==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 12-JUL-10 2XKR . COMPND 2 MOLECULE: PUTATIVE CYTOCHROME P450 142; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR M.DRISCOLL,K.J.MCLEAN,C.W.LEVY,P.LAFITE,N.MAST,I.A.PIKULEVA, . 395 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16546.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 270 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 7.6 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 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 . 21 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 162 41.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 2 2 0 1 1 2 0 2 1 1 0 2 1 0 1 0 0 0 0 0 0 0 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 2 3 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 4 A A 0 0 91 0, 0.0 2,-0.1 0, 0.0 19,-0.0 0.000 360.0 360.0 360.0 156.2 -8.3 27.5 83.7 2 5 A P - 0 0 32 0, 0.0 2,-1.3 0, 0.0 32,-0.1 -0.451 360.0-125.2 -62.2 139.7 -7.0 29.9 81.1 3 6 A D + 0 0 120 -2,-0.1 2,-0.3 30,-0.1 30,-0.1 -0.717 57.1 144.3 -90.7 89.5 -5.8 27.9 78.1 4 7 A V - 0 0 21 -2,-1.3 30,-2.5 16,-0.0 2,-0.5 -0.891 49.9-143.4-133.0 157.1 -2.3 29.3 77.8 5 8 A D > - 0 0 44 -2,-0.3 3,-1.9 28,-0.2 6,-0.3 -0.961 12.4-163.3-119.4 105.6 1.2 28.3 76.9 6 9 A L T 3 S+ 0 0 0 -2,-0.5 -1,-0.1 1,-0.3 6,-0.0 0.514 89.6 57.0 -74.4 -2.1 3.6 30.2 79.2 7 10 A A T 3 S+ 0 0 30 57,-0.0 2,-0.6 4,-0.0 -1,-0.3 0.334 85.9 98.6-102.2 4.3 6.6 29.4 76.9 8 11 A D X> - 0 0 65 -3,-1.9 3,-1.9 1,-0.1 4,-0.8 -0.827 67.0-148.8 -97.3 118.1 4.8 31.0 73.9 9 12 A G H 3> S+ 0 0 11 -2,-0.6 366,-1.2 1,-0.3 4,-1.0 0.776 95.0 68.4 -56.4 -26.6 5.9 34.6 73.2 10 13 A N H 34 S+ 0 0 107 364,-0.2 4,-0.4 1,-0.2 -1,-0.3 0.807 90.9 61.2 -63.8 -28.1 2.4 35.3 71.9 11 14 A F H X4 S+ 0 0 21 -3,-1.9 3,-1.0 -6,-0.3 -1,-0.2 0.924 105.5 46.4 -61.4 -42.7 1.1 35.0 75.4 12 15 A Y H 3< S+ 0 0 9 -4,-0.8 -1,-0.2 -3,-0.3 -2,-0.2 0.668 105.6 58.7 -79.1 -15.2 3.2 37.8 76.7 13 16 A A T 3< S+ 0 0 28 -4,-1.0 359,-0.5 -3,-0.1 2,-0.4 0.521 90.1 96.8 -87.4 -4.5 2.3 40.1 73.7 14 17 A S X - 0 0 47 -3,-1.0 3,-1.5 -4,-0.4 4,-0.2 -0.715 67.6-150.5 -87.7 132.3 -1.3 39.7 74.8 15 18 A R T 3 S+ 0 0 123 -2,-0.4 4,-0.1 1,-0.3 -1,-0.1 0.284 97.4 67.6 -82.9 11.0 -2.9 42.4 76.9 16 19 A E T 3> S+ 0 0 151 -5,-0.2 4,-1.7 2,-0.1 -1,-0.3 0.295 70.6 95.5-105.3 6.1 -5.0 39.7 78.4 17 20 A A H <> S+ 0 0 6 -3,-1.5 4,-2.6 1,-0.2 5,-0.2 0.900 81.5 53.9 -59.4 -41.6 -2.0 38.1 80.1 18 21 A R H > S+ 0 0 49 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.872 103.5 55.7 -67.3 -32.2 -2.8 39.9 83.3 19 22 A A H > S+ 0 0 41 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.921 109.5 47.5 -60.4 -41.8 -6.4 38.5 83.2 20 23 A A H X S+ 0 0 9 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.921 110.2 51.6 -63.9 -45.3 -4.8 35.0 83.0 21 24 A Y H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.885 105.1 57.2 -57.3 -40.7 -2.4 35.8 85.9 22 25 A R H X S+ 0 0 105 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.921 106.8 48.3 -58.3 -44.2 -5.4 36.9 88.0 23 26 A W H X S+ 0 0 92 -4,-1.6 4,-1.8 1,-0.2 5,-0.4 0.931 110.8 51.1 -62.1 -45.9 -7.1 33.5 87.5 24 27 A M H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 3,-0.3 0.932 109.8 48.9 -56.0 -47.5 -3.9 31.7 88.5 25 28 A R H < S+ 0 0 35 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.860 117.2 42.0 -64.9 -33.0 -3.4 33.8 91.7 26 29 A A H < S+ 0 0 75 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.710 130.7 19.9 -84.4 -21.8 -7.0 33.2 92.7 27 30 A N H < S+ 0 0 96 -4,-1.8 -3,-0.2 -3,-0.3 -2,-0.2 0.693 136.5 7.1-126.3 -31.3 -7.3 29.5 91.8 28 31 A Q < - 0 0 68 -4,-2.3 -2,-0.1 -5,-0.4 13,-0.1 -0.495 59.0-173.4-157.5 79.7 -3.9 27.7 91.5 29 32 A P S S+ 0 0 41 0, 0.0 12,-2.8 0, 0.0 2,-0.9 0.802 87.9 48.8 -53.2 -39.9 -1.1 30.0 92.6 30 33 A V E S-A 40 0A 0 258,-0.5 10,-0.2 10,-0.2 2,-0.2 -0.877 97.9-165.6 -98.7 96.7 1.5 27.5 91.4 31 34 A F E -A 39 0A 2 8,-2.5 8,-2.3 -2,-0.9 2,-0.5 -0.489 23.7-150.1 -93.8 147.4 -0.1 27.0 88.1 32 35 A R E -A 38 0A 67 6,-0.2 6,-0.2 -2,-0.2 5,-0.1 -0.988 22.1-143.8-113.2 128.5 0.5 24.4 85.4 33 36 A D > - 0 0 9 4,-2.3 3,-2.2 -2,-0.5 -28,-0.2 -0.002 40.7 -75.8 -80.2-171.3 -0.2 25.6 81.8 34 37 A R T 3 S+ 0 0 152 -30,-2.5 -29,-0.1 1,-0.3 -1,-0.1 0.733 135.2 43.9 -60.9 -23.1 -1.7 23.7 78.9 35 38 A N T 3 S- 0 0 102 -31,-0.3 -1,-0.3 2,-0.1 -30,-0.1 0.313 122.9-102.1-102.4 4.7 1.5 21.7 78.5 36 39 A G < + 0 0 30 -3,-2.2 2,-0.3 1,-0.3 -2,-0.1 0.486 67.7 153.4 89.7 3.0 2.1 21.1 82.2 37 40 A L - 0 0 31 -5,-0.1 -4,-2.3 1,-0.1 -1,-0.3 -0.511 39.8-132.2 -69.8 129.0 4.7 23.8 82.7 38 41 A A E +Ab 32 298A 0 259,-0.7 261,-2.6 -2,-0.3 2,-0.3 -0.598 27.5 178.3 -86.7 143.9 4.7 25.0 86.3 39 42 A A E -Ab 31 299A 0 -8,-2.3 -8,-2.5 259,-0.3 2,-0.7 -0.973 28.5-134.3-150.2 129.4 4.7 28.7 87.2 40 43 A A E +Ab 30 300A 0 259,-3.2 261,-2.3 -2,-0.3 -10,-0.2 -0.750 28.7 172.8 -83.6 115.8 4.7 30.6 90.4 41 44 A S + 0 0 0 -12,-2.8 2,-0.2 -2,-0.7 -16,-0.2 0.651 48.8 75.7-102.2 -21.4 2.1 33.4 89.9 42 45 A T S > S- 0 0 17 -13,-0.4 4,-2.4 1,-0.1 263,-0.2 -0.633 79.4-124.2 -95.2 154.8 1.7 35.0 93.4 43 46 A Y H > S+ 0 0 38 262,-0.3 4,-2.7 -2,-0.2 5,-0.3 0.930 113.5 53.1 -57.2 -45.2 4.2 37.3 95.0 44 47 A Q H > S+ 0 0 107 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.916 109.8 46.5 -59.2 -43.9 4.3 34.9 98.0 45 48 A A H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.903 112.5 49.9 -68.0 -40.8 5.2 31.9 95.9 46 49 A V H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.950 113.9 45.2 -62.3 -47.1 7.8 33.8 93.9 47 50 A I H X S+ 0 0 19 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.906 111.5 52.2 -60.8 -44.5 9.5 35.1 97.1 48 51 A D H < S+ 0 0 40 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.876 112.1 45.9 -63.9 -36.0 9.4 31.7 98.8 49 52 A A H >< S+ 0 0 0 -4,-2.1 3,-1.5 1,-0.2 7,-0.3 0.913 110.7 52.9 -71.0 -41.2 11.0 30.1 95.8 50 53 A E H 3< S+ 0 0 10 -4,-2.4 284,-0.4 1,-0.3 -2,-0.2 0.874 106.9 53.3 -59.3 -37.5 13.7 32.8 95.6 51 54 A R T 3< S+ 0 0 167 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.472 104.7 58.6 -79.5 -2.6 14.5 32.3 99.3 52 55 A Q X> + 0 0 83 -3,-1.5 4,-3.1 -4,-0.2 3,-1.5 -0.469 56.4 155.5-125.0 60.8 15.1 28.5 98.7 53 56 A P T 34 S+ 0 0 47 0, 0.0 5,-0.2 0, 0.0 -1,-0.1 0.705 71.9 63.2 -62.8 -21.2 17.8 28.4 96.0 54 57 A E T 34 S+ 0 0 177 1,-0.1 3,-0.2 -3,-0.1 -2,-0.1 0.782 116.1 30.2 -73.7 -24.7 18.8 24.9 97.2 55 58 A L T <4 S+ 0 0 28 -3,-1.5 227,-1.9 1,-0.2 2,-0.8 0.791 126.4 45.0 -95.2 -40.2 15.4 23.6 96.2 56 59 A F E < S-C 281 0A 0 -4,-3.1 -1,-0.2 -7,-0.3 225,-0.2 -0.843 87.3-169.3-111.3 92.3 14.8 26.0 93.3 57 60 A S E -C 280 0A 6 223,-2.6 223,-2.7 -2,-0.8 3,-0.3 -0.463 32.4-158.4 -92.0 150.0 18.2 26.1 91.4 58 61 A N S > S+ 0 0 2 221,-0.2 3,-1.9 -5,-0.2 -1,-0.1 0.471 77.3 91.9 -94.3 -5.7 19.6 28.3 88.7 59 62 A A T 3 S+ 0 0 52 1,-0.3 9,-0.3 221,-0.2 -1,-0.1 0.500 76.9 60.3 -77.6 -2.3 22.1 25.6 87.6 60 63 A G T 3 S- 0 0 23 -3,-0.3 -1,-0.3 1,-0.3 3,-0.1 0.413 122.1 -95.6 -93.5 -0.9 19.7 24.1 85.0 61 64 A G < - 0 0 0 -3,-1.9 -1,-0.3 6,-0.1 7,-0.2 0.022 27.3-100.5 96.7 152.8 19.6 27.4 83.2 62 65 A I S S+ 0 0 12 5,-0.2 216,-2.2 -3,-0.1 -1,-0.1 0.396 94.8 79.0 -95.2 4.2 17.0 30.2 83.5 63 66 A R S > S- 0 0 3 3,-0.3 3,-0.9 214,-0.2 98,-0.1 -0.818 83.4-119.0-108.7 156.4 15.0 29.4 80.3 64 67 A P T 3 S+ 0 0 25 0, 0.0 233,-0.2 0, 0.0 -1,-0.1 0.786 103.8 18.8 -69.6 -28.8 12.4 26.7 80.0 65 68 A D T 3 S+ 0 0 97 97,-0.1 -4,-0.1 2,-0.1 -3,-0.0 -0.093 106.0 88.4-134.4 35.1 13.9 24.5 77.3 66 69 A Q S < S- 0 0 26 -3,-0.9 -3,-0.3 -6,-0.1 2,-0.0 -0.982 70.8-116.1-136.4 144.3 17.6 25.5 77.1 67 70 A P - 0 0 109 0, 0.0 -5,-0.2 0, 0.0 -6,-0.1 -0.275 42.2 -83.6 -76.3 164.7 20.6 24.2 79.0 68 71 A A - 0 0 43 -9,-0.3 -9,-0.1 -7,-0.2 -7,-0.1 -0.339 37.5-149.8 -65.7 145.1 22.8 26.2 81.4 69 72 A L - 0 0 86 2,-0.1 2,-2.3 -2,-0.1 5,-0.2 -0.802 33.0 -98.3-109.3 159.4 25.6 28.5 80.2 70 73 A P S S+ 0 0 85 0, 0.0 2,-0.3 0, 0.0 149,-0.1 -0.439 84.3 108.8 -79.8 72.2 28.8 29.2 82.1 71 74 A M S > S- 0 0 13 -2,-2.3 3,-2.3 148,-0.1 -2,-0.1 -0.977 81.9 -99.0-146.5 156.7 27.6 32.6 83.5 72 75 A M G > S+ 0 0 12 -2,-0.3 3,-1.7 1,-0.3 12,-0.1 0.781 116.6 55.9 -42.0 -46.6 26.6 34.0 86.9 73 76 A I G 3 S+ 0 0 34 1,-0.3 -1,-0.3 -14,-0.0 -12,-0.1 0.683 106.6 51.0 -73.3 -14.1 22.8 33.8 86.3 74 77 A D G < S+ 0 0 13 -3,-2.3 2,-0.3 -5,-0.2 -1,-0.3 0.054 99.8 88.3-105.7 23.9 23.0 30.0 85.6 75 78 A M < - 0 0 33 -3,-1.7 2,-0.3 -15,-0.1 -15,-0.1 -0.899 61.7-145.1-122.8 151.7 25.0 29.3 88.8 76 79 A D > - 0 0 48 -2,-0.3 4,-2.3 -18,-0.1 3,-0.5 -0.729 44.4 -54.7-103.8 160.9 24.2 28.4 92.4 77 80 A D T 4 S+ 0 0 72 1,-0.3 -1,-0.1 -2,-0.3 257,-0.0 -0.468 113.3 30.5 -70.1 148.3 26.2 29.5 95.5 78 81 A P T > S+ 0 0 114 0, 0.0 4,-1.7 0, 0.0 -1,-0.3 -0.983 129.2 40.3 -85.1 -14.6 28.9 29.2 96.4 79 82 A A H > S+ 0 0 54 -3,-0.5 4,-2.2 1,-0.2 -2,-0.3 0.908 116.7 52.5 -58.3 -43.3 30.3 29.4 92.8 80 83 A H H X S+ 0 0 0 -4,-2.3 4,-3.0 1,-0.2 -1,-0.2 0.896 105.1 54.9 -58.1 -42.5 27.7 32.0 91.9 81 84 A L H > S+ 0 0 69 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.908 108.1 48.3 -63.0 -41.4 28.8 34.2 94.8 82 85 A L H X S+ 0 0 61 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.939 113.4 47.3 -61.5 -46.7 32.4 34.2 93.8 83 86 A R H X S+ 0 0 27 -4,-2.2 4,-2.3 1,-0.2 5,-0.2 0.923 113.6 48.8 -60.9 -44.3 31.5 35.1 90.2 84 87 A R H X S+ 0 0 47 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.911 109.0 51.2 -65.3 -42.5 29.2 37.8 91.4 85 88 A K H < S+ 0 0 98 -4,-2.7 4,-0.5 -5,-0.2 -1,-0.2 0.892 111.1 50.3 -60.9 -38.0 31.8 39.3 93.7 86 89 A L H >< S+ 0 0 4 -4,-2.1 3,-1.2 1,-0.2 -2,-0.2 0.953 114.7 41.2 -64.3 -49.2 34.3 39.4 90.9 87 90 A V H >< S+ 0 0 0 -4,-2.3 3,-2.4 1,-0.3 4,-0.2 0.808 98.6 77.7 -71.0 -27.4 31.9 41.1 88.5 88 91 A N G >< S+ 0 0 64 -4,-2.3 3,-2.1 1,-0.3 -1,-0.3 0.697 73.3 80.3 -55.8 -21.7 30.6 43.4 91.2 89 92 A A G < S+ 0 0 26 -3,-1.2 3,-0.5 -4,-0.5 -1,-0.3 0.821 92.6 50.5 -54.7 -29.9 33.8 45.5 90.8 90 93 A G G < S+ 0 0 0 -3,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.544 114.6 43.6 -83.8 -4.8 32.1 47.1 87.8 91 94 A F S < S+ 0 0 15 -3,-2.1 -1,-0.2 -4,-0.2 -2,-0.2 0.030 70.3 143.4-135.7 25.6 29.0 47.9 89.8 92 95 A T > - 0 0 55 -3,-0.5 4,-2.4 -4,-0.2 5,-0.3 -0.301 64.5-108.7 -61.8 156.2 29.9 49.3 93.2 93 96 A R H > S+ 0 0 67 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.886 119.2 47.4 -57.2 -39.2 27.6 52.0 94.4 94 97 A K H > S+ 0 0 62 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.910 110.0 50.8 -70.6 -42.7 30.3 54.6 93.8 95 98 A R H 4 S+ 0 0 44 2,-0.2 4,-0.2 1,-0.2 -2,-0.2 0.892 113.9 45.1 -65.1 -38.2 31.3 53.5 90.4 96 99 A V H >< S+ 0 0 2 -4,-2.4 3,-2.0 1,-0.2 4,-0.2 0.949 111.4 51.2 -70.1 -47.3 27.7 53.5 89.2 97 100 A K H >< S+ 0 0 113 -4,-2.4 3,-1.8 1,-0.3 4,-0.2 0.864 102.0 63.0 -59.0 -34.0 26.8 56.9 90.7 98 101 A D T 3< S+ 0 0 126 -4,-2.1 4,-0.3 1,-0.3 3,-0.3 0.596 90.6 67.8 -66.9 -11.1 29.9 58.3 89.0 99 102 A K T <> S+ 0 0 29 -3,-2.0 4,-2.8 -4,-0.2 5,-0.3 0.517 71.9 98.8 -83.7 -5.0 28.3 57.6 85.6 100 103 A E H <> S+ 0 0 70 -3,-1.8 4,-2.6 1,-0.2 5,-0.2 0.901 81.4 45.7 -51.6 -51.2 25.6 60.2 86.2 101 104 A A H > S+ 0 0 78 -3,-0.3 4,-2.0 -4,-0.2 -1,-0.2 0.913 114.8 47.6 -61.1 -43.3 27.2 63.0 84.2 102 105 A S H > S+ 0 0 64 -4,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.907 113.8 46.6 -66.1 -42.9 28.1 60.7 81.2 103 106 A I H X S+ 0 0 2 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.899 110.5 53.3 -65.7 -41.0 24.6 59.2 81.2 104 107 A A H X S+ 0 0 10 -4,-2.6 4,-2.3 -5,-0.3 -1,-0.2 0.899 107.5 52.1 -58.9 -40.7 23.0 62.6 81.4 105 108 A A H X S+ 0 0 53 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.888 107.5 51.5 -65.9 -38.0 25.0 63.7 78.4 106 109 A L H X S+ 0 0 20 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.915 109.3 51.6 -62.8 -41.0 23.8 60.7 76.4 107 110 A C H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.923 110.5 47.0 -61.5 -45.0 20.2 61.6 77.3 108 111 A D H X S+ 0 0 29 -4,-2.3 4,-2.6 1,-0.2 286,-0.3 0.893 111.4 51.7 -67.6 -36.1 20.7 65.2 76.2 109 112 A T H X S+ 0 0 89 -4,-2.3 4,-1.1 2,-0.2 -1,-0.2 0.920 111.0 47.7 -62.3 -44.8 22.3 64.1 72.9 110 113 A L H < S+ 0 0 32 -4,-2.5 4,-0.4 1,-0.2 3,-0.3 0.896 114.1 45.7 -65.5 -41.0 19.5 61.7 72.2 111 114 A I H >X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 3,-1.4 0.888 106.9 59.9 -70.4 -36.6 16.8 64.4 72.9 112 115 A D H 3< S+ 0 0 24 -4,-2.6 4,-0.4 1,-0.3 -1,-0.2 0.813 97.8 61.3 -54.8 -31.7 18.8 66.9 70.8 113 116 A A T 3< S+ 0 0 57 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.687 121.2 19.6 -74.6 -18.1 18.4 64.5 67.9 114 117 A V T X> S+ 0 0 2 -3,-1.4 3,-1.9 -4,-0.4 4,-0.8 0.540 93.8 95.1-124.1 -12.9 14.6 64.8 67.9 115 118 A C T 3< S+ 0 0 0 -4,-2.4 276,-2.0 1,-0.3 3,-0.2 0.751 86.9 52.4 -61.6 -25.6 13.6 67.9 69.8 116 119 A E T 34 S+ 0 0 129 -4,-0.4 -1,-0.3 274,-0.3 -2,-0.1 0.660 100.2 65.3 -79.9 -15.0 13.3 70.1 66.7 117 120 A R T <4 S- 0 0 152 -3,-1.9 -2,-0.2 2,-0.1 -1,-0.2 0.781 87.0-140.5 -83.4 -32.2 11.0 67.6 65.0 118 121 A G S < S+ 0 0 13 -4,-0.8 270,-2.0 -3,-0.2 2,-0.3 0.402 79.9 56.1 84.2 -4.1 7.9 67.8 67.2 119 122 A E E +E 387 0B 74 -5,-0.4 2,-0.3 268,-0.3 268,-0.2 -0.975 56.9 156.9-154.1 141.7 7.4 64.0 66.8 120 123 A C E -E 386 0B 1 266,-2.1 266,-2.6 -2,-0.3 2,-0.8 -0.963 47.4-104.0-152.2 171.7 9.5 60.9 67.4 121 124 A D E > -E 385 0B 23 -2,-0.3 4,-2.8 264,-0.2 5,-0.4 -0.915 31.8-153.6 -94.6 111.0 9.1 57.2 68.1 122 125 A F H >>S+ 0 0 0 262,-2.8 5,-3.1 -2,-0.8 4,-1.3 0.840 90.8 47.2 -59.5 -32.4 9.9 57.1 71.8 123 126 A V H 4>S+ 0 0 4 3,-0.2 5,-2.8 4,-0.2 -1,-0.2 0.984 118.0 36.9 -72.1 -57.9 11.1 53.5 71.5 124 127 A R H 45S+ 0 0 148 1,-0.2 -2,-0.2 3,-0.2 -1,-0.1 0.871 127.4 35.5 -61.2 -37.2 13.4 53.8 68.5 125 128 A D H <5S+ 0 0 26 -4,-2.8 -1,-0.2 3,-0.1 -3,-0.2 0.694 134.3 5.6 -99.4 -22.1 14.7 57.2 69.3 126 129 A L T X5S+ 0 0 0 -4,-1.3 4,-1.4 -5,-0.4 -3,-0.2 0.652 125.0 44.5-128.1 -54.1 15.0 57.5 73.1 127 130 A A T 4 S+ 0 0 37 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.870 101.3 63.6 -69.5 -33.7 19.3 53.9 72.1 130 133 A L H X S+ 0 0 0 -4,-1.4 4,-2.5 1,-0.2 5,-0.2 0.928 101.8 45.2 -58.5 -53.1 20.1 54.9 75.7 131 134 A P H > S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.860 116.0 47.7 -63.0 -34.9 20.7 51.5 77.3 132 135 A M H X S+ 0 0 3 -4,-0.9 4,-2.9 2,-0.2 -2,-0.2 0.835 110.8 51.2 -73.3 -33.7 22.9 50.4 74.4 133 136 A A H X S+ 0 0 4 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.912 111.4 48.3 -68.7 -40.4 24.9 53.6 74.5 134 137 A V H X S+ 0 0 6 -4,-2.5 4,-1.7 -5,-0.2 -2,-0.2 0.960 119.1 37.8 -62.6 -51.4 25.5 53.3 78.2 135 138 A I H X S+ 0 0 4 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.902 114.9 56.0 -67.2 -40.9 26.7 49.7 77.9 136 139 A G H X>S+ 0 0 0 -4,-2.9 5,-2.8 1,-0.2 4,-0.6 0.923 106.6 49.8 -54.6 -46.6 28.4 50.4 74.7 137 140 A D H ><5S+ 0 0 76 -4,-2.6 3,-0.7 1,-0.2 -1,-0.2 0.891 109.2 51.8 -64.5 -37.3 30.5 53.1 76.3 138 141 A M H 3<5S+ 0 0 14 -4,-1.7 60,-1.8 1,-0.2 61,-0.6 0.838 113.6 45.3 -62.4 -33.1 31.4 50.7 79.2 139 142 A L H 3<5S- 0 0 6 -4,-1.8 -1,-0.2 -3,-0.2 -2,-0.2 0.406 116.7-109.3 -96.2 0.3 32.6 48.2 76.6 140 143 A G T <<5 + 0 0 39 -3,-0.7 2,-0.4 -4,-0.6 -3,-0.2 0.743 59.2 161.0 80.1 25.3 34.5 50.5 74.4 141 144 A V < - 0 0 5 -5,-2.8 -1,-0.2 -6,-0.2 5,-0.1 -0.677 42.1-120.6 -82.3 127.7 32.1 50.4 71.5 142 145 A R >> - 0 0 144 -2,-0.4 3,-2.2 1,-0.1 4,-0.5 -0.370 25.6-116.5 -60.1 143.6 32.5 53.3 69.0 143 146 A P G >4 S+ 0 0 76 0, 0.0 3,-1.4 0, 0.0 4,-0.3 0.875 115.6 53.9 -52.5 -39.6 29.2 55.3 68.8 144 147 A E G 34 S+ 0 0 129 1,-0.3 4,-0.1 2,-0.1 3,-0.1 0.531 106.5 54.1 -77.3 -2.7 28.8 54.4 65.1 145 148 A Q G X> S+ 0 0 66 -3,-2.2 4,-1.4 1,-0.1 3,-0.8 0.430 79.6 94.3-105.2 -0.2 29.1 50.7 66.0 146 149 A R H S+ 0 0 120 -4,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.807 100.8 56.9 -66.8 -27.5 23.7 49.6 66.2 148 151 A M H <> S+ 0 0 85 -3,-0.8 4,-2.0 2,-0.2 -1,-0.2 0.945 110.5 43.1 -64.8 -47.0 25.7 46.4 65.5 149 152 A F H X S+ 0 0 1 -4,-1.4 4,-2.6 1,-0.2 -2,-0.2 0.859 108.6 59.3 -66.4 -35.7 25.6 45.5 69.1 150 153 A L H X S+ 0 0 40 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.910 107.6 47.1 -57.8 -42.6 22.0 46.5 69.3 151 154 A R H X S+ 0 0 165 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.914 111.2 49.2 -66.3 -44.1 21.3 43.8 66.7 152 155 A W H X S+ 0 0 32 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.896 111.2 51.2 -62.8 -39.9 23.4 41.1 68.4 153 156 A S H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.931 110.5 48.1 -61.0 -46.5 21.6 41.9 71.6 154 157 A D H X S+ 0 0 67 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.917 110.7 52.6 -61.6 -42.7 18.2 41.6 69.9 155 158 A D H X S+ 0 0 34 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.927 112.3 44.1 -56.4 -48.1 19.3 38.3 68.3 156 159 A L H X S+ 0 0 17 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.904 113.0 49.9 -69.3 -42.1 20.3 36.8 71.7 157 160 A V H X S+ 0 0 5 -4,-2.8 4,-1.3 2,-0.2 221,-0.2 0.905 110.1 52.6 -59.0 -42.2 17.2 38.0 73.5 158 161 A T H < S+ 0 0 57 -4,-2.6 3,-0.4 -5,-0.2 4,-0.2 0.919 108.1 50.7 -60.6 -42.8 15.1 36.5 70.7 159 162 A F H >< S+ 0 0 45 -4,-2.0 3,-1.0 1,-0.2 5,-0.3 0.917 113.0 45.0 -60.6 -43.7 17.0 33.2 71.2 160 163 A L H 3< S+ 0 0 32 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.698 111.7 56.4 -70.1 -18.2 16.3 33.3 74.9 161 164 A S T 3< S+ 0 0 3 -4,-1.3 215,-2.3 -3,-0.4 2,-0.3 0.269 115.9 9.2-102.0 7.2 12.7 34.3 74.2 162 165 A S S < S- 0 0 38 -3,-1.0 2,-0.7 -4,-0.2 -97,-0.1 -0.909 81.9 -87.7-161.0-176.7 11.6 31.4 72.0 163 166 A H - 0 0 80 -2,-0.3 -3,-0.1 -156,-0.1 -4,-0.1 -0.925 57.8-143.9-107.7 100.2 12.5 28.0 70.5 164 167 A V - 0 0 34 -2,-0.7 -5,-0.0 -5,-0.3 -2,-0.0 -0.256 5.2-117.2 -73.9 150.7 14.4 29.2 67.4 165 168 A S > - 0 0 66 1,-0.1 4,-1.8 4,-0.0 5,-0.1 -0.173 40.2 -97.4 -66.1 172.3 14.4 27.6 63.9 166 169 A Q H > S+ 0 0 87 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.904 126.2 52.9 -60.4 -41.2 17.7 26.3 62.6 167 170 A E H > S+ 0 0 63 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.919 110.8 44.6 -61.6 -46.7 18.2 29.5 60.7 168 171 A D H > S+ 0 0 71 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.767 109.2 58.1 -72.8 -24.6 17.7 31.7 63.8 169 172 A F H X S+ 0 0 98 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.924 107.4 47.0 -65.7 -43.9 19.9 29.4 65.8 170 173 A Q H X S+ 0 0 100 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.906 109.2 54.0 -65.2 -41.2 22.8 30.0 63.3 171 174 A I H X S+ 0 0 76 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.898 109.4 49.2 -56.8 -41.2 22.1 33.7 63.4 172 175 A T H X S+ 0 0 5 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.915 111.3 47.9 -66.1 -43.8 22.5 33.6 67.2 173 176 A M H X S+ 0 0 67 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.881 111.9 50.1 -66.5 -37.2 25.7 31.6 67.0 174 177 A D H X S+ 0 0 90 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.918 109.8 50.7 -67.9 -41.1 27.1 34.0 64.4 175 178 A A H X S+ 0 0 4 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.921 110.9 49.2 -60.1 -44.5 26.2 37.0 66.6 176 179 A F H X S+ 0 0 66 -4,-2.4 4,-3.2 1,-0.2 5,-0.2 0.907 107.8 54.3 -61.8 -41.0 27.9 35.4 69.6 177 180 A A H X S+ 0 0 55 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.902 110.7 46.3 -59.7 -40.7 31.0 34.7 67.5 178 181 A A H X S+ 0 0 35 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.910 113.5 47.9 -67.6 -43.4 31.2 38.4 66.6 179 182 A Y H X S+ 0 0 1 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.928 111.4 51.6 -62.3 -44.3 30.7 39.5 70.2 180 183 A N H X S+ 0 0 40 -4,-3.2 4,-2.5 1,-0.2 5,-0.2 0.917 110.0 48.9 -58.0 -45.4 33.3 37.0 71.3 181 184 A D H X S+ 0 0 118 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.951 113.0 46.4 -60.6 -49.7 35.8 38.3 68.8 182 185 A F H X S+ 0 0 46 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.922 114.3 47.6 -58.8 -46.6 35.3 41.9 69.7 183 186 A T H X S+ 0 0 5 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.885 108.8 52.4 -69.1 -38.8 35.5 41.3 73.5 184 187 A R H X S+ 0 0 87 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.863 107.7 53.6 -67.0 -32.2 38.6 39.2 73.3 185 188 A A H X S+ 0 0 61 -4,-1.9 4,-2.1 -5,-0.2 -1,-0.2 0.922 110.8 46.5 -63.2 -44.3 40.3 42.0 71.4 186 189 A T H X S+ 0 0 14 -4,-1.9 4,-2.9 2,-0.2 5,-0.2 0.929 111.1 51.9 -61.9 -45.9 39.3 44.4 74.2 187 190 A I H X S+ 0 0 2 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.915 110.1 48.1 -58.3 -47.2 40.5 42.0 76.8 188 191 A A H X S+ 0 0 64 -4,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.931 113.6 48.1 -59.6 -45.9 43.9 41.6 75.2 189 192 A A H X S+ 0 0 46 -4,-2.1 4,-2.9 1,-0.2 -2,-0.2 0.902 116.3 42.2 -62.2 -44.6 44.2 45.4 74.8 190 193 A R H < S+ 0 0 54 -4,-2.9 -2,-0.2 2,-0.2 -1,-0.2 0.879 106.5 59.1 -74.0 -39.6 43.3 46.1 78.4 191 194 A R H < S+ 0 0 105 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.833 118.6 35.6 -56.7 -29.5 45.3 43.3 80.1 192 195 A A H < S+ 0 0 86 -4,-1.2 -2,-0.2 -5,-0.2 -1,-0.2 0.886 136.2 18.3 -89.0 -46.7 48.3 45.0 78.5 193 196 A D S < S- 0 0 62 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 -0.752 81.9-154.0-132.0 85.9 47.2 48.7 78.8 194 197 A P + 0 0 88 0, 0.0 2,-0.2 0, 0.0 -3,-0.1 -0.235 15.8 176.6 -61.3 140.2 44.4 49.2 81.4 195 198 A T - 0 0 79 2,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.336 47.9 -91.3-116.8-152.9 42.1 52.1 81.1 196 199 A D S S+ 0 0 119 -2,-0.2 2,-0.0 4,-0.1 0, 0.0 0.150 84.8 115.9-111.0 20.8 39.1 52.9 83.4 197 200 A D S > S- 0 0 21 1,-0.1 4,-2.3 -58,-0.0 5,-0.2 -0.177 81.7 -94.1 -84.7 179.0 36.5 51.0 81.3 198 201 A L H > S+ 0 0 2 -60,-1.8 4,-2.6 1,-0.2 5,-0.2 0.900 123.1 49.4 -63.4 -43.7 34.5 47.9 82.3 199 202 A V H > S+ 0 0 2 -61,-0.6 4,-2.5 1,-0.2 -1,-0.2 0.927 111.3 52.1 -64.3 -39.4 36.8 45.3 80.8 200 203 A S H > S+ 0 0 7 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.924 111.6 45.2 -58.5 -46.6 39.7 47.0 82.6 201 204 A V H X S+ 0 0 27 -4,-2.3 4,-0.8 1,-0.2 -1,-0.2 0.888 114.2 48.9 -67.5 -37.9 38.0 46.9 86.0 202 205 A L H < S+ 0 0 0 -4,-2.6 10,-0.5 1,-0.2 3,-0.4 0.870 107.3 55.0 -69.9 -36.9 36.9 43.3 85.5 203 206 A V H < S+ 0 0 12 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.865 112.1 44.3 -62.1 -36.4 40.4 42.2 84.5 204 207 A S H < S+ 0 0 72 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.575 87.1 115.2 -86.3 -11.7 41.8 43.7 87.8 205 208 A S < + 0 0 13 -4,-0.8 7,-0.5 -3,-0.4 2,-0.3 -0.352 42.1 179.9 -62.6 137.2 39.0 42.3 90.0 206 209 A E - 0 0 107 5,-0.1 2,-0.4 -121,-0.1 5,-0.2 -0.994 12.0-179.1-144.7 134.6 40.2 39.8 92.5 207 210 A V B > S-G 210 0C 22 3,-2.3 3,-1.7 -2,-0.3 -121,-0.1 -0.968 73.0 -23.5-138.8 116.4 38.4 37.8 95.2 208 211 A D T 3 S- 0 0 140 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.894 127.5 -47.4 49.2 49.0 40.0 35.4 97.6 209 212 A G T 3 S+ 0 0 58 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.562 116.8 115.9 74.2 9.6 43.0 34.8 95.3 210 213 A E B < -G 207 0C 105 -3,-1.7 -3,-2.3 -128,-0.0 2,-0.3 -0.837 39.7-177.1-114.5 149.0 40.7 34.3 92.3 211 214 A R - 0 0 122 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.1 -0.908 35.1 -91.5-134.8 164.8 40.3 36.3 89.1 212 215 A L - 0 0 5 -10,-0.5 2,-0.1 -7,-0.5 -7,-0.0 -0.645 38.2-138.2 -78.5 131.5 38.1 36.1 86.0 213 216 A S > - 0 0 49 -2,-0.4 4,-2.4 1,-0.1 5,-0.2 -0.304 29.0-103.1 -75.9 167.4 39.4 34.1 83.0 214 217 A D H > S+ 0 0 64 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.906 124.8 52.6 -58.3 -40.9 39.1 35.3 79.5 215 218 A D H > S+ 0 0 102 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.935 111.0 46.2 -59.4 -46.7 36.3 32.8 79.0 216 219 A E H > S+ 0 0 54 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.862 108.8 55.5 -66.3 -34.7 34.5 34.2 82.0 217 220 A L H X S+ 0 0 1 -4,-2.4 4,-2.1 2,-0.2 5,-0.3 0.910 108.9 47.6 -66.2 -41.1 35.1 37.8 80.9 218 221 A V H X S+ 0 0 2 -4,-2.1 4,-1.9 -5,-0.2 -2,-0.2 0.956 115.9 44.4 -62.4 -48.3 33.4 37.1 77.6 219 222 A M H X S+ 0 0 21 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.900 115.4 45.6 -66.1 -43.1 30.4 35.4 79.3 220 223 A E H X S+ 0 0 1 -4,-3.1 4,-1.9 2,-0.2 -1,-0.2 0.868 112.7 49.1 -72.6 -36.2 29.9 37.9 82.0 221 224 A T H X S+ 0 0 1 -4,-2.1 4,-2.5 -5,-0.3 -1,-0.2 0.869 110.8 52.8 -69.1 -32.7 30.2 40.9 79.8 222 225 A L H X S+ 0 0 13 -4,-1.9 4,-2.8 -5,-0.3 5,-0.3 0.919 106.8 51.5 -63.9 -42.9 27.7 39.2 77.5 223 226 A L H X S+ 0 0 37 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.890 110.4 49.8 -61.1 -38.2 25.3 38.7 80.4 224 227 A I H X S+ 0 0 27 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.941 110.9 49.2 -64.7 -47.3 25.6 42.4 81.1 225 228 A L H X S+ 0 0 0 -4,-2.5 4,-0.9 2,-0.2 -2,-0.2 0.956 119.8 35.6 -54.4 -56.3 24.9 43.4 77.5 226 229 A I H < S+ 0 0 19 -4,-2.8 5,-0.4 1,-0.2 4,-0.4 0.896 119.5 50.8 -68.7 -39.6 21.8 41.2 77.2 227 230 A G H < S+ 0 0 38 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.795 117.8 34.7 -70.3 -29.9 20.7 41.8 80.7 228 231 A G H < S+ 0 0 21 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.436 108.0 63.7-109.8 -0.9 20.9 45.6 80.7 229 232 A D S X S+ 0 0 0 -4,-0.9 4,-2.0 -3,-0.3 -3,-0.1 0.930 109.6 19.8 -89.5 -79.2 19.9 46.6 77.2 230 233 A E H > S+ 0 0 10 -4,-0.4 4,-2.1 1,-0.2 5,-0.1 0.774 120.0 61.8 -72.8 -24.4 16.3 45.7 76.2 231 234 A T H > S+ 0 0 22 -5,-0.4 4,-1.7 2,-0.2 -1,-0.2 0.976 107.7 42.6 -58.1 -57.3 15.2 45.3 79.7 232 235 A T H > S+ 0 0 6 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.904 111.4 57.6 -57.7 -43.3 15.9 49.0 80.5 233 236 A R H X S+ 0 0 28 -4,-2.0 4,-2.7 1,-0.2 5,-0.2 0.929 105.9 48.9 -49.2 -50.8 14.4 50.0 77.1 234 237 A H H X S+ 0 0 9 -4,-2.1 4,-2.5 1,-0.2 5,-0.3 0.831 110.5 48.8 -69.9 -33.4 11.1 48.4 78.0 235 238 A T H X S+ 0 0 3 -4,-1.7 4,-2.4 2,-0.2 5,-0.4 0.915 112.1 50.4 -69.2 -39.1 10.8 50.1 81.4 236 239 A L H X S+ 0 0 1 -4,-2.5 4,-1.9 -5,-0.2 -2,-0.2 0.952 118.7 36.9 -62.0 -48.0 11.7 53.5 79.8 237 240 A S H X S+ 0 0 0 -4,-2.7 4,-2.5 -5,-0.2 -2,-0.2 0.961 122.3 41.7 -70.8 -50.4 9.1 53.1 77.1 238 241 A G H X S+ 0 0 9 -4,-2.5 4,-1.6 -5,-0.2 -3,-0.2 0.838 116.0 50.2 -69.0 -32.4 6.3 51.4 79.1 239 242 A G H X S+ 0 0 0 -4,-2.4 4,-1.5 -5,-0.3 -1,-0.2 0.914 112.1 46.4 -70.6 -42.8 6.9 53.6 82.1 240 243 A T H X S+ 0 0 2 -4,-1.9 4,-2.1 -5,-0.4 -2,-0.2 0.897 107.3 60.0 -65.4 -39.3 6.7 56.8 80.1 241 244 A E H X S+ 0 0 10 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.911 103.8 49.9 -53.3 -45.3 3.6 55.4 78.3 242 245 A Q H X S+ 0 0 23 -4,-1.6 4,-1.3 1,-0.2 -1,-0.2 0.869 107.6 53.0 -65.6 -35.6 1.8 55.1 81.7 243 246 A L H < S+ 0 0 0 -4,-1.5 7,-0.9 1,-0.2 -1,-0.2 0.890 112.6 46.0 -61.3 -38.9 2.7 58.7 82.5 244 247 A L H < S+ 0 0 11 -4,-2.1 3,-0.3 1,-0.2 -2,-0.2 0.802 111.5 50.2 -76.0 -29.9 1.2 59.8 79.2 245 248 A R H < S+ 0 0 77 -4,-2.1 2,-0.4 1,-0.3 -1,-0.2 0.679 115.2 45.3 -79.8 -19.9 -1.9 57.7 79.6 246 249 A N S >X S- 0 0 52 -4,-1.3 3,-2.2 -5,-0.2 4,-1.3 -0.768 71.2-175.9-123.5 82.4 -2.5 59.1 83.0 247 250 A R H 3> S+ 0 0 87 -2,-0.4 4,-3.1 -3,-0.3 5,-0.2 0.744 79.6 65.7 -55.9 -28.4 -1.9 62.9 82.7 248 251 A D H 3> S+ 0 0 96 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.839 103.9 47.5 -60.6 -32.9 -2.4 63.4 86.4 249 252 A Q H <> S+ 0 0 5 -3,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.917 111.2 48.8 -74.6 -47.2 0.7 61.4 87.0 250 253 A W H X S+ 0 0 2 -4,-1.3 4,-2.1 -7,-0.9 -2,-0.2 0.944 113.2 49.6 -52.9 -48.8 2.7 63.3 84.3 251 254 A D H X S+ 0 0 86 -4,-3.1 4,-1.7 1,-0.2 -2,-0.2 0.890 108.6 51.5 -61.4 -42.4 1.5 66.5 85.9 252 255 A L H X S+ 0 0 26 -4,-1.9 4,-0.7 1,-0.2 -1,-0.2 0.921 111.7 46.9 -59.6 -47.0 2.5 65.5 89.4 253 256 A L H < S+ 0 0 2 -4,-2.2 3,-0.4 1,-0.2 -1,-0.2 0.861 109.4 53.4 -65.0 -39.1 6.0 64.6 88.4 254 257 A Q H < S+ 0 0 71 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.864 112.7 43.3 -67.3 -35.0 6.5 67.7 86.4 255 258 A R H < S+ 0 0 187 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.533 122.8 37.4 -89.8 -4.9 5.6 70.0 89.3 256 259 A D >< - 0 0 51 -4,-0.7 3,-2.1 -3,-0.4 -1,-0.2 -0.654 56.5-178.2-149.0 89.3 7.6 67.9 91.9 257 260 A P G > S+ 0 0 96 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 0.716 80.4 74.5 -56.3 -23.7 11.0 66.4 90.9 258 261 A S G 3 S+ 0 0 88 1,-0.3 4,-0.3 2,-0.1 -5,-0.1 0.645 86.1 64.8 -68.8 -11.7 11.3 64.9 94.3 259 262 A L G <> S+ 0 0 33 -3,-2.1 4,-2.0 -6,-0.2 -1,-0.3 0.484 75.3 95.0 -86.1 -2.1 8.7 62.3 93.2 260 263 A L H <> S+ 0 0 19 -3,-2.0 4,-2.6 1,-0.2 5,-0.2 0.901 77.5 54.2 -60.8 -45.1 11.0 60.9 90.6 261 264 A P H > S+ 0 0 84 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.927 112.0 45.3 -56.6 -43.6 12.4 58.0 92.6 262 265 A G H > S+ 0 0 25 -4,-0.3 4,-1.9 1,-0.2 -2,-0.2 0.863 110.5 54.8 -65.4 -37.9 8.9 56.7 93.4 263 266 A A H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.917 105.8 51.5 -60.6 -45.1 7.9 57.2 89.8 264 267 A I H X S+ 0 0 1 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.896 108.3 52.3 -61.7 -38.9 10.8 55.0 88.6 265 268 A E H X S+ 0 0 38 -4,-1.7 4,-2.5 -5,-0.2 -1,-0.2 0.895 110.2 47.8 -63.9 -38.7 9.8 52.3 91.0 266 269 A E H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.884 108.9 53.6 -71.0 -36.9 6.2 52.3 89.7 267 270 A M H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 5,-0.3 0.930 111.7 47.1 -57.9 -44.8 7.5 52.2 86.1 268 271 A L H X S+ 0 0 5 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.927 112.2 48.2 -62.2 -47.7 9.5 49.1 87.1 269 272 A R H < S+ 0 0 0 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.943 116.4 44.0 -55.8 -48.4 6.6 47.4 88.9 270 273 A W H < S+ 0 0 27 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.880 117.9 40.2 -69.2 -42.6 4.2 48.1 86.0 271 274 A T H < S- 0 0 13 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.821 70.3-179.0 -83.5 -32.7 6.5 47.1 83.0 272 275 A A < - 0 0 0 -4,-2.0 31,-0.2 -5,-0.3 107,-0.2 0.838 6.9-171.9 31.4 65.9 8.2 44.0 84.5 273 276 A P S S+ 0 0 5 0, 0.0 106,-1.9 0, 0.0 2,-0.9 0.817 71.5 67.9 -61.0 -34.2 10.3 43.6 81.3 274 277 A V B -H 378 0D 20 55,-0.3 104,-0.2 104,-0.2 28,-0.2 -0.803 68.8-174.6 -82.9 106.6 11.6 40.2 82.5 275 278 A K - 0 0 17 102,-2.9 27,-0.5 -2,-0.9 28,-0.5 0.757 61.0 -10.3 -78.4 -24.2 8.4 38.2 82.4 276 279 A N E - D 0 301A 0 101,-0.7 2,-0.3 25,-0.2 -1,-0.2 -0.973 46.6-158.8-167.3 153.4 10.0 35.1 84.0 277 280 A M E - D 0 300A 26 23,-0.7 23,-2.4 -2,-0.3 2,-0.2 -0.977 30.8-126.5-128.3 145.0 13.1 33.3 85.1 278 281 A C E - D 0 299A 0 -216,-2.2 2,-0.4 -2,-0.3 21,-0.2 -0.607 17.1-166.0 -92.8 154.9 13.2 29.6 85.5 279 282 A R E - D 0 298A 7 19,-1.9 19,-2.9 -2,-0.2 2,-0.4 -0.988 16.4-137.9-130.4 139.9 14.3 27.5 88.5 280 283 A V E -CD 57 297A 25 -223,-2.7 -223,-2.6 -2,-0.4 2,-0.3 -0.859 22.5-120.7-101.6 134.9 15.0 23.7 88.3 281 284 A L E -C 56 0A 3 15,-2.7 14,-2.9 -2,-0.4 -225,-0.2 -0.553 18.0-166.6 -74.9 131.3 13.6 21.6 91.2 282 285 A T S S+ 0 0 76 -227,-1.9 2,-0.3 -2,-0.3 -1,-0.1 0.487 75.1 9.6 -94.5 -5.3 16.4 19.6 93.0 283 286 A A S S- 0 0 42 -228,-0.4 -1,-0.2 10,-0.1 2,-0.1 -0.974 91.4 -83.4-161.4 159.0 13.8 17.4 94.7 284 287 A D + 0 0 123 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.479 58.2 171.5 -62.6 141.9 10.1 16.6 94.7 285 288 A T E -I 292 0E 40 7,-2.1 7,-3.0 -2,-0.1 2,-0.8 -0.994 41.6-127.7-157.4 146.4 8.3 19.1 96.8 286 289 A E E -I 291 0E 129 -2,-0.3 2,-0.6 5,-0.2 5,-0.2 -0.877 37.8-174.3 -93.6 111.3 4.8 20.3 97.7 287 290 A F E > -I 290 0E 10 3,-2.9 3,-1.9 -2,-0.8 -257,-0.1 -0.912 59.8 -35.7-120.9 109.9 4.9 24.0 96.9 288 291 A H T 3 S- 0 0 83 -2,-0.6 -258,-0.5 1,-0.3 -1,-0.2 0.866 126.9 -40.5 43.5 44.8 2.0 26.3 97.8 289 292 A G T 3 S+ 0 0 60 1,-0.2 2,-0.4 -260,-0.1 -1,-0.3 0.291 119.9 100.6 98.6 -8.5 -0.5 23.6 97.0 290 293 A T E < -I 287 0E 11 -3,-1.9 -3,-2.9 -259,-0.0 2,-0.5 -0.935 67.1-130.6-118.3 131.2 1.1 22.2 93.9 291 294 A A E -I 286 0E 63 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.653 28.0-169.4 -78.4 125.3 3.2 19.0 93.6 292 295 A L E -I 285 0E 4 -7,-3.0 -7,-2.1 -2,-0.5 2,-0.4 -0.872 10.6-136.4-116.6 151.0 6.5 19.6 91.8 293 296 A C > - 0 0 69 -2,-0.3 3,-2.1 -9,-0.2 -12,-0.3 -0.851 26.5 -98.2-112.8 139.9 9.0 17.0 90.6 294 297 A A T 3 S+ 0 0 54 -2,-0.4 -12,-0.2 1,-0.2 -10,-0.1 -0.234 108.6 22.6 -46.2 132.9 12.7 16.8 90.8 295 298 A G T 3 S+ 0 0 57 -14,-2.9 -1,-0.2 1,-0.3 2,-0.2 0.217 93.6 114.0 92.8 -16.3 14.2 17.9 87.5 296 299 A E < - 0 0 43 -3,-2.1 -15,-2.7 -16,-0.1 2,-0.4 -0.547 62.9-124.0 -84.9 156.3 11.3 20.0 86.1 297 300 A K E - D 0 280A 32 -17,-0.2 -259,-0.7 -2,-0.2 2,-0.4 -0.821 18.9-161.2-100.4 141.5 11.6 23.8 85.7 298 301 A M E -bD 38 279A 0 -19,-2.9 -19,-1.9 -2,-0.4 2,-0.3 -0.976 15.1-132.6-119.4 133.6 9.2 26.3 87.3 299 302 A M E -bD 39 278A 0 -261,-2.6 -259,-3.2 -2,-0.4 2,-0.7 -0.616 5.2-141.7 -81.0 143.9 8.8 29.8 86.1 300 303 A L E -bD 40 277A 0 -23,-2.4 2,-1.3 -2,-0.3 -23,-0.7 -0.934 17.3-150.5 -97.5 112.1 8.8 32.8 88.4 301 304 A L E > + D 0 276A 0 -261,-2.3 4,-2.3 -2,-0.7 -25,-0.2 -0.647 19.5 177.5 -88.9 90.8 6.2 35.1 86.9 302 305 A F H > S+ 0 0 6 -2,-1.3 4,-2.0 -27,-0.5 26,-0.3 0.851 77.6 51.0 -66.1 -37.7 7.5 38.5 87.9 303 306 A E H > S+ 0 0 16 -28,-0.5 4,-0.6 2,-0.2 -1,-0.2 0.937 110.4 50.3 -64.4 -43.3 4.8 40.6 86.2 304 307 A S H >4 S+ 0 0 0 -29,-0.3 3,-1.1 1,-0.2 -261,-0.2 0.921 110.9 49.0 -58.7 -43.6 2.1 38.5 87.8 305 308 A A H >< S+ 0 0 0 -4,-2.3 3,-1.6 1,-0.3 -262,-0.3 0.887 105.9 57.8 -62.4 -37.3 3.7 39.0 91.2 306 309 A N H 3< S+ 0 0 0 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.587 109.5 44.8 -71.4 -11.3 3.9 42.7 90.6 307 310 A F T << S+ 0 0 2 -3,-1.1 2,-0.6 -4,-0.6 -1,-0.3 0.075 80.7 131.8-117.6 21.7 0.1 42.8 90.1 308 311 A D X> - 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