A E H > S+ 0 0 104 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.862 108.3 55.8 -68.5 -37.3 54.6 6.5 55.1 136 136 A E H > S+ 0 0 6 -3,-0.3 4,-2.3 1,-0.2 5,-0.2 0.938 108.2 48.3 -61.4 -44.2 51.0 5.8 54.1 137 137 A V H X S+ 0 0 15 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.892 108.7 55.7 -62.1 -38.1 51.3 2.4 56.0 138 138 A K H X S+ 0 0 111 -4,-1.7 4,-1.8 -5,-0.2 -2,-0.2 0.937 108.5 47.1 -58.4 -47.1 52.8 4.3 58.9 139 139 A M H X S+ 0 0 30 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.912 113.1 47.0 -60.5 -47.5 49.7 6.6 59.1 140 140 A M H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.821 107.6 59.7 -65.1 -30.3 47.3 3.8 58.8 141 141 A E H X S+ 0 0 66 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.908 108.0 43.1 -65.2 -41.3 49.3 2.0 61.5 142 142 A H H X S+ 0 0 69 -4,-1.8 4,-2.8 2,-0.2 5,-0.2 0.938 112.5 54.1 -69.2 -42.8 48.7 4.8 63.9 143 143 A A H X S+ 0 0 0 -4,-2.5 4,-1.4 1,-0.2 75,-0.2 0.881 110.6 46.8 -56.3 -39.8 45.1 4.9 62.8 144 144 A S H X S+ 0 0 0 -4,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.916 109.9 51.3 -72.0 -42.0 44.8 1.2 63.6 145 145 A R H X S+ 0 0 104 -4,-2.3 4,-2.7 1,-0.2 3,-0.4 0.921 108.1 53.3 -61.5 -40.6 46.5 1.5 67.0 146 146 A I H X S+ 0 0 3 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.887 105.3 54.9 -60.4 -35.3 44.1 4.3 67.9 147 147 A A H X S+ 0 0 1 -4,-1.4 4,-1.3 -5,-0.2 -1,-0.2 0.846 109.6 47.4 -65.5 -31.1 41.2 2.0 67.0 148 148 A D H X S+ 0 0 4 -4,-1.5 4,-2.5 -3,-0.4 5,-0.2 0.907 108.2 53.4 -74.7 -43.3 42.7 -0.6 69.5 149 149 A K H X S+ 0 0 72 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.939 108.2 52.5 -56.5 -44.6 43.1 2.1 72.2 150 150 A V H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.896 107.1 52.0 -59.4 -39.6 39.4 2.9 71.7 151 151 A F H X S+ 0 0 7 -4,-1.3 4,-1.7 2,-0.2 -2,-0.2 0.969 109.7 47.7 -60.6 -53.5 38.6 -0.8 72.1 152 152 A E H < S+ 0 0 100 -4,-2.5 4,-0.4 1,-0.2 3,-0.2 0.904 111.8 51.8 -53.5 -42.9 40.4 -1.1 75.4 153 153 A E H >< S+ 0 0 90 -4,-2.6 3,-1.9 -5,-0.2 4,-0.3 0.941 104.6 55.7 -61.7 -45.8 38.8 2.1 76.6 154 154 A I H >< S+ 0 0 0 -4,-2.6 3,-1.5 1,-0.3 -1,-0.2 0.836 97.5 64.3 -55.2 -36.4 35.3 0.7 75.7 155 155 A L T 3< S+ 0 0 44 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.613 97.6 55.9 -66.2 -12.4 35.8 -2.4 77.9 156 156 A T T < S+ 0 0 101 -3,-1.9 -1,-0.3 -4,-0.4 2,-0.2 0.464 87.8 96.0 -99.5 -0.6 36.0 -0.2 81.1 157 157 A W S < S- 0 0 61 -3,-1.5 2,-1.0 -4,-0.3 -3,-0.0 -0.611 80.5-117.1 -90.4 150.1 32.7 1.5 80.6 158 158 A D - 0 0 120 -2,-0.2 4,-0.1 1,-0.2 -2,-0.1 -0.766 34.0-180.0 -86.9 102.8 29.4 0.3 82.3 159 159 A L > + 0 0 2 -2,-1.0 3,-1.4 197,-0.1 47,-0.3 0.586 37.2 118.5 -81.3 -14.4 27.2 -0.6 79.3 160 160 A I T 3 S+ 0 0 66 1,-0.3 47,-0.2 45,-0.1 3,-0.1 -0.321 90.0 1.3 -58.7 129.4 24.1 -1.7 81.2 161 161 A G T 3 S+ 0 0 19 45,-3.5 2,-0.3 1,-0.2 -1,-0.3 0.205 96.3 135.1 79.7 -18.1 21.1 0.4 80.3 162 162 A M < - 0 0 24 -3,-1.4 44,-2.3 44,-0.2 -1,-0.2 -0.464 55.8-125.2 -67.5 126.8 23.2 2.5 77.8 163 163 A K B > -G 205 0C 58 -2,-0.3 4,-2.2 42,-0.2 42,-0.2 -0.372 16.1-118.5 -71.7 152.4 21.4 3.1 74.5 164 164 A E H > S+ 0 0 0 40,-1.8 4,-2.8 1,-0.2 5,-0.2 0.928 116.4 52.3 -54.5 -49.6 23.1 2.1 71.3 165 165 A R H > S+ 0 0 113 37,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.886 109.2 51.9 -54.6 -40.7 23.0 5.7 70.1 166 166 A E H > S+ 0 0 69 36,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.889 109.9 45.6 -67.2 -41.6 24.6 6.7 73.3 167 167 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.944 111.5 53.9 -67.4 -44.2 27.5 4.2 73.1 168 168 A A H X S+ 0 0 10 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.906 108.0 51.2 -53.7 -44.5 28.1 5.1 69.5 169 169 A L H X S+ 0 0 60 -4,-2.1 4,-3.0 -5,-0.2 -1,-0.2 0.926 108.9 49.4 -60.3 -46.9 28.3 8.8 70.5 170 170 A K H X S+ 0 0 104 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.859 111.5 49.3 -61.2 -37.2 30.9 8.0 73.2 171 171 A I H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.938 110.9 51.4 -67.5 -44.0 33.0 6.1 70.7 172 172 A E H X S+ 0 0 15 -4,-2.7 4,-2.2 -5,-0.2 -2,-0.2 0.958 112.6 44.4 -55.8 -54.6 32.7 9.0 68.3 173 173 A L H X S+ 0 0 52 -4,-3.0 4,-1.8 1,-0.2 -1,-0.2 0.898 112.0 51.2 -60.8 -42.2 33.9 11.5 70.9 174 174 A L H X S+ 0 0 21 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.913 111.2 49.6 -63.3 -37.8 36.7 9.3 72.2 175 175 A I H X S+ 0 0 0 -4,-2.4 4,-1.4 1,-0.2 6,-0.4 0.884 109.8 50.3 -66.7 -38.0 37.9 8.9 68.6 176 176 A R H < S+ 0 0 72 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.795 111.4 50.1 -71.7 -23.3 37.7 12.6 67.9 177 177 A E H < S+ 0 0 153 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.957 116.2 40.1 -74.1 -51.8 39.8 13.2 71.1 178 178 A L H < S+ 0 0 54 -4,-2.6 2,-0.2 -5,-0.2 -2,-0.2 0.542 124.3 10.8 -75.8 -12.6 42.5 10.6 70.2 179 179 A S S < S- 0 0 13 -4,-1.4 41,-0.2 -5,-0.1 3,-0.1 -0.711 93.1 -73.1-147.6-163.0 42.8 11.4 66.4 180 180 A D S S- 0 0 99 39,-2.3 2,-0.2 1,-0.3 40,-0.2 0.637 94.8 -69.1 -79.8 -12.4 42.0 13.6 63.6 181 181 A G E -H 219 0D 12 38,-0.6 38,-1.4 -6,-0.4 -1,-0.3 -0.803 63.9 -46.7 146.6 171.3 38.4 12.4 63.5 182 182 A I E -H 218 0D 46 -2,-0.2 36,-0.2 36,-0.2 3,-0.1 -0.388 33.8-146.5 -69.9 149.4 36.0 9.5 62.8 183 183 A A S S- 0 0 20 34,-2.0 2,-0.3 1,-0.4 113,-0.2 0.751 82.9 -22.3 -83.7 -26.8 36.4 7.6 59.5 184 184 A F S S- 0 0 39 33,-0.5 33,-0.4 112,-0.1 -1,-0.4 -0.931 96.3 -58.9-169.5 169.9 32.6 7.1 59.4 185 185 A E - 0 0 102 -2,-0.3 -16,-0.1 -3,-0.1 -17,-0.0 -0.453 61.8-111.6 -68.0 124.7 29.8 7.1 61.9 186 186 A P - 0 0 6 0, 0.0 2,-0.4 0, 0.0 30,-0.2 -0.128 29.1-143.0 -53.6 148.6 30.3 4.5 64.6 187 187 A I E +J 215 0E 35 28,-3.0 28,-2.3 13,-0.1 2,-0.4 -0.965 19.2 179.4-120.5 133.6 27.9 1.6 64.6 188 188 A V E +J 214 0E 0 -2,-0.4 2,-0.5 26,-0.2 14,-0.3 -0.976 3.5 178.1-133.1 115.9 26.6 -0.2 67.7 189 189 A A E -J 213 0E 3 24,-1.6 24,-2.7 -2,-0.4 2,-0.3 -0.973 11.9-166.1-123.5 116.2 24.2 -3.1 67.1 190 190 A S E > -J 212 0E 0 -2,-0.5 3,-2.4 22,-0.2 4,-0.3 -0.772 47.3 -30.7-109.1 147.9 22.9 -4.8 70.2 191 191 A G G > S- 0 0 4 20,-2.7 3,-0.9 -2,-0.3 138,-0.2 -0.302 132.6 -1.7 54.8-121.4 21.2 -8.1 70.8 192 192 A E G > S+ 0 0 86 1,-0.2 3,-1.2 2,-0.2 134,-0.3 0.581 124.8 70.6 -78.4 -11.9 19.0 -8.9 67.8 193 193 A N G X S+ 0 0 44 -3,-2.4 3,-1.5 1,-0.2 -1,-0.2 0.711 82.3 75.8 -75.5 -16.7 19.9 -5.7 66.0 194 194 A A G < S+ 0 0 1 -3,-0.9 -1,-0.2 1,-0.3 -2,-0.2 0.572 81.5 71.1 -68.0 -7.9 23.3 -7.3 65.5 195 195 A A G < S+ 0 0 14 -3,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.758 83.8 74.0 -79.4 -27.6 21.6 -9.4 62.9 196 196 A N X - 0 0 85 -3,-1.5 3,-2.5 -4,-0.2 -1,-0.1 -0.787 65.9-162.9 -93.8 106.6 21.3 -6.4 60.5 197 197 A P T 3 S+ 0 0 22 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.806 95.1 47.3 -53.9 -31.6 24.8 -5.6 59.0 198 198 A H T 3 S+ 0 0 127 -3,-0.1 -2,-0.0 2,-0.1 -3,-0.0 0.153 82.5 145.9 -98.7 19.3 23.4 -2.2 58.1 199 199 A H < - 0 0 27 -3,-2.5 -11,-0.1 -6,-0.2 -6,-0.0 -0.256 41.0-144.7 -57.5 141.3 21.8 -1.6 61.4 200 200 A E - 0 0 97 -13,-0.1 -35,-0.1 1,-0.0 -13,-0.1 -0.949 31.7-101.2-113.1 114.3 21.9 2.1 62.4 201 201 A P + 0 0 28 0, 0.0 -12,-0.1 0, 0.0 2,-0.1 0.008 55.2 169.6 -36.4 119.6 22.4 2.7 66.2 202 202 A G - 0 0 22 -14,-0.3 -37,-2.8 2,-0.1 -36,-0.3 -0.180 48.5 -69.5-116.4-151.6 19.1 3.5 67.8 203 203 A E S S+ 0 0 102 -39,-0.2 2,-0.1 -40,-0.1 -40,-0.0 0.388 77.3 130.8 -90.3 1.7 17.4 3.9 71.2 204 204 A R - 0 0 37 -41,-0.1 -40,-1.8 1,-0.1 2,-0.4 -0.358 57.8-127.2 -59.3 129.6 17.5 0.2 72.2 205 205 A K B -G 163 0C 102 -42,-0.2 2,-0.3 -41,-0.1 -42,-0.2 -0.662 17.3-121.7 -84.2 132.9 19.0 -0.2 75.7 206 206 A I + 0 0 0 -44,-2.3 -45,-3.5 -2,-0.4 2,-0.3 -0.554 42.3 170.5 -73.5 130.2 21.9 -2.5 76.2 207 207 A R > - 0 0 119 -2,-0.3 3,-1.2 -47,-0.2 26,-0.2 -0.830 39.9 -71.9-135.9 169.6 21.0 -5.2 78.7 208 208 A K T 3 S+ 0 0 136 -2,-0.3 26,-0.2 1,-0.2 3,-0.1 -0.285 116.3 38.1 -63.5 152.1 22.5 -8.5 80.0 209 209 A G T 3 S+ 0 0 37 24,-2.9 28,-0.4 1,-0.3 2,-0.4 0.431 92.1 128.3 85.1 -1.4 22.3 -11.4 77.6 210 210 A D < - 0 0 12 -3,-1.2 23,-2.4 23,-0.4 2,-0.4 -0.721 50.0-152.1 -93.3 135.7 23.1 -9.0 74.8 211 211 A I E - K 0 232E 1 -2,-0.4 -20,-2.7 21,-0.2 2,-0.4 -0.806 18.9-154.8 -99.0 145.8 25.8 -9.5 72.2 212 212 A I E -JK 190 231E 0 19,-2.6 19,-2.2 -2,-0.4 2,-0.6 -0.968 10.7-149.6-133.6 123.0 27.1 -6.2 70.8 213 213 A I E -JK 189 230E 2 -24,-2.7 -24,-1.6 -2,-0.4 2,-0.6 -0.771 13.6-162.6 -89.5 123.0 28.8 -5.4 67.5 214 214 A L E +JK 188 229E 0 15,-3.0 15,-2.1 -2,-0.6 2,-0.4 -0.930 15.9 168.7-110.6 112.7 31.2 -2.5 67.7 215 215 A D E +JK 187 228E 15 -28,-2.3 -28,-3.0 -2,-0.6 2,-0.3 -0.949 18.1 123.7-129.7 112.0 32.2 -1.1 64.3 216 216 A Y E - K 0 227E 0 11,-1.5 11,-2.2 -2,-0.4 2,-0.3 -0.929 32.1-155.5-155.4 173.1 34.1 2.2 64.1 217 217 A G - 0 0 0 -33,-0.4 -34,-2.0 -2,-0.3 -33,-0.5 -0.994 8.0-136.2-157.7 156.6 37.2 3.7 62.6 218 218 A A E -H 182 0D 0 -2,-0.3 7,-1.7 -36,-0.2 2,-0.4 -0.700 10.2-137.7-114.0 166.5 39.7 6.6 63.1 219 219 A R E -HI 181 224D 85 -38,-1.4 -39,-2.3 -2,-0.2 -38,-0.6 -0.988 16.1-178.1-124.3 131.3 41.5 9.0 60.8 220 220 A W E > S- I 0 223D 66 3,-2.4 3,-2.1 -2,-0.4 -77,-0.2 -0.940 76.9 -27.1-133.3 109.4 45.2 10.0 61.1 221 221 A K T 3 S- 0 0 127 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.919 128.6 -47.4 52.3 45.8 46.5 12.6 58.7 222 222 A G T 3 S+ 0 0 15 1,-0.2 2,-0.4 -83,-0.1 -1,-0.3 0.108 114.7 115.4 87.2 -23.1 43.9 11.5 56.2 223 223 A Y E < -I 220 0D 10 -3,-2.1 -3,-2.4 69,-0.0 71,-0.2 -0.668 54.3-138.1 -90.3 135.4 44.5 7.7 56.5 224 224 A C E -I 219 0D 3 69,-3.0 2,-0.3 -2,-0.4 -5,-0.2 -0.478 14.6-163.9 -94.2 158.0 41.7 5.4 57.9 225 225 A S - 0 0 0 -7,-1.7 2,-0.3 -82,-0.2 -42,-0.1 -0.927 8.4-169.4-127.8 150.2 41.4 2.5 60.2 226 226 A D + 0 0 6 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.849 14.7 168.5-147.7 105.1 38.3 0.3 60.2 227 227 A I E -K 216 0E 0 -11,-2.2 -11,-1.5 -2,-0.3 2,-0.3 -0.806 15.4-168.7-120.2 158.9 37.9 -2.2 63.0 228 228 A T E +KL 215 333E 0 105,-1.2 105,-2.4 -2,-0.3 2,-0.3 -0.972 9.1 171.2-148.3 130.8 35.1 -4.4 64.3 229 229 A R E -K 214 0E 1 -15,-2.1 -15,-3.0 -2,-0.3 2,-0.5 -0.979 18.9-147.4-138.7 148.7 34.9 -6.4 67.5 230 230 A T E +K 213 0E 1 -2,-0.3 124,-0.5 -17,-0.2 2,-0.2 -0.980 20.6 177.9-122.9 126.4 31.9 -8.3 69.0 231 231 A I E -K 212 0E 3 -19,-2.2 -19,-2.6 -2,-0.5 2,-0.4 -0.688 19.0-133.8-120.8 174.7 31.5 -8.6 72.8 232 232 A G E -Km 211 355E 0 122,-2.5 124,-2.8 -21,-0.2 2,-0.6 -0.993 6.5-145.0-133.8 139.5 28.9 -10.1 75.2 233 233 A L S S- 0 0 4 -23,-2.4 -24,-2.9 -2,-0.4 -23,-0.4 -0.903 73.1 -30.6-104.0 114.5 27.4 -8.6 78.4 234 234 A G S S- 0 0 10 -2,-0.6 2,-0.5 -26,-0.2 122,-0.1 -0.370 120.4 -16.9 71.8-160.4 26.8 -11.2 81.0 235 235 A E S S- 0 0 141 121,-0.1 2,-0.1 120,-0.1 -2,-0.1 -0.665 70.4-151.4 -88.7 128.7 26.1 -14.7 79.7 236 236 A L - 0 0 14 -2,-0.5 2,-0.2 1,-0.1 -26,-0.1 -0.370 32.8 -80.1 -88.3 166.7 25.1 -15.1 76.0 237 237 A D > - 0 0 46 -28,-0.4 4,-1.6 1,-0.1 3,-0.5 -0.480 41.8-126.0 -64.9 129.5 22.9 -17.6 74.2 238 238 A E H > S+ 0 0 134 1,-0.2 4,-1.3 2,-0.2 5,-0.2 0.791 108.7 62.6 -51.3 -32.6 25.1 -20.7 73.6 239 239 A R H >> S+ 0 0 140 1,-0.2 4,-2.4 2,-0.2 3,-1.1 0.982 104.7 46.6 -55.9 -56.7 24.3 -20.6 69.9 240 240 A L H 3> S+ 0 0 4 -3,-0.5 4,-2.0 1,-0.3 -2,-0.2 0.866 104.3 61.4 -52.5 -43.4 26.0 -17.2 69.7 241 241 A V H 3X S+ 0 0 52 -4,-1.6 4,-0.8 1,-0.2 -1,-0.3 0.826 112.0 38.7 -56.6 -32.3 29.0 -18.3 71.6 242 242 A K H < S+ 0 0 33 -4,-1.6 3,-0.6 -5,-0.2 88,-0.3 0.893 106.7 51.1 -68.7 -41.0 44.3 -13.7 57.3 256 256 A K H 3< S+ 0 0 141 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.851 106.6 55.7 -63.6 -35.8 46.7 -16.7 57.1 257 257 A A H 3< S+ 0 0 18 -4,-2.0 2,-0.3 -5,-0.1 -1,-0.2 0.680 75.8 115.4 -72.3 -19.8 46.0 -17.0 53.3 258 258 A V << + 0 0 2 -4,-0.7 85,-1.2 -3,-0.6 2,-0.3 -0.358 42.0 145.8 -58.0 116.0 47.0 -13.4 52.6 259 259 A R B > -N 342 0F 146 -2,-0.3 3,-1.3 83,-0.2 2,-0.3 -0.988 55.8 -93.5-151.4 152.0 50.1 -13.8 50.5 260 260 A E T 3 S+ 0 0 78 81,-1.6 51,-0.2 -2,-0.3 3,-0.1 -0.527 109.0 27.6 -71.0 131.2 51.7 -11.9 47.6 261 261 A G T 3 S+ 0 0 48 49,-3.0 2,-0.3 1,-0.3 -1,-0.2 0.304 89.6 114.6 104.9 -10.5 50.5 -13.4 44.3 262 262 A I S < S- 0 0 19 -3,-1.3 48,-2.6 48,-0.1 -1,-0.3 -0.711 70.6-106.8 -96.0 149.0 47.1 -14.8 45.2 263 263 A K B >> -S 309 0G 76 -2,-0.3 3,-2.4 46,-0.2 4,-0.7 -0.533 26.2-121.6 -75.9 134.4 43.8 -13.4 43.8 264 264 A A H >> S+ 0 0 0 44,-3.2 3,-1.4 1,-0.3 4,-1.4 0.823 109.7 59.6 -39.7 -49.4 41.6 -11.4 46.2 265 265 A K H 3> S+ 0 0 65 41,-2.1 4,-2.9 1,-0.3 -1,-0.3 0.777 97.0 62.8 -55.6 -28.7 38.6 -13.7 45.9 266 266 A D H <> S+ 0 0 88 -3,-2.4 4,-1.8 2,-0.2 -1,-0.3 0.815 99.1 51.9 -69.1 -30.1 40.7 -16.6 47.2 267 267 A V H <>S+ 0 0 0 -4,-1.3 5,-1.5 -3,-0.2 3,-0.8 0.887 111.8 50.3 -80.5 -41.7 31.8 -20.8 57.7 276 276 A S H ><5S+ 0 0 64 -4,-2.1 3,-3.3 1,-0.3 5,-0.4 0.968 107.0 53.9 -59.4 -53.3 30.0 -23.0 55.2 277 277 A K T 3<5S+ 0 0 183 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.638 106.2 54.9 -55.6 -16.7 31.6 -26.2 56.5 278 278 A A T < 5S- 0 0 46 -3,-0.8 -1,-0.3 -5,-0.2 -2,-0.2 0.490 120.0-113.7 -94.6 -8.2 30.2 -25.1 59.9 279 279 A G T < 5S+ 0 0 57 -3,-3.3 3,-0.3 -4,-0.3 -3,-0.2 0.361 90.8 102.4 95.5 -4.9 26.7 -24.8 58.5 280 280 A Y > < + 0 0 63 -5,-1.5 3,-2.1 1,-0.2 -4,-0.2 0.096 36.9 128.5-100.0 25.8 26.1 -21.1 58.6 281 281 A G G > + 0 0 34 -5,-0.4 3,-0.7 -6,-0.3 -1,-0.2 0.813 69.4 52.9 -47.5 -41.0 26.7 -20.4 55.0 282 282 A E G 3 S+ 0 0 157 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.554 99.4 63.9 -77.8 -5.9 23.4 -18.6 54.4 283 283 A Y G < S+ 0 0 70 -3,-2.1 40,-3.0 1,-0.2 -1,-0.2 -0.113 80.6 84.7-107.8 36.7 24.0 -16.1 57.2 284 284 A F < + 0 0 7 -3,-0.7 2,-0.2 38,-0.2 -1,-0.2 -0.592 53.0 171.5-135.4 68.4 27.1 -14.4 55.8 285 285 A I + 0 0 123 -2,-0.1 2,-0.3 38,-0.1 37,-0.1 0.149 49.3 49.2 -70.0 16.0 25.5 -11.8 53.4 286 286 A H S S- 0 0 52 35,-0.2 35,-0.2 -2,-0.2 0, 0.0 -0.938 86.6 -72.9-151.3 174.3 28.7 -9.8 52.4 287 287 A R - 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