==== 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 30-OCT-09 3KHM . COMPND 2 MOLECULE: STEROL 14 ALPHA-DEMETHYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA CRUZI; . AUTHOR G.I.LEPESHEVA,T.Y.HARGROVE,S.ANDERSON,Z.WAWRZAK,M.R.WATERMAN . 441 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21736.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 292 66.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 36 8.2 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 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 21 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 171 38.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 1 3 1 0 0 1 2 0 1 1 0 1 2 0 0 0 1 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 2 2 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 1 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 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 24 A K 0 0 217 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -83.4 -19.1 -3.9 31.0 2 25 A T - 0 0 52 327,-0.1 328,-0.1 337,-0.1 0, 0.0 0.549 360.0-106.4-117.9 -86.5 -15.8 -2.8 32.7 3 26 A S - 0 0 93 3,-0.0 0, 0.0 0, 0.0 0, 0.0 0.597 34.8 -91.8-161.2 157.1 -16.1 -0.6 34.4 4 27 A G S S+ 0 0 55 2,-0.0 2,-1.6 0, 0.0 0, 0.0 -0.974 96.5 67.5-129.0 8.6 -15.3 1.9 33.8 5 28 A K + 0 0 217 2,-0.0 2,-0.7 0, 0.0 0, 0.0 -0.422 60.1 153.3 -86.9 62.0 -11.9 3.3 34.7 6 29 A G - 0 0 41 -2,-1.6 331,-0.1 331,-0.0 330,-0.1 -0.832 32.0-148.7 -96.2 111.8 -9.9 1.0 32.4 7 30 A K - 0 0 113 -2,-0.7 330,-0.3 328,-0.2 329,-0.0 -0.237 7.1-141.2 -73.9 166.3 -6.6 2.5 31.3 8 31 A L - 0 0 63 328,-0.1 330,-0.1 330,-0.1 3,-0.1 -0.996 13.1-119.6-137.6 130.3 -5.0 1.9 27.9 9 32 A P - 0 0 1 0, 0.0 36,-0.1 0, 0.0 37,-0.1 -0.326 51.4 -77.3 -66.3 149.7 -1.4 1.3 26.9 10 33 A P - 0 0 42 0, 0.0 36,-2.2 0, 0.0 2,-0.4 -0.103 45.3-138.9 -49.7 137.8 0.2 3.8 24.4 11 34 A V B -a 46 0A 82 34,-0.2 36,-0.2 -3,-0.1 44,-0.0 -0.876 14.3-123.8-103.5 134.1 -0.7 3.2 20.7 12 35 A Y - 0 0 39 34,-1.3 36,-0.3 -2,-0.4 2,-0.2 -0.614 30.6-114.5 -78.3 128.3 1.9 3.5 18.0 13 36 A P - 0 0 96 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.417 27.4-146.1 -66.6 128.5 1.0 6.1 15.3 14 37 A V - 0 0 53 -2,-0.2 7,-0.1 1,-0.1 33,-0.0 -0.827 10.0-154.4 -98.9 133.0 0.4 4.6 11.9 15 38 A T S S+ 0 0 138 -2,-0.4 -1,-0.1 1,-0.3 6,-0.1 0.875 92.1 34.7 -69.6 -38.6 1.3 6.5 8.7 16 39 A V > - 0 0 71 4,-0.3 4,-1.7 1,-0.1 -1,-0.3 -0.944 67.3-166.6-122.6 110.7 -1.3 4.5 6.7 17 40 A P T 4 S+ 0 0 105 0, 0.0 34,-0.6 0, 0.0 -1,-0.1 0.890 90.6 45.4 -59.1 -44.3 -4.6 3.6 8.5 18 41 A F T 4 S+ 0 0 164 1,-0.2 32,-0.1 32,-0.1 -2,-0.0 0.877 112.1 51.9 -71.4 -39.4 -5.7 1.1 5.8 19 42 A L T 4 S- 0 0 78 1,-0.2 3,-0.5 31,-0.1 31,-0.4 0.801 87.4-159.0 -65.3 -39.1 -2.4 -0.6 5.5 20 43 A G < - 0 0 4 -4,-1.7 -4,-0.3 29,-0.2 29,-0.2 -0.450 46.8 -68.9 79.7-162.2 -1.7 -1.3 9.1 21 44 A H S >> S+ 0 0 7 27,-0.6 4,-3.0 1,-0.1 3,-1.3 0.374 99.3 113.8-106.0 3.4 2.0 -1.9 9.9 22 45 A I H 3> + 0 0 83 -3,-0.5 4,-1.4 1,-0.3 5,-0.2 0.734 68.5 59.4 -45.8 -38.7 2.2 -5.2 8.1 23 46 A V H 3> S+ 0 0 73 -3,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.921 118.7 31.1 -62.3 -41.3 4.6 -4.0 5.4 24 47 A Q H <> S+ 0 0 102 -3,-1.3 4,-1.9 2,-0.2 -2,-0.2 0.917 112.9 60.5 -78.5 -46.0 7.1 -3.1 8.2 25 48 A F H < S+ 0 0 30 -4,-3.0 -3,-0.2 1,-0.2 -2,-0.2 0.745 108.4 48.4 -57.1 -24.5 6.2 -5.8 10.7 26 49 A G H < S+ 0 0 32 -4,-1.4 -1,-0.2 -5,-0.3 -2,-0.2 0.920 106.6 51.5 -81.8 -48.7 7.1 -8.4 8.0 27 50 A K H < S- 0 0 158 -4,-1.1 394,-0.3 1,-0.2 -2,-0.2 0.922 138.1 -13.3 -58.0 -49.8 10.5 -7.1 6.9 28 51 A N X + 0 0 51 -4,-1.9 4,-1.6 1,-0.1 -1,-0.2 -0.581 60.1 176.2-158.7 91.8 11.9 -6.9 10.4 29 52 A P H > S+ 0 0 4 0, 0.0 4,-3.1 0, 0.0 5,-0.4 0.828 79.9 63.7 -65.1 -35.3 9.6 -7.1 13.4 30 53 A L H > S+ 0 0 23 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.972 106.3 40.4 -55.7 -61.0 12.4 -7.0 15.9 31 54 A E H > S+ 0 0 106 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.890 117.2 52.1 -54.4 -42.2 13.6 -3.5 15.0 32 55 A F H X S+ 0 0 9 -4,-1.6 4,-2.5 2,-0.2 3,-0.4 0.965 114.2 39.0 -61.7 -57.4 10.0 -2.3 14.7 33 56 A M H X S+ 0 0 0 -4,-3.1 4,-2.7 1,-0.2 5,-0.2 0.899 115.3 54.5 -59.5 -41.6 8.8 -3.6 18.1 34 57 A Q H X S+ 0 0 71 -4,-3.1 4,-1.3 -5,-0.4 -1,-0.2 0.801 110.0 48.4 -62.5 -29.4 12.1 -2.5 19.6 35 58 A R H X S+ 0 0 91 -4,-1.7 4,-3.0 -3,-0.4 5,-0.3 0.916 109.8 49.7 -76.4 -46.9 11.4 1.0 18.1 36 59 A C H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 6,-0.3 0.938 111.9 49.5 -54.0 -50.0 7.8 1.2 19.4 37 60 A K H <>S+ 0 0 31 -4,-2.7 5,-1.3 1,-0.2 -1,-0.2 0.888 114.6 45.0 -57.9 -42.2 9.0 0.2 22.9 38 61 A R H ><5S+ 0 0 151 -4,-1.3 3,-1.1 -5,-0.2 -2,-0.2 0.943 116.3 42.6 -68.8 -49.8 11.7 2.8 22.9 39 62 A D H 3<5S+ 0 0 69 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.801 114.6 50.1 -71.6 -30.1 9.7 5.7 21.5 40 63 A L T 3<5S- 0 0 35 -4,-2.3 -1,-0.3 -5,-0.3 -2,-0.2 0.322 99.6-133.9 -92.0 7.8 6.7 5.0 23.7 41 64 A K T < 5S+ 0 0 176 -3,-1.1 2,-0.3 1,-0.1 -3,-0.2 0.821 74.6 102.2 42.2 37.4 8.8 4.8 26.8 42 65 A S < - 0 0 12 -5,-1.3 -2,-0.2 -6,-0.3 -1,-0.1 -0.954 64.3-154.1-153.1 129.2 6.8 1.7 27.6 43 66 A G S S+ 0 0 13 -2,-0.3 15,-1.4 1,-0.1 2,-0.6 0.747 91.1 63.9 -71.1 -25.0 7.5 -2.1 27.3 44 67 A V E S+ B 0 57A 4 13,-0.2 2,-0.3 14,-0.2 13,-0.2 -0.910 70.9 149.3-104.4 118.2 3.7 -2.7 27.0 45 68 A F E - B 0 56A 0 11,-1.8 11,-3.5 -2,-0.6 2,-0.5 -0.948 37.9-129.7-145.7 161.7 2.2 -1.2 23.9 46 69 A T E -aB 11 55A 2 -36,-2.2 -34,-1.3 -2,-0.3 9,-0.3 -0.965 21.9-178.0-121.9 122.9 -0.6 -1.7 21.4 47 70 A I E - B 0 54A 5 7,-2.9 7,-1.9 -2,-0.5 2,-0.6 -0.801 21.3-124.4-113.4 160.4 -0.2 -1.7 17.6 48 71 A S - 0 0 33 -2,-0.3 -27,-0.6 -36,-0.3 2,-0.2 -0.920 8.9-161.1-112.7 116.8 -2.8 -2.2 14.9 49 72 A I S > S- 0 0 45 -2,-0.6 3,-2.2 -29,-0.2 -29,-0.2 -0.534 74.4 -50.0 -65.3 158.8 -2.9 -4.6 12.1 50 73 A G T 3 S- 0 0 14 -31,-0.4 -1,-0.2 1,-0.3 -32,-0.1 -0.053 126.0 -15.1 -44.9 122.3 -5.4 -3.1 9.6 51 74 A G T 3 S+ 0 0 65 -34,-0.6 2,-0.3 1,-0.2 -1,-0.3 0.836 119.1 106.5 52.4 38.0 -8.6 -2.1 11.5 52 75 A Q < - 0 0 78 -3,-2.2 2,-0.5 2,-0.0 -3,-0.2 -0.998 65.9-128.8-147.9 150.0 -7.5 -4.2 14.5 53 76 A R + 0 0 76 -2,-0.3 290,-1.7 -5,-0.2 2,-0.4 -0.868 27.1 173.2-103.2 125.3 -6.2 -3.8 18.0 54 77 A V E -Bc 47 343A 12 -7,-1.9 -7,-2.9 -2,-0.5 2,-0.6 -0.954 13.0-162.1-135.4 115.3 -3.1 -5.8 19.1 55 78 A T E -Bc 46 344A 1 288,-2.4 290,-3.1 -2,-0.4 2,-0.6 -0.857 8.9-153.3-102.0 122.4 -1.4 -5.3 22.4 56 79 A I E -Bc 45 345A 1 -11,-3.5 -11,-1.8 -2,-0.6 2,-1.5 -0.830 8.4-148.0 -99.5 120.0 2.1 -6.5 22.8 57 80 A V E +B 44 0A 1 288,-2.7 290,-0.4 -2,-0.6 -13,-0.2 -0.672 34.5 157.6 -82.0 86.9 3.5 -7.5 26.2 58 81 A G + 0 0 0 -2,-1.5 -14,-0.2 -15,-1.4 -1,-0.1 0.001 40.4 97.4-103.4 27.4 7.1 -6.5 25.7 59 82 A D > - 0 0 38 1,-0.1 3,-3.4 295,-0.0 4,-0.2 -0.926 63.4-151.6-120.2 107.0 8.0 -6.1 29.3 60 83 A P G > S+ 0 0 2 0, 0.0 3,-1.4 0, 0.0 4,-0.2 0.776 95.0 61.7 -47.0 -36.7 9.7 -9.2 30.8 61 84 A H G 3 S+ 0 0 90 1,-0.3 3,-0.3 2,-0.1 4,-0.2 0.714 102.7 52.5 -61.3 -21.1 8.3 -8.3 34.3 62 85 A E G X> S+ 0 0 33 -3,-3.4 4,-0.6 1,-0.2 3,-0.6 0.307 70.6 106.6-105.8 7.3 4.8 -8.7 33.0 63 86 A H H X> S+ 0 0 9 -3,-1.4 4,-2.4 1,-0.3 3,-1.5 0.870 76.3 61.2 -55.7 -39.1 5.0 -12.2 31.4 64 87 A S H 3> S+ 0 0 77 -3,-0.3 4,-2.5 1,-0.3 -1,-0.3 0.929 95.7 60.3 -49.1 -50.2 3.0 -13.6 34.3 65 88 A R H <4 S+ 0 0 106 -3,-0.6 -1,-0.3 1,-0.2 -2,-0.2 0.718 114.5 36.5 -54.7 -22.0 0.1 -11.3 33.3 66 89 A F H << S+ 0 0 1 -3,-1.5 -1,-0.2 -4,-0.6 -2,-0.2 0.830 122.2 37.3-100.0 -40.8 0.0 -13.0 29.9 67 90 A F H < S+ 0 0 6 -4,-2.4 316,-2.4 1,-0.1 317,-0.4 0.659 110.7 57.3 -91.8 -17.8 0.8 -16.7 30.6 68 91 A S S < S+ 0 0 66 -4,-2.5 -3,-0.1 -5,-0.3 -1,-0.1 0.851 79.5 93.6 -89.3 -37.1 -1.0 -17.2 33.9 69 92 A P S S- 0 0 28 0, 0.0 314,-0.2 0, 0.0 2,-0.1 -0.290 78.6-116.5 -59.0 140.6 -4.6 -16.3 33.0 70 93 A R >> - 0 0 162 1,-0.1 3,-2.5 313,-0.0 4,-1.8 -0.353 28.6 -98.3 -80.8 160.7 -6.8 -19.3 32.0 71 94 A N T 34 S+ 0 0 16 1,-0.3 257,-0.1 2,-0.2 -1,-0.1 0.804 119.4 69.6 -46.4 -36.9 -8.4 -19.7 28.6 72 95 A E T 34 S+ 0 0 109 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.854 113.6 28.4 -51.5 -37.8 -11.6 -18.4 29.9 73 96 A I T <4 S+ 0 0 58 -3,-2.5 255,-2.5 1,-0.3 256,-0.9 0.926 135.1 28.0 -87.4 -59.7 -10.0 -15.0 30.2 74 97 A L E < S-D 327 0A 0 -4,-1.8 -1,-0.3 253,-0.2 253,-0.2 -0.912 78.9-163.6-108.2 110.8 -7.4 -15.2 27.4 75 98 A S E -D 326 0A 0 251,-2.7 251,-4.3 -2,-0.6 4,-0.3 -0.815 17.6-176.2-102.4 127.0 -8.5 -17.5 24.6 76 99 A P > + 0 0 0 0, 0.0 4,-1.6 0, 0.0 3,-0.4 0.659 69.6 84.1 -88.8 -19.6 -6.1 -18.9 22.0 77 100 A R T 4 S+ 0 0 68 1,-0.2 3,-0.2 2,-0.2 16,-0.1 0.881 87.2 52.5 -53.9 -45.6 -8.7 -20.7 19.9 78 101 A E T >4 S+ 0 0 61 1,-0.2 3,-0.8 2,-0.2 -1,-0.2 0.864 109.8 48.2 -63.6 -39.7 -9.7 -17.7 17.9 79 102 A V T 34 S+ 0 0 29 -3,-0.4 3,-0.4 -4,-0.3 -1,-0.2 0.833 112.3 47.2 -66.9 -36.1 -6.2 -16.8 16.8 80 103 A Y T >< S+ 0 0 49 -4,-1.6 3,-0.7 -3,-0.2 -1,-0.2 -0.099 70.7 117.5-104.2 32.4 -5.2 -20.2 15.8 81 104 A T G X + 0 0 63 -3,-0.8 3,-2.5 1,-0.2 -1,-0.2 0.874 66.0 71.1 -60.8 -35.3 -8.2 -21.0 13.7 82 105 A I G 3 S+ 0 0 97 -3,-0.4 -1,-0.2 1,-0.3 4,-0.2 0.816 92.3 55.1 -55.9 -35.5 -6.0 -21.2 10.7 83 106 A M G X> S+ 0 0 26 -3,-0.7 4,-2.5 1,-0.2 3,-0.8 0.453 78.4 94.9 -83.0 1.6 -4.5 -24.4 11.9 84 107 A T H <> S+ 0 0 28 -3,-2.5 4,-4.5 1,-0.3 -1,-0.2 0.945 79.8 55.4 -61.1 -46.1 -7.7 -26.3 12.2 85 108 A P H 34 S+ 0 0 51 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.798 114.4 44.6 -52.5 -28.8 -7.6 -27.9 8.8 86 109 A V H <4 S+ 0 0 3 -3,-0.8 -2,-0.2 -4,-0.2 -3,-0.1 0.947 126.6 26.2 -82.2 -55.7 -4.2 -29.2 9.9 87 110 A F H < S- 0 0 20 -4,-2.5 -3,-0.2 1,-0.1 164,-0.1 0.830 115.6-124.6 -76.1 -34.0 -5.0 -30.5 13.4 88 111 A G >< - 0 0 1 -4,-4.5 3,-1.2 -5,-0.5 6,-0.2 -0.208 31.6 -51.2 110.2 160.1 -8.6 -31.0 12.5 89 112 A E T 3 S+ 0 0 132 1,-0.3 3,-0.1 -4,-0.1 6,-0.1 -0.486 124.8 15.5 -66.9 135.4 -12.1 -29.9 13.8 90 113 A G T 3 S+ 0 0 33 1,-0.3 2,-0.4 -2,-0.2 -1,-0.3 0.791 102.5 118.4 69.3 28.8 -12.5 -30.5 17.5 91 114 A V S X S- 0 0 1 -3,-1.2 3,-1.6 4,-0.1 -1,-0.3 -0.982 78.7 -34.2-127.2 138.1 -8.8 -30.9 18.0 92 115 A A G > S- 0 0 9 -2,-0.4 3,-1.4 1,-0.3 8,-0.1 -0.280 134.2 -2.0 56.8-131.1 -6.6 -28.8 20.1 93 116 A Y G 3 S+ 0 0 57 1,-0.3 -1,-0.3 -13,-0.1 -16,-0.1 0.876 128.5 67.5 -61.4 -38.7 -7.7 -25.3 20.0 94 117 A A G < S+ 0 0 34 -3,-1.6 -1,-0.3 -6,-0.2 -2,-0.2 0.828 97.9 65.1 -50.9 -34.3 -10.5 -26.1 17.7 95 118 A A S < S- 0 0 3 -3,-1.4 -4,-0.1 -4,-0.2 -18,-0.1 -0.394 104.2 -80.3 -87.3 165.5 -12.1 -28.1 20.5 96 119 A P >> - 0 0 70 0, 0.0 4,-3.1 0, 0.0 3,-0.9 -0.343 43.7-116.0 -62.9 149.7 -13.5 -26.8 23.8 97 120 A Y H 3> S+ 0 0 13 1,-0.3 4,-3.3 2,-0.2 5,-0.3 0.826 112.1 60.4 -67.2 -36.9 -10.8 -26.2 26.4 98 121 A P H 3> S+ 0 0 73 0, 0.0 4,-0.8 0, 0.0 -1,-0.3 0.876 116.7 35.7 -53.0 -38.4 -12.1 -28.9 28.9 99 122 A R H <> S+ 0 0 117 -3,-0.9 4,-2.6 2,-0.2 -2,-0.2 0.891 114.3 56.1 -82.0 -44.8 -11.4 -31.4 26.1 100 123 A M H X S+ 0 0 6 -4,-3.1 4,-2.5 1,-0.2 5,-0.3 0.941 104.1 54.4 -49.6 -53.5 -8.3 -29.6 24.7 101 124 A R H X S+ 0 0 88 -4,-3.3 4,-2.2 1,-0.2 -1,-0.2 0.891 110.1 47.8 -48.7 -44.9 -6.7 -29.8 28.1 102 125 A E H X S+ 0 0 23 -4,-0.8 4,-2.0 -5,-0.3 -1,-0.2 0.941 108.9 52.6 -63.1 -50.0 -7.3 -33.6 28.1 103 126 A Q H X S+ 0 0 2 -4,-2.6 4,-1.7 1,-0.2 3,-0.3 0.938 113.4 43.0 -51.4 -53.6 -5.9 -34.1 24.6 104 127 A L H X S+ 0 0 35 -4,-2.5 4,-3.0 1,-0.2 -1,-0.2 0.895 108.7 58.6 -63.1 -42.1 -2.7 -32.3 25.3 105 128 A N H X S+ 0 0 77 -4,-2.2 4,-2.2 -5,-0.3 -1,-0.2 0.855 106.1 49.9 -55.8 -37.1 -2.3 -34.0 28.7 106 129 A F H X S+ 0 0 46 -4,-2.0 4,-0.6 -3,-0.3 -1,-0.2 0.909 111.4 47.4 -68.3 -43.4 -2.3 -37.4 26.9 107 130 A L H >X S+ 0 0 6 -4,-1.7 3,-0.7 1,-0.2 4,-0.5 0.877 111.2 53.2 -63.1 -38.4 0.3 -36.2 24.4 108 131 A A H >< S+ 0 0 27 -4,-3.0 3,-1.9 1,-0.2 4,-0.3 0.932 101.9 57.0 -61.7 -47.2 2.3 -34.9 27.3 109 132 A E H 3< S+ 0 0 122 -4,-2.2 3,-0.3 1,-0.3 -1,-0.2 0.692 106.1 53.3 -58.2 -18.1 2.2 -38.2 29.1 110 133 A E H << S+ 0 0 21 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.589 110.3 44.5 -94.4 -13.0 3.8 -39.7 26.0 111 134 A L S << S+ 0 0 13 -3,-1.9 280,-0.2 -4,-0.5 -2,-0.2 0.118 86.0 129.3-115.9 18.3 6.7 -37.3 25.9 112 135 A T S > S- 0 0 45 -3,-0.3 3,-2.6 -4,-0.3 4,-0.3 -0.345 77.8-103.8 -76.6 156.6 7.6 -37.5 29.6 113 136 A I G > S+ 0 0 61 1,-0.3 3,-0.7 2,-0.2 -1,-0.1 0.694 118.5 69.6 -51.6 -17.9 11.1 -38.1 30.9 114 137 A A G 3 S+ 0 0 77 1,-0.2 3,-0.4 2,-0.1 -1,-0.3 0.803 93.1 52.5 -70.3 -31.6 9.7 -41.6 31.6 115 138 A K G < S+ 0 0 80 -3,-2.6 3,-0.5 1,-0.2 4,-0.2 0.413 81.0 90.6 -91.4 1.8 9.4 -42.7 28.0 116 139 A F <> + 0 0 0 -3,-0.7 4,-0.7 -4,-0.3 -1,-0.2 0.164 48.9 123.1 -84.4 20.2 13.0 -41.8 26.9 117 140 A Q T 4 S+ 0 0 155 -3,-0.4 179,-0.3 1,-0.2 -1,-0.2 0.869 91.4 6.1 -56.9 -46.3 14.2 -45.3 27.8 118 141 A N T > S+ 0 0 109 -3,-0.5 4,-2.1 2,-0.1 -1,-0.2 0.414 102.0 103.3-113.8 -0.9 15.6 -46.2 24.3 119 142 A F H > S+ 0 0 23 -4,-0.2 4,-3.1 1,-0.2 5,-0.2 0.851 76.9 56.0 -52.9 -42.7 15.1 -42.8 22.6 120 143 A V H X S+ 0 0 1 -4,-0.7 4,-3.2 2,-0.2 5,-0.3 0.967 109.6 42.0 -58.8 -61.1 18.8 -41.9 22.9 121 144 A P H > S+ 0 0 56 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.859 114.6 55.1 -52.7 -37.7 20.3 -44.9 21.1 122 145 A A H X S+ 0 0 19 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.939 112.7 41.0 -61.4 -49.1 17.4 -44.6 18.6 123 146 A I H X S+ 0 0 0 -4,-3.1 4,-2.5 2,-0.2 3,-0.4 0.986 114.4 50.0 -60.1 -60.4 18.4 -41.0 17.9 124 147 A Q H X S+ 0 0 4 -4,-3.2 4,-1.8 1,-0.3 -1,-0.2 0.820 110.8 54.0 -49.8 -33.7 22.1 -41.6 17.8 125 148 A H H X S+ 0 0 100 -4,-2.0 4,-1.9 -5,-0.3 -1,-0.3 0.939 109.8 43.9 -66.4 -48.6 21.4 -44.5 15.5 126 149 A E H X S+ 0 0 17 -4,-2.0 4,-1.3 -3,-0.4 -2,-0.2 0.834 111.1 55.3 -69.7 -33.4 19.5 -42.4 12.9 127 150 A V H >X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 3,-0.7 0.972 110.6 42.8 -63.4 -55.6 22.0 -39.5 13.0 128 151 A R H 3X S+ 0 0 55 -4,-1.8 4,-2.7 1,-0.2 5,-0.2 0.879 110.9 57.9 -55.9 -39.7 25.0 -41.7 12.1 129 152 A K H 3X S+ 0 0 98 -4,-1.9 4,-0.6 1,-0.2 -1,-0.2 0.801 111.1 42.6 -63.7 -29.6 22.8 -43.5 9.5 130 153 A F H -F 434 0B 21 -2,-0.2 4,-1.9 291,-0.2 291,-0.3 -0.883 26.8-161.0-101.0 111.4 23.4 -27.2 3.7 144 167 A L H > S+ 0 0 0 289,-2.8 4,-2.6 -2,-0.7 5,-0.2 0.869 86.7 53.0 -60.9 -41.7 23.0 -27.4 7.5 145 168 A L H > S+ 0 0 31 288,-0.3 4,-1.7 285,-0.2 -1,-0.2 0.920 112.0 43.6 -63.1 -46.8 19.4 -26.2 7.6 146 169 A E H > S+ 0 0 124 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.844 116.7 48.3 -65.9 -33.9 18.1 -28.7 5.1 147 170 A D H X S+ 0 0 19 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.825 108.5 52.0 -80.2 -33.6 20.1 -31.5 6.7 148 171 A C H X S+ 0 0 1 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.883 105.9 55.9 -67.8 -39.3 19.0 -30.7 10.3 149 172 A G H X S+ 0 0 12 -4,-1.7 4,-1.8 -5,-0.2 -1,-0.2 0.859 111.1 45.0 -58.2 -36.7 15.4 -30.8 9.1 150 173 A A H X S+ 0 0 32 -4,-1.0 4,-2.7 2,-0.2 5,-0.3 0.922 113.3 47.7 -75.0 -46.7 16.0 -34.3 7.8 151 174 A M H X S+ 0 0 3 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.911 112.5 51.4 -59.8 -42.8 17.8 -35.5 10.9 152 175 A I H X S+ 0 0 2 -4,-2.9 4,-3.0 2,-0.2 5,-0.2 0.955 113.6 42.0 -59.0 -53.0 15.1 -34.1 13.1 153 176 A I H X S+ 0 0 6 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.935 118.2 45.2 -64.1 -48.9 12.2 -35.8 11.3 154 177 A N H X S+ 0 0 34 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.940 115.7 47.9 -57.5 -49.2 14.0 -39.1 10.9 155 178 A T H X S+ 0 0 0 -4,-2.9 4,-1.0 -5,-0.3 -2,-0.2 0.933 110.6 50.5 -58.6 -50.0 15.2 -39.1 14.5 156 179 A A H X S+ 0 0 6 -4,-3.0 4,-2.3 -5,-0.2 3,-0.5 0.880 110.8 49.9 -57.0 -41.0 11.8 -38.1 15.9 157 180 A C H X S+ 0 0 3 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.879 104.0 57.8 -67.7 -39.2 10.1 -41.0 13.9 158 181 A Q H < S+ 0 0 40 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.771 115.1 40.2 -59.1 -24.7 12.7 -43.5 15.2 159 182 A C H < S+ 0 0 13 -4,-1.0 -2,-0.2 -3,-0.5 -1,-0.2 0.864 126.5 27.3 -91.9 -41.9 11.5 -42.5 18.7 160 183 A L H < S+ 0 0 6 -4,-2.3 65,-0.9 -5,-0.1 66,-0.7 0.444 106.6 76.7-110.7 -3.6 7.8 -42.2 18.4 161 184 A F S < S- 0 0 6 -4,-2.2 2,-0.0 -5,-0.2 0, 0.0 -0.930 73.8-129.0-115.4 134.6 6.9 -44.5 15.5 162 185 A G > - 0 0 15 -2,-0.4 4,-2.6 1,-0.1 5,-0.3 -0.290 30.3-100.4 -78.3 162.6 6.8 -48.3 15.8 163 186 A E H > S+ 0 0 128 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.901 123.7 45.2 -44.9 -52.5 8.5 -50.8 13.6 164 187 A D H > S+ 0 0 63 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.905 113.0 50.0 -61.7 -44.0 5.4 -51.5 11.6 165 188 A L H > S+ 0 0 0 1,-0.2 4,-4.5 2,-0.2 -1,-0.2 0.905 108.3 51.5 -64.2 -43.8 4.4 -47.8 11.3 166 189 A R H < S+ 0 0 51 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.906 110.9 46.7 -63.8 -44.5 7.8 -46.7 10.0 167 190 A K H < S+ 0 0 186 -4,-1.7 3,-0.3 -5,-0.3 -1,-0.2 0.880 120.1 40.9 -64.4 -38.7 8.0 -49.3 7.2 168 191 A R H < S+ 0 0 110 -4,-1.9 2,-0.9 1,-0.3 -2,-0.2 0.935 122.7 40.5 -72.6 -49.5 4.5 -48.5 6.2 169 192 A L S < S- 0 0 1 -4,-4.5 -1,-0.3 -5,-0.2 5,-0.2 -0.755 92.6-139.0-104.5 86.3 4.9 -44.7 6.7 170 193 A N > - 0 0 88 -2,-0.9 4,-1.9 -3,-0.3 5,-0.1 -0.067 11.6-128.8 -43.0 136.8 8.3 -43.9 5.3 171 194 A A H > S+ 0 0 24 1,-0.2 4,-1.2 2,-0.2 3,-0.3 0.942 109.2 40.4 -58.1 -52.8 10.1 -41.4 7.4 172 195 A R H > S+ 0 0 196 1,-0.2 4,-1.5 2,-0.2 3,-0.3 0.895 111.6 58.5 -61.9 -41.0 11.0 -39.0 4.6 173 196 A H H > S+ 0 0 42 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.829 99.8 58.1 -59.2 -33.7 7.5 -39.6 3.1 174 197 A F H X S+ 0 0 1 -4,-1.9 4,-3.1 -3,-0.3 -1,-0.2 0.897 103.3 51.4 -64.6 -41.2 6.0 -38.3 6.3 175 198 A A H X S+ 0 0 31 -4,-1.2 4,-2.6 -3,-0.3 -1,-0.2 0.833 104.4 60.0 -62.7 -32.8 7.8 -35.0 5.9 176 199 A Q H X S+ 0 0 117 -4,-1.5 4,-1.3 2,-0.2 -2,-0.2 0.943 111.2 38.3 -57.2 -50.2 6.4 -35.0 2.3 177 200 A L H X S+ 0 0 1 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.907 114.1 55.7 -66.6 -43.3 2.9 -35.0 3.8 178 201 A L H < S+ 0 0 6 -4,-3.1 4,-0.2 1,-0.2 -2,-0.2 0.883 107.0 50.3 -57.1 -40.3 3.8 -32.7 6.6 179 202 A S H >X S+ 0 0 72 -4,-2.6 3,-0.8 1,-0.2 4,-0.7 0.835 108.2 52.2 -69.8 -34.2 5.1 -30.1 4.1 180 203 A K H >< S+ 0 0 42 -4,-1.3 3,-0.6 1,-0.2 -1,-0.2 0.848 101.8 60.0 -69.4 -34.8 1.9 -30.2 2.1 181 204 A M T 3< S+ 0 0 1 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.563 108.3 46.7 -70.1 -7.2 -0.2 -29.6 5.2 182 205 A E T X4 S+ 0 0 37 -3,-0.8 3,-3.6 -4,-0.2 -1,-0.2 0.559 79.7 94.6-108.5 -15.3 1.7 -26.3 5.6 183 206 A S T << S+ 0 0 66 -4,-0.7 3,-0.2 -3,-0.6 -2,-0.1 0.551 91.0 50.6 -55.0 -3.8 1.4 -25.2 2.0 184 207 A S T 3 S+ 0 0 51 -4,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.410 91.6 75.2-113.2 -3.8 -1.6 -23.3 3.4 185 208 A L < + 0 0 41 -3,-3.6 -2,-0.1 1,-0.1 -1,-0.1 -0.117 67.4 100.4-101.2 35.1 0.1 -21.7 6.3 186 209 A I S S- 0 0 118 -3,-0.2 2,-0.2 2,-0.1 -1,-0.1 -0.703 76.1-129.2-118.8 78.2 1.9 -19.1 4.2 187 210 A P 0 0 96 0, 0.0 -2,-0.0 0, 0.0 -3,-0.0 -0.565 360.0 360.0 -84.5 138.6 -0.2 -15.9 4.7 188 211 A A 0 0 96 -2,-0.2 -2,-0.1 0, 0.0 0, 0.0 -0.840 360.0 360.0 62.1 360.0 -1.2 -14.3 2.7 189 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 190 218 A L > 0 0 123 0, 0.0 3,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -17.7 -7.5 -12.4 3.2 191 219 A L T 3 + 0 0 139 1,-0.3 4,-0.1 4,-0.0 0, 0.0 0.827 360.0 47.5 -59.4 -33.7 -7.6 -11.8 7.0 192 220 A R T 3 S+ 0 0 156 2,-0.1 -1,-0.3 0, 0.0 0, 0.0 0.754 109.1 64.3 -79.4 -26.4 -10.7 -9.6 6.6 193 221 A L S < S- 0 0 122 -3,-0.5 0, 0.0 1,-0.2 0, 0.0 -0.394 99.5 -72.3 -96.1 174.3 -12.5 -12.0 4.4 194 222 A P - 0 0 100 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.195 54.1 -98.7 -67.7 156.2 -13.8 -15.6 5.1 195 223 A L - 0 0 149 -4,-0.1 2,-0.3 1,-0.0 -4,-0.0 -0.561 33.2-148.2 -81.2 135.9 -11.5 -18.6 5.4 196 224 A P - 0 0 96 0, 0.0 2,-0.2 0, 0.0 -1,-0.0 -0.775 18.2-113.5-101.4 148.6 -11.0 -20.9 2.4 197 225 A Q - 0 0 168 -2,-0.3 2,-0.6 1,-0.0 0, 0.0 -0.515 23.1-132.2 -78.6 146.5 -10.3 -24.6 2.6 198 226 A S > - 0 0 27 -2,-0.2 4,-2.4 1,-0.2 5,-0.2 -0.891 11.8-165.8-103.1 117.0 -6.9 -26.0 1.5 199 227 A A H > S+ 0 0 48 -2,-0.6 4,-2.6 2,-0.2 5,-0.3 0.919 90.6 55.4 -63.0 -45.1 -7.1 -29.0 -0.9 200 228 A R H > S+ 0 0 148 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.933 112.4 41.7 -51.6 -52.2 -3.4 -29.8 -0.3 201 229 A C H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.939 113.5 51.3 -65.3 -49.6 -3.8 -30.0 3.5 202 230 A R H X S+ 0 0 153 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.916 113.9 44.4 -54.4 -48.0 -7.1 -31.9 3.5 203 231 A E H X S+ 0 0 97 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.928 112.5 50.1 -64.8 -47.9 -5.7 -34.6 1.1 204 232 A A H X S+ 0 0 0 -4,-2.2 4,-1.4 -5,-0.3 -1,-0.2 0.845 113.0 47.3 -62.5 -35.4 -2.4 -35.0 2.9 205 233 A R H X S+ 0 0 17 -4,-2.3 4,-2.9 2,-0.2 -1,-0.2 0.897 112.7 47.5 -73.5 -42.2 -4.1 -35.4 6.3 206 234 A A H X S+ 0 0 51 -4,-2.2 4,-2.3 -5,-0.3 -2,-0.2 0.840 110.2 54.3 -66.3 -34.1 -6.6 -37.9 5.0 207 235 A E H X S+ 0 0 75 -4,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.871 113.5 42.1 -64.5 -38.2 -3.7 -39.7 3.3 208 236 A L H X S+ 0 0 1 -4,-1.4 4,-2.4 -5,-0.2 -2,-0.2 0.880 112.5 53.4 -74.6 -40.3 -2.0 -39.9 6.7 209 237 A Q H X S+ 0 0 45 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.895 108.3 50.0 -64.0 -41.8 -5.2 -40.7 8.6 210 238 A K H X S+ 0 0 141 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.968 109.6 50.0 -60.2 -55.2 -6.0 -43.7 6.3 211 239 A I H X S+ 0 0 13 -4,-1.5 4,-1.9 1,-0.3 3,-0.5 0.940 112.7 47.1 -46.7 -55.2 -2.5 -45.1 6.7 212 240 A L H X S+ 0 0 4 -4,-2.4 4,-1.7 1,-0.2 -1,-0.3 0.876 108.5 57.1 -55.2 -39.6 -2.7 -44.8 10.5 213 241 A G H X S+ 0 0 15 -4,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.873 106.0 49.2 -59.7 -39.3 -6.2 -46.4 10.3 214 242 A E H X S+ 0 0 77 -4,-2.2 4,-2.5 -3,-0.5 5,-0.2 0.886 106.2 55.6 -69.3 -40.5 -4.7 -49.5 8.5 215 243 A I H X S+ 0 0 8 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.869 104.3 55.0 -59.5 -38.0 -2.0 -49.9 11.1 216 244 A I H X S+ 0 0 51 -4,-1.7 4,-1.1 2,-0.2 -1,-0.2 0.880 109.2 47.0 -63.7 -39.3 -4.6 -50.0 13.9 217 245 A V H < S+ 0 0 107 -4,-1.2 3,-0.2 2,-0.2 -2,-0.2 0.926 115.4 44.5 -67.2 -46.3 -6.4 -52.9 12.1 218 246 A A H < S+ 0 0 77 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.849 110.2 56.2 -65.8 -35.1 -3.2 -54.8 11.5 219 247 A R H < S+ 0 0 88 -4,-2.6 2,-2.2 1,-0.3 -1,-0.2 0.790 90.5 76.5 -68.0 -28.2 -2.1 -54.1 15.1 220 248 A E < 0 0 137 -4,-1.1 -1,-0.3 -3,-0.2 -4,-0.1 -0.345 360.0 360.0 -80.2 59.2 -5.3 -55.7 16.2 221 249 A K 0 0 229 -2,-2.2 -1,-0.2 -3,-0.1 0, 0.0 0.147 360.0 360.0 26.2 360.0 -4.0 -59.1 15.6 222 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 223 259 A S 0 0 147 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -47.1 4.9 -48.4 23.4 224 260 A D > - 0 0 17 1,-0.1 4,-3.4 4,-0.0 5,-0.2 -0.178 360.0 -98.6 -74.8 167.3 5.0 -45.8 20.7 225 261 A L H > S+ 0 0 5 -65,-0.9 4,-1.8 1,-0.2 5,-0.1 0.877 123.0 52.4 -59.9 -39.5 3.1 -42.6 20.7 226 262 A L H > S+ 0 0 2 -66,-0.7 4,-1.5 2,-0.2 3,-0.4 0.971 111.7 44.9 -64.1 -46.3 0.4 -44.0 18.6 227 263 A G H >> S+ 0 0 8 1,-0.3 4,-1.4 2,-0.2 3,-0.9 0.971 109.4 55.9 -62.6 -46.0 -0.1 -46.9 20.8 228 264 A G H 3< S+ 0 0 10 -4,-3.4 4,-0.3 1,-0.3 -1,-0.3 0.864 106.4 52.3 -51.5 -35.7 0.0 -44.8 23.9 229 265 A L H >< S+ 0 0 1 -4,-1.8 3,-1.0 -3,-0.4 11,-0.4 0.808 101.1 59.8 -73.3 -31.3 -2.8 -42.7 22.4 230 266 A L H << S+ 0 0 65 -4,-1.5 -1,-0.2 -3,-0.9 -2,-0.2 0.903 99.2 56.1 -63.6 -41.7 -5.1 -45.6 21.8 231 267 A K T 3< S+ 0 0 171 -4,-1.4 -1,-0.3 8,-0.1 -2,-0.2 0.642 86.2 119.8 -63.6 -13.3 -5.1 -46.7 25.4 232 268 A A < - 0 0 8 -3,-1.0 8,-0.5 -4,-0.3 2,-0.4 -0.236 40.9-177.2 -62.3 137.4 -6.4 -43.1 26.1 233 269 A V B -H 239 0C 84 6,-0.2 6,-0.2 4,-0.0 -2,-0.0 -1.000 20.1-126.1-136.0 139.2 -9.7 -42.7 27.8 234 270 A Y > - 0 0 25 4,-3.9 3,-1.3 -2,-0.4 4,-0.1 -0.162 30.3-103.4 -78.5 173.7 -11.6 -39.5 28.7 235 271 A R T 3 S+ 0 0 214 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.501 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0.943 110.3 49.3 -66.0 -49.5 -5.4 -39.5 17.3 246 282 A C H X S+ 0 0 0 -4,-3.0 4,-2.8 -5,-0.2 -2,-0.2 0.907 110.2 54.0 -53.3 -44.2 -4.1 -38.5 13.8 247 283 A G H X S+ 0 0 0 -4,-1.9 4,-3.0 -5,-0.3 -2,-0.2 0.937 107.1 47.9 -57.5 -52.3 -4.5 -34.8 14.9 248 284 A M H X S+ 0 0 1 -4,-2.1 4,-3.0 2,-0.2 -1,-0.2 0.914 113.7 47.6 -58.4 -46.3 -2.4 -35.1 18.0 249 285 A I H X S+ 0 0 2 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.941 111.9 49.8 -59.3 -49.9 0.4 -37.0 16.2 250 286 A V H X S+ 0 0 0 -4,-2.8 4,-3.2 1,-0.2 5,-0.2 0.924 113.1 47.3 -53.7 -47.6 0.3 -34.4 13.4 251 287 A A H X S+ 0 0 18 -4,-3.0 4,-3.3 2,-0.2 5,-0.3 0.929 111.1 50.9 -60.0 -47.8 0.5 -31.6 15.9 252 288 A A H X S+ 0 0 15 -4,-3.0 4,-1.6 1,-0.2 -2,-0.2 0.903 116.3 41.1 -56.9 -43.7 3.3 -33.3 17.8 253 289 A M H X S+ 0 0 10 -4,-2.7 4,-2.9 2,-0.2 -2,-0.2 0.908 116.6 48.0 -75.0 -43.2 5.4 -33.8 14.6 254 290 A F H X S+ 0 0 35 -4,-3.2 4,-1.2 -5,-0.3 5,-0.3 0.957 111.7 50.2 -58.4 -53.1 4.6 -30.4 13.2 255 291 A A H X S+ 0 0 54 -4,-3.3 4,-1.0 -5,-0.2 5,-0.2 0.890 118.2 39.5 -53.1 -43.6 5.4 -28.6 16.5 256 292 A G H X>S+ 0 0 22 -4,-1.6 4,-2.6 -5,-0.3 5,-0.5 0.940 104.6 64.2 -74.9 -49.7 8.7 -30.4 16.7 257 293 A Q H X5S+ 0 0 29 -4,-2.9 4,-1.6 1,-0.2 -2,-0.1 0.861 111.8 30.9 -44.2 -56.2 9.9 -30.4 13.1 258 294 A H H X5S+ 0 0 57 -4,-1.2 4,-1.0 2,-0.2 -1,-0.2 0.880 120.9 46.9 -80.7 -40.5 10.3 -26.7 12.7 259 295 A T H X5S+ 0 0 37 -4,-1.0 4,-2.1 -5,-0.3 -2,-0.2 0.891 118.4 41.0 -69.6 -40.2 11.3 -25.5 16.2 260 296 A S H X5S+ 0 0 3 -4,-2.6 4,-3.0 2,-0.2 5,-0.3 0.901 110.7 54.5 -76.6 -43.9 13.9 -28.2 16.8 261 297 A T H X< S+ 0 0 3 -4,-2.2 3,-1.8 2,-0.2 6,-0.4 0.991 116.0 44.6 -61.6 -63.8 27.3 -20.6 16.8 271 307 A L H 3< S+ 0 0 1 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.797 110.8 59.9 -48.2 -30.2 29.7 -23.3 18.1 272 308 A M H 3< S+ 0 0 13 -4,-1.1 139,-0.3 -5,-0.3 -1,-0.3 0.785 85.8 92.4 -73.4 -28.7 30.8 -23.5 14.5 273 309 A H S X< S- 0 0 25 -3,-1.8 3,-2.3 -4,-1.0 142,-0.1 -0.482 78.1-133.4 -75.6 134.2 32.0 -19.9 14.3 274 310 A P G > S+ 0 0 106 0, 0.0 3,-1.5 0, 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2,-0.3 -174,-0.1 -170,-0.1 -0.451 4.4-157.1 -80.6 153.6 25.4 -42.6 24.5 295 331 A N >> - 0 0 69 -2,-0.1 4,-1.4 -175,-0.1 3,-0.7 -0.855 35.3 -95.3-127.0 166.4 22.8 -43.4 27.1 296 332 A Y H 3> S+ 0 0 68 -179,-0.3 4,-2.8 -2,-0.3 5,-0.3 0.869 122.9 52.5 -44.8 -47.1 19.9 -41.6 28.8 297 333 A D H 3>>S+ 0 0 78 1,-0.2 4,-2.3 2,-0.2 5,-0.5 0.892 102.9 57.9 -60.2 -43.1 22.1 -40.6 31.7 298 334 A N H <>5S+ 0 0 17 -3,-0.7 4,-0.5 1,-0.2 -1,-0.2 0.893 118.7 28.9 -55.5 -45.3 24.8 -39.2 29.6 299 335 A V H X5S+ 0 0 0 -4,-1.4 4,-0.5 -3,-0.2 -2,-0.2 0.900 123.3 46.7 -84.0 -44.0 22.6 -36.6 27.9 300 336 A M H <5S+ 0 0 30 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.2 0.844 132.4 12.6 -71.9 -35.8 20.0 -36.0 30.6 301 337 A D H <5S+ 0 0 120 -4,-2.3 -1,-0.2 -5,-0.3 -3,-0.2 0.357 128.2 48.8-126.5 0.9 22.3 -35.6 33.6 302 338 A E H < S+ 0 0 83 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.928 74.5 45.8 -69.5 -48.7 24.7 -29.3 31.3 305 341 A F H > S+ 0 0 20 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.887 108.8 57.5 -63.6 -39.7 26.8 -26.9 29.1 306 342 A A H > 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