==== 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 STRUCTURAL GENOMICS, UNKNOWN FUNCTION 16-FEB-05 1YW1 . COMPND 2 MOLECULE: PROTEIN YTNJ; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR S.K.BURLEY,NEW YORK SGX RESEARCH CENTER FOR STRUCTURAL GENOM . 393 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18760.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 253 64.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 20 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 123 31.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.5 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 0 0 1 2 1 0 1 2 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 1 4 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 PARALLEL BRIDGES PER LADDER . 3 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 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 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 3 A R 0 0 98 0, 0.0 341,-0.0 0, 0.0 340,-0.0 0.000 360.0 360.0 360.0 113.3 18.6 57.6 16.0 2 4 A A + 0 0 112 2,-0.0 0, 0.0 0, 0.0 0, 0.0 0.950 360.0 65.0 -47.5 -55.7 19.5 57.9 12.4 3 5 A D S S- 0 0 55 1,-0.1 2,-0.1 387,-0.0 387,-0.0 -0.157 83.2-118.2 -73.9 159.7 16.6 60.3 11.7 4 6 A F - 0 0 70 1,-0.1 2,-0.3 344,-0.0 372,-0.2 -0.456 31.9-101.6 -85.6 165.5 15.9 63.8 13.0 5 7 A I - 0 0 2 370,-3.0 372,-0.3 -2,-0.1 2,-0.3 -0.629 38.1-153.4 -84.4 149.5 12.9 64.8 15.2 6 8 A Q E -a 348 0A 18 341,-1.1 343,-2.3 -2,-0.3 2,-0.3 -0.925 7.8-156.5-127.0 155.4 10.0 66.6 13.6 7 9 A F E -a 349 0A 0 -2,-0.3 43,-2.6 341,-0.2 44,-0.8 -0.956 5.7-170.4-127.8 142.9 7.3 69.0 14.6 8 10 A G E -ab 350 51A 0 341,-2.1 343,-3.1 -2,-0.3 2,-0.6 -0.957 22.2-134.8-121.5 146.8 3.9 70.0 13.3 9 11 A A E -ab 351 52A 2 42,-2.3 44,-3.0 -2,-0.4 2,-0.4 -0.906 9.5-150.0-104.9 114.5 2.0 73.0 14.7 10 12 A X E - b 0 53A 46 341,-1.8 2,-0.6 -2,-0.6 343,-0.4 -0.703 8.7-157.9 -73.4 129.3 -1.6 72.6 15.5 11 13 A I + 0 0 1 42,-2.4 44,-0.3 -2,-0.4 341,-0.1 -0.967 22.5 164.2-110.0 115.1 -3.4 75.9 15.0 12 14 A H > - 0 0 24 -2,-0.6 3,-1.7 1,-0.3 19,-0.1 0.032 33.5-141.8-123.0 23.7 -6.6 75.8 17.1 13 15 A G T 3 S+ 0 0 6 1,-0.3 -1,-0.3 17,-0.2 3,-0.1 -0.282 84.6 9.9 58.5-120.6 -7.6 79.5 17.1 14 16 A V T 3 S- 0 0 12 1,-0.2 3,-0.3 14,-0.1 -1,-0.3 0.299 118.6-108.1 -79.7 11.6 -9.0 80.5 20.5 15 17 A G < - 0 0 1 -3,-1.7 52,-0.4 1,-0.2 -1,-0.2 -0.072 24.5 -74.2 96.0 174.9 -7.9 77.1 22.0 16 18 A G S S+ 0 0 39 -3,-0.1 2,-0.3 51,-0.1 -1,-0.2 0.147 94.4 87.8-100.6 18.2 -9.2 73.8 23.2 17 19 A T S S- 0 0 33 -3,-0.3 4,-0.3 1,-0.1 50,-0.3 -0.841 75.7-124.0-131.2 151.9 -10.6 75.0 26.5 18 20 A T S S+ 0 0 74 -2,-0.3 -1,-0.1 1,-0.2 -3,-0.0 0.776 106.4 12.6 -67.7 -28.8 -13.8 76.4 27.9 19 21 A D S > S+ 0 0 24 2,-0.1 3,-1.9 268,-0.1 4,-0.3 0.359 87.4 106.8-136.6 8.4 -12.4 79.6 29.4 20 22 A G G > S+ 0 0 4 1,-0.3 3,-1.0 2,-0.2 6,-0.2 0.719 74.5 71.4 -62.1 -20.6 -8.8 80.1 28.1 21 23 A W G 3 S+ 0 0 101 -4,-0.3 -1,-0.3 1,-0.2 5,-0.1 0.683 82.3 71.2 -69.6 -14.8 -10.2 82.9 25.9 22 24 A R G < S+ 0 0 125 -3,-1.9 -1,-0.2 265,-0.1 -2,-0.2 0.724 71.0 109.1 -82.1 -20.7 -10.8 85.1 29.0 23 25 A H S X S- 0 0 8 -3,-1.0 3,-1.3 -4,-0.3 264,-0.0 -0.252 78.3-123.7 -48.4 139.5 -7.1 85.7 29.5 24 26 A P T 3 S+ 0 0 118 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.764 109.8 56.7 -58.3 -32.3 -6.0 89.2 28.6 25 27 A D T 3 S+ 0 0 98 331,-0.1 2,-0.5 2,-0.1 332,-0.1 0.661 91.1 90.3 -74.2 -15.4 -3.5 88.0 26.1 26 28 A V < - 0 0 22 -3,-1.3 -12,-0.1 -6,-0.2 329,-0.0 -0.713 68.7-141.5 -93.6 124.7 -6.0 86.0 24.1 27 29 A D > - 0 0 67 -2,-0.5 3,-2.3 1,-0.1 4,-0.2 -0.730 12.1-154.4 -72.1 111.0 -8.0 87.4 21.1 28 30 A P T 3 S+ 0 0 81 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.629 93.3 56.8 -72.7 -7.6 -11.4 85.9 21.6 29 31 A S T > S+ 0 0 51 1,-0.1 3,-1.8 2,-0.1 4,-0.1 0.314 71.6 110.7 -95.4 7.9 -11.9 86.3 17.8 30 32 A A G X + 0 0 2 -3,-2.3 3,-1.4 1,-0.3 7,-0.2 0.755 64.6 69.5 -52.0 -28.6 -8.8 84.2 16.9 31 33 A S G 3 S+ 0 0 5 1,-0.3 41,-1.3 -3,-0.3 -1,-0.3 0.723 112.0 27.7 -70.4 -23.2 -10.9 81.4 15.5 32 34 A T G < S+ 0 0 61 -3,-1.8 2,-0.7 39,-0.2 -1,-0.3 -0.031 96.8 112.1-122.4 28.3 -12.1 83.4 12.5 33 35 A N X> - 0 0 38 -3,-1.4 4,-1.6 1,-0.2 3,-1.0 -0.835 48.7-165.0-115.5 103.8 -9.1 85.7 12.3 34 36 A I H 3> S+ 0 0 64 -2,-0.7 4,-2.2 1,-0.3 -1,-0.2 0.818 88.9 57.8 -62.0 -30.7 -7.0 85.2 9.2 35 37 A E H 3> S+ 0 0 98 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.889 103.3 52.3 -64.5 -43.1 -4.2 87.2 10.7 36 38 A F H <> S+ 0 0 49 -3,-1.0 4,-2.4 1,-0.2 5,-0.2 0.947 111.0 47.2 -58.3 -50.9 -3.9 85.0 13.7 37 39 A Y H X S+ 0 0 4 -4,-1.6 4,-2.1 -7,-0.2 -1,-0.2 0.864 112.2 50.5 -61.9 -36.5 -3.6 81.9 11.5 38 40 A X H X S+ 0 0 46 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.922 109.2 48.6 -71.7 -39.1 -1.0 83.5 9.3 39 41 A K H X S+ 0 0 137 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.936 113.0 48.8 -67.0 -45.6 1.3 84.7 12.0 40 42 A K H X S+ 0 0 30 -4,-2.4 4,-3.1 2,-0.2 5,-0.3 0.948 110.9 49.3 -55.1 -54.0 1.2 81.2 13.7 41 43 A A H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.906 112.0 49.1 -57.2 -41.6 1.9 79.4 10.4 42 44 A Q H X S+ 0 0 86 -4,-2.4 4,-1.7 -5,-0.2 -1,-0.2 0.870 109.6 51.5 -68.8 -32.2 4.8 81.7 9.7 43 45 A T H X S+ 0 0 30 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.937 111.4 47.3 -63.6 -48.2 6.2 81.2 13.2 44 46 A A H <>S+ 0 0 0 -4,-3.1 5,-3.2 1,-0.2 -2,-0.2 0.873 112.0 50.3 -61.1 -37.7 6.0 77.4 12.7 45 47 A E H ><5S+ 0 0 30 -4,-2.1 3,-1.0 -5,-0.3 -1,-0.2 0.816 107.0 54.6 -68.6 -32.8 7.7 77.8 9.3 46 48 A K H 3<5S+ 0 0 140 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.836 107.9 49.4 -66.6 -32.8 10.4 79.9 10.9 47 49 A G T 3<5S- 0 0 2 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.276 119.9-116.2 -89.9 11.1 10.9 77.0 13.4 48 50 A L T < 5 + 0 0 29 -3,-1.0 -3,-0.2 1,-0.2 -41,-0.2 0.750 47.5 179.5 60.3 30.6 11.1 74.7 10.3 49 51 A F < - 0 0 0 -5,-3.2 40,-0.2 -6,-0.1 -41,-0.2 -0.273 32.2-133.4 -60.6 146.0 8.0 72.8 11.3 50 52 A S S S- 0 0 5 -43,-2.6 39,-2.8 1,-0.2 2,-0.3 0.829 77.7 -11.2 -73.9 -30.3 7.2 70.1 8.8 51 53 A F E -bc 8 89A 0 -44,-0.8 -42,-2.3 37,-0.3 2,-0.4 -0.993 55.7-121.7-158.7 156.0 3.5 71.1 8.8 52 54 A I E -bc 9 90A 0 37,-2.5 39,-2.9 -2,-0.3 2,-0.4 -0.861 32.8-148.7 -97.0 153.0 0.7 73.0 10.2 53 55 A F E -bc 10 91A 13 -44,-3.0 -42,-2.4 -2,-0.4 2,-0.5 -0.966 11.8-166.8-126.6 127.1 -2.3 71.0 11.4 54 56 A I E - c 0 92A 8 37,-2.1 39,-1.7 -2,-0.4 68,-0.2 -0.953 9.7-160.3-112.5 118.6 -6.0 71.9 11.5 55 57 A A - 0 0 21 -2,-0.5 2,-0.3 -44,-0.3 38,-0.0 -0.366 16.6-172.4 -83.4 171.5 -8.3 69.7 13.5 56 58 A D - 0 0 42 -2,-0.1 2,-0.3 36,-0.1 17,-0.1 -0.993 19.4-171.4-164.3 157.3 -12.1 69.8 12.8 57 59 A G - 0 0 21 -2,-0.3 3,-0.0 11,-0.1 36,-0.0 -0.970 17.1-147.2-152.7 160.8 -15.6 68.7 13.8 58 60 A L S S+ 0 0 54 -2,-0.3 2,-0.3 1,-0.1 76,-0.1 0.020 71.3 61.8-123.4 24.3 -19.0 68.9 12.3 59 61 A F + 0 0 67 74,-0.0 2,-0.3 2,-0.0 72,-0.1 -0.950 51.7 172.9-153.9 135.4 -21.4 69.2 15.2 60 62 A I - 0 0 79 -2,-0.3 2,-0.3 70,-0.1 9,-0.0 -0.893 13.0-171.0-133.3 164.3 -22.1 71.6 18.0 61 63 A S > - 0 0 50 -2,-0.3 3,-2.1 4,-0.1 -2,-0.0 -0.869 50.0 -93.6-136.7 179.3 -24.4 72.6 20.9 62 64 A E T 3 S+ 0 0 163 1,-0.3 7,-0.1 -2,-0.3 -2,-0.0 0.690 124.7 58.6 -78.6 -10.2 -24.4 75.6 23.0 63 65 A K T 3 S+ 0 0 187 2,-0.0 -1,-0.3 3,-0.0 2,-0.1 0.142 82.0 114.6 -94.8 17.2 -22.2 73.9 25.6 64 66 A S S < S- 0 0 29 -3,-2.1 5,-0.1 1,-0.1 -4,-0.1 -0.508 81.1 -87.8 -81.4 160.0 -19.5 73.3 23.0 65 67 A I >> - 0 0 28 -2,-0.1 3,-1.7 1,-0.1 4,-1.0 -0.358 40.1-109.3 -70.1 148.9 -16.2 75.0 23.5 66 68 A P H >> S+ 0 0 37 0, 0.0 4,-0.9 0, 0.0 3,-0.5 0.802 115.2 58.2 -52.3 -35.7 -15.9 78.5 22.1 67 69 A H H >4 S+ 0 0 4 -52,-0.4 3,-0.6 -50,-0.3 -51,-0.1 0.892 105.2 50.1 -57.4 -38.9 -13.5 77.5 19.3 68 70 A F H <4 S+ 0 0 74 -3,-1.7 3,-0.3 1,-0.3 -1,-0.2 0.714 100.5 64.9 -80.8 -18.8 -15.9 75.0 17.9 69 71 A L H << S+ 0 0 81 -4,-1.0 2,-0.3 -3,-0.5 -1,-0.3 0.821 118.8 12.2 -69.0 -31.6 -18.8 77.4 17.8 70 72 A N S << S+ 0 0 104 -4,-0.9 2,-0.3 -3,-0.6 -1,-0.3 -0.765 86.0 123.4-157.6 97.6 -17.2 79.6 15.3 71 73 A R - 0 0 47 -2,-0.3 -39,-0.2 -3,-0.3 -40,-0.1 -0.955 56.1 -79.3-151.4 169.0 -14.2 78.8 13.2 72 74 A F - 0 0 47 -41,-1.3 -39,-0.0 -2,-0.3 -2,-0.0 -0.335 43.1-116.5 -62.5 150.2 -12.7 78.3 9.7 73 75 A E > - 0 0 74 1,-0.1 4,-1.6 -17,-0.1 5,-0.2 -0.564 32.6-117.8 -79.2 152.4 -13.3 75.2 7.7 74 76 A P H > S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.915 103.6 45.5 -66.6 -46.6 -10.0 73.3 7.1 75 77 A I H > S+ 0 0 13 2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.851 112.5 52.2 -73.1 -30.6 -9.5 73.3 3.3 76 78 A T H > S+ 0 0 81 2,-0.2 4,-1.9 1,-0.2 3,-0.3 0.992 113.3 42.2 -61.3 -59.6 -10.4 77.0 2.9 77 79 A I H X S+ 0 0 3 -4,-1.6 4,-2.5 1,-0.2 -2,-0.2 0.849 114.1 51.5 -62.4 -34.7 -7.9 78.2 5.6 78 80 A L H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.897 109.8 49.9 -66.2 -37.4 -5.1 75.8 4.4 79 81 A S H X S+ 0 0 32 -4,-1.7 4,-0.7 -3,-0.3 -2,-0.2 0.851 111.7 48.6 -69.2 -35.0 -5.5 77.0 0.9 80 82 A A H >< S+ 0 0 44 -4,-1.9 3,-1.0 1,-0.2 4,-0.2 0.934 112.4 48.0 -68.3 -45.6 -5.3 80.6 2.1 81 83 A L H >< S+ 0 0 0 -4,-2.5 3,-1.7 1,-0.3 -2,-0.2 0.805 98.5 71.1 -68.1 -30.2 -2.3 79.8 4.2 82 84 A A H >< S+ 0 0 6 -4,-2.1 3,-0.9 1,-0.3 -1,-0.3 0.848 95.2 52.8 -49.1 -40.8 -0.7 78.1 1.2 83 85 A S T << S+ 0 0 96 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.515 112.9 42.4 -80.0 -5.8 -0.2 81.5 -0.5 84 86 A V T < S+ 0 0 55 -3,-1.7 2,-0.3 -4,-0.2 -1,-0.2 0.108 107.2 65.3-127.6 17.3 1.6 83.1 2.4 85 87 A T < - 0 0 15 -3,-0.9 -43,-0.1 -4,-0.2 -44,-0.0 -0.938 59.8-159.0-138.5 157.4 3.9 80.2 3.4 86 88 A K S S- 0 0 144 -2,-0.3 -1,-0.1 -44,-0.1 -44,-0.0 0.836 76.0 -0.0-112.1 -50.9 6.8 78.6 1.5 87 89 A N S S+ 0 0 29 2,-0.1 2,-0.2 -38,-0.1 301,-0.1 0.587 88.6 114.0-121.4 -11.1 7.7 75.1 2.7 88 90 A I - 0 0 0 1,-0.1 -37,-0.3 -47,-0.1 -38,-0.2 -0.441 66.0-116.0 -74.4 131.8 5.5 74.0 5.6 89 91 A G E -c 51 0A 0 -39,-2.8 -37,-2.5 -2,-0.2 2,-0.4 -0.156 18.7-141.4 -59.7 162.7 3.0 71.1 5.0 90 92 A L E -cd 52 119A 0 28,-3.3 30,-1.9 -39,-0.2 2,-0.4 -0.866 23.2-179.3-135.3 90.5 -0.7 71.8 5.2 91 93 A V E -cd 53 120A 0 -39,-2.9 -37,-2.1 -2,-0.4 2,-0.4 -0.800 2.5-176.0-108.4 137.2 -2.5 69.0 6.9 92 94 A G E -cd 54 121A 0 28,-1.9 30,-2.6 -2,-0.4 2,-0.4 -0.970 25.9-119.7-138.7 147.3 -6.3 69.1 7.4 93 95 A T E + d 0 122A 6 -39,-1.7 2,-0.3 -2,-0.4 30,-0.2 -0.683 34.8 169.6 -88.0 128.6 -8.9 66.9 9.0 94 96 A F E - d 0 123A 15 28,-1.8 30,-1.5 -2,-0.4 2,-0.2 -0.993 27.9-127.1-138.0 131.3 -11.6 65.6 6.8 95 97 A S E > - d 0 124A 11 -2,-0.3 4,-0.6 28,-0.2 3,-0.3 -0.517 4.1-154.9 -77.6 142.5 -14.2 62.9 7.7 96 98 A T T 4 S+ 0 0 2 28,-2.0 29,-0.1 -2,-0.2 -1,-0.1 0.572 88.3 72.0 -84.7 -8.3 -14.8 59.8 5.6 97 99 A S T 4 S+ 0 0 16 27,-0.5 -1,-0.2 28,-0.1 28,-0.1 0.729 108.2 19.6 -83.6 -22.6 -18.3 59.6 6.9 98 100 A F T 4 S+ 0 0 30 -3,-0.3 -2,-0.1 2,-0.0 -1,-0.1 0.852 100.4 74.0-117.7 -51.2 -19.9 62.5 5.1 99 101 A T S < S- 0 0 49 -4,-0.6 -5,-0.0 1,-0.1 -1,-0.0 -0.327 77.1-112.4 -66.2 149.5 -18.2 63.7 2.0 100 102 A E > - 0 0 105 1,-0.1 4,-1.7 -2,-0.0 3,-0.4 -0.591 28.4-126.1 -68.3 131.1 -18.1 62.0 -1.3 101 103 A P H > S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.726 107.7 58.4 -58.5 -20.7 -14.5 60.9 -2.0 102 104 A F H > S+ 0 0 67 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.946 104.5 50.2 -71.6 -47.2 -14.5 62.7 -5.4 103 105 A T H > S+ 0 0 60 -3,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.914 119.3 37.8 -53.9 -43.6 -15.2 66.0 -3.7 104 106 A I H X S+ 0 0 1 -4,-1.7 4,-2.7 2,-0.2 5,-0.3 0.895 110.6 56.3 -83.9 -42.2 -12.4 65.4 -1.3 105 107 A S H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 5,-0.2 0.927 113.6 45.8 -49.0 -48.0 -9.9 63.8 -3.6 106 108 A R H X S+ 0 0 120 -4,-2.7 4,-3.1 -5,-0.2 5,-0.2 0.950 110.9 48.7 -60.4 -53.5 -10.3 66.9 -5.7 107 109 A Q H X S+ 0 0 87 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.919 114.9 45.7 -65.0 -38.4 -10.0 69.5 -3.0 108 110 A L H X S+ 0 0 1 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.865 115.2 45.6 -68.1 -39.0 -6.9 67.9 -1.4 109 111 A X H X S+ 0 0 0 -4,-1.9 4,-1.9 -5,-0.3 -2,-0.2 0.907 111.1 53.3 -71.7 -38.8 -5.2 67.4 -4.7 110 112 A S H >X S+ 0 0 54 -4,-3.1 4,-2.6 1,-0.2 3,-0.5 0.956 109.2 49.3 -58.3 -52.7 -6.1 71.0 -5.8 111 113 A L H 3X S+ 0 0 2 -4,-2.5 4,-2.0 -5,-0.2 7,-0.3 0.895 107.7 56.0 -45.3 -45.5 -4.5 72.2 -2.5 112 114 A D H 3<>S+ 0 0 0 -4,-1.8 5,-3.0 1,-0.2 4,-0.4 0.872 109.9 44.3 -60.6 -36.4 -1.4 70.1 -3.4 113 115 A H H X<5S+ 0 0 80 -4,-1.9 3,-1.0 -3,-0.5 -2,-0.2 0.925 111.8 52.4 -75.9 -43.9 -1.0 71.8 -6.7 114 116 A I H 3<5S+ 0 0 94 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.845 117.8 38.6 -57.3 -35.6 -1.6 75.3 -5.2 115 117 A S T 3<5S- 0 0 11 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.395 110.6-116.8 -99.9 -2.9 1.1 74.7 -2.6 116 118 A G T < 5S- 0 0 31 -3,-1.0 -3,-0.2 -4,-0.4 -4,-0.1 0.916 84.7 -29.6 60.5 44.7 3.5 72.8 -4.8 117 119 A G S > - 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0 0 49 0, 0.0 4,-1.7 0, 0.0 3,-0.8 -0.483 24.4-140.8 -59.4 124.0 -15.2 79.5 37.5 293 295 A I H 3> S+ 0 0 51 -2,-0.3 4,-3.3 1,-0.3 5,-0.3 0.779 97.4 69.5 -69.5 -25.7 -14.6 77.1 40.3 294 296 A E H 3> S+ 0 0 172 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.944 106.7 40.2 -49.8 -55.7 -18.3 76.5 40.7 295 297 A N H <> S+ 0 0 85 -3,-0.8 4,-1.7 1,-0.2 3,-0.5 0.953 114.8 54.6 -46.4 -59.3 -18.1 74.7 37.3 296 298 A A H X S+ 0 0 6 -4,-1.7 4,-0.9 1,-0.3 -2,-0.2 0.768 103.8 51.3 -60.1 -41.0 -14.9 73.1 38.1 297 299 A V H X S+ 0 0 59 -4,-3.3 4,-2.6 2,-0.2 -1,-0.3 0.897 108.6 52.9 -58.7 -46.3 -15.9 71.4 41.4 298 300 A T H < S+ 0 0 90 -4,-1.2 -2,-0.2 -3,-0.5 -1,-0.2 0.963 106.4 48.4 -60.2 -60.8 -18.9 69.8 39.8 299 301 A Y H < S+ 0 0 198 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.733 111.4 55.5 -54.5 -23.8 -17.2 68.1 36.8 300 302 A L H < S+ 0 0 36 -4,-0.9 2,-2.7 -5,-0.3 -2,-0.2 0.988 85.1 79.7 -65.7 -62.1 -14.8 66.9 39.4 301 303 A A < 0 0 82 -4,-2.6 -1,-0.2 1,-0.1 -3,-0.1 -0.100 360.0 360.0 -48.5 69.1 -17.6 65.3 41.5 302 304 A R 0 0 248 -2,-2.7 -1,-0.1 -3,-0.1 0, 0.0 0.141 360.0 360.0 4.1 360.0 -17.4 62.5 39.0 303 ! 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 0.0 304 341 A E 0 0 161 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 148.4 -5.8 59.0 41.7 305 342 A A + 0 0 99 1,-0.1 0, 0.0 2,-0.0 0, 0.0 -0.919 360.0 147.7-125.1 106.2 -3.8 60.0 44.7 306 343 A K + 0 0 117 -2,-0.4 2,-1.6 4,-0.1 4,-0.4 -0.083 2.5 152.8-140.6 34.4 -2.4 63.6 44.6 307 344 A A + 0 0 113 1,-0.2 4,-0.0 2,-0.1 -2,-0.0 -0.614 22.1 144.0 -56.0 88.9 -2.3 64.9 48.2 308 345 A R S S- 0 0 120 -2,-1.6 -1,-0.2 3,-0.0 3,-0.1 -0.334 90.5 -74.4-130.1 40.8 0.6 67.2 47.1 309 346 A N S S+ 0 0 164 1,-0.2 2,-0.4 0, 0.0 -2,-0.1 0.794 89.7 157.4 60.2 33.3 -0.5 70.0 49.4 310 347 A L - 0 0 42 -4,-0.4 -1,-0.2 4,-0.0 2,-0.1 -0.748 35.8-142.0 -89.3 130.1 -3.3 70.6 46.9 311 348 A T > - 0 0 78 -2,-0.4 4,-2.0 -3,-0.1 3,-0.2 -0.469 31.9-106.2 -77.6 160.9 -6.5 72.4 48.0 312 349 A L H > S+ 0 0 120 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.886 122.5 56.9 -51.8 -39.9 -9.9 71.2 46.6 313 350 A R H > S+ 0 0 136 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.896 106.1 46.9 -57.1 -49.7 -9.9 74.4 44.4 314 351 A E H > S+ 0 0 58 -3,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.832 112.9 50.1 -67.4 -32.7 -6.5 73.6 42.9 315 352 A V H X S+ 0 0 31 -4,-2.0 4,-0.8 2,-0.2 -2,-0.2 0.860 111.0 48.3 -73.1 -36.9 -7.7 70.0 42.2 316 353 A A H X S+ 0 0 0 -4,-2.6 4,-1.7 -5,-0.2 3,-0.5 0.913 114.5 48.1 -63.5 -44.4 -10.9 71.2 40.6 317 354 A Q H X S+ 0 0 7 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.906 106.9 54.1 -62.0 -44.8 -8.7 73.6 38.6 318 355 A E H < S+ 0 0 31 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.652 107.6 52.5 -70.9 -14.9 -6.2 71.0 37.5 319 356 A X H < S+ 0 0 76 -4,-0.8 -1,-0.2 -3,-0.5 -2,-0.2 0.901 107.8 49.9 -77.6 -51.7 -9.0 68.9 36.2 320 357 A A H < S+ 0 0 47 -4,-1.7 -2,-0.2 1,-0.3 -302,-0.2 0.872 135.3 9.6 -46.2 -45.9 -10.3 71.8 34.1 321 358 A F S < S- 0 0 47 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 -0.628 82.5-153.5-150.3 79.1 -6.9 72.3 32.7 322 359 A P - 0 0 86 0, 0.0 2,-0.4 0, 0.0 -3,-0.1 -0.144 24.0-110.7 -61.2 152.8 -4.3 69.7 33.5 323 360 A R - 0 0 67 -5,-0.1 4,-0.1 1,-0.1 2,-0.0 -0.711 28.7-124.7 -91.0 130.4 -0.6 70.6 33.6 324 361 A T - 0 0 29 -2,-0.4 3,-0.4 -54,-0.2 -1,-0.1 -0.327 9.4-132.6 -67.9 152.0 1.7 69.3 30.8 325 362 A L S S+ 0 0 84 1,-0.2 2,-1.3 8,-0.0 -1,-0.1 0.800 103.4 73.3 -63.1 -28.6 4.8 67.3 31.7 326 363 A F S S+ 0 0 3 10,-0.0 -54,-1.7 2,-0.0 2,-0.4 -0.215 72.7 127.2 -89.8 44.7 6.4 69.7 29.1 327 364 A I E +m 272 0F 16 -2,-1.3 2,-0.4 -3,-0.4 -54,-0.2 -0.866 47.7 18.0-103.3 137.3 6.3 72.7 31.4 328 365 A G E S+m 273 0F 1 -56,-2.8 -54,-2.4 -2,-0.4 -52,-0.1 -0.882 90.2 25.8 128.1-132.1 9.2 74.9 32.4 329 366 A T > - 0 0 38 -2,-0.4 4,-2.4 -56,-0.2 5,-0.3 -0.237 67.4-116.2 -75.3 154.8 12.6 75.8 31.2 330 367 A P H > S+ 0 0 9 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.926 116.2 46.7 -55.0 -45.7 13.8 75.5 27.5 331 368 A E H > S+ 0 0 113 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.808 111.4 52.2 -67.4 -31.8 16.4 72.8 28.3 332 369 A R H > S+ 0 0 102 -3,-0.2 4,-2.7 2,-0.2 5,-0.2 0.960 114.7 41.4 -63.3 -51.1 13.9 70.9 30.4 333 370 A V H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.931 116.8 48.8 -64.3 -48.0 11.3 70.8 27.6 334 371 A A H X S+ 0 0 2 -4,-3.1 4,-2.5 -5,-0.3 -1,-0.2 0.879 112.1 51.0 -54.1 -43.6 14.0 70.1 25.0 335 372 A S H X S+ 0 0 60 -4,-2.0 4,-1.6 -5,-0.2 -2,-0.2 0.880 109.9 46.0 -69.8 -42.4 15.3 67.4 27.2 336 373 A L H X S+ 0 0 29 -4,-2.7 4,-3.0 2,-0.2 3,-0.4 0.946 113.0 51.6 -58.6 -48.5 12.0 65.6 27.8 337 374 A I H X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.3 -2,-0.2 0.926 111.3 48.2 -57.0 -46.5 11.3 65.9 24.0 338 375 A E H X S+ 0 0 38 -4,-2.5 4,-2.0 2,-0.2 -1,-0.3 0.800 111.9 48.9 -58.2 -35.3 14.7 64.3 23.4 339 376 A T H X S+ 0 0 76 -4,-1.6 4,-2.3 -3,-0.4 -2,-0.2 0.896 108.3 52.1 -78.8 -44.6 14.1 61.5 25.9 340 377 A W H <>S+ 0 0 7 -4,-3.0 5,-2.5 1,-0.2 6,-0.7 0.884 112.6 48.4 -55.3 -40.7 10.7 60.6 24.5 341 378 A F H ><5S+ 0 0 1 -4,-1.7 3,-1.5 -5,-0.3 -2,-0.2 0.924 112.4 45.2 -65.5 -49.5 12.4 60.4 21.1 342 379 A N H 3<5S+ 0 0 80 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.797 110.0 56.3 -72.7 -24.2 15.3 58.3 22.2 343 380 A A T 3<5S- 0 0 21 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.511 115.3-118.6 -74.6 -9.1 12.9 56.1 24.1 344 381 A E T < 5S+ 0 0 106 -3,-1.5 -3,-0.2 2,-0.2 -97,-0.2 0.952 80.6 121.2 59.3 52.0 10.9 55.5 20.8 345 382 A A S S- 0 0 9 1,-0.1 3,-1.6 -3,-0.1 4,-0.4 -0.592 99.6-103.3 -70.1 128.8 -1.5 79.8 25.6 356 393 A P T 3 S+ 0 0 36 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.272 103.1 18.4 -50.9 129.7 -0.2 83.1 24.0 357 394 A G T 3> S+ 0 0 49 -4,-0.2 4,-3.6 -332,-0.1 5,-0.3 0.043 93.1 106.5 95.7 -24.9 3.6 83.1 23.4 358 395 A T H <> S+ 0 0 10 -3,-1.6 4,-3.0 1,-0.2 5,-0.2 0.917 81.4 42.6 -57.9 -47.1 4.0 79.3 23.7 359 396 A L H > S+ 0 0 5 -4,-0.4 4,-2.6 -6,-0.3 -1,-0.2 0.932 117.4 48.1 -67.9 -42.7 4.6 78.6 20.0 360 397 A D H > S+ 0 0 75 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.933 113.7 46.8 -62.0 -46.9 6.8 81.6 19.7 361 398 A A H X>S+ 0 0 18 -4,-3.6 4,-2.5 2,-0.2 5,-0.8 0.857 110.9 52.7 -64.6 -35.4 8.8 80.6 22.8 362 399 A F H X>S+ 0 0 0 -4,-3.0 5,-1.7 -5,-0.3 4,-1.4 0.981 113.0 42.9 -63.4 -53.3 9.1 77.0 21.6 363 400 A V H <5S+ 0 0 11 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.895 120.5 41.9 -57.7 -43.4 10.5 78.1 18.2 364 401 A E H <5S+ 0 0 109 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.903 130.2 19.1 -75.0 -44.5 12.8 80.7 19.7 365 402 A K H X5S+ 0 0 75 -4,-2.5 4,-0.6 -5,-0.2 -3,-0.2 0.854 127.1 40.3-101.7 -41.4 14.2 78.9 22.7 366 403 A V H X S+ 0 0 55 0, 0.0 4,-3.4 0, 0.0 -1,-0.2 0.842 106.5 53.1 -50.1 -37.7 17.9 76.0 18.8 369 406 A I H X S+ 0 0 28 -4,-0.6 4,-1.3 -3,-0.2 6,-0.2 0.958 110.8 44.9 -62.6 -50.9 18.8 73.6 21.5 370 407 A L H <>S+ 0 0 1 -4,-1.8 5,-3.4 2,-0.2 6,-0.9 0.895 115.0 48.9 -60.2 -39.6 17.6 70.6 19.5 371 408 A Q H ><5S+ 0 0 43 -4,-2.9 3,-2.3 4,-0.2 -2,-0.2 0.985 110.7 51.5 -59.8 -54.8 19.4 72.0 16.5 372 409 A E H 3<5S+ 0 0 160 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.651 108.3 50.4 -59.1 -19.9 22.5 72.5 18.5 373 410 A R T 3<5S- 0 0 132 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.106 119.8-107.1-103.3 20.5 22.5 68.9 19.9 374 411 A G T < 5S+ 0 0 52 -3,-2.3 -3,-0.2 2,-0.2 -2,-0.1 0.684 91.5 111.4 67.5 21.6 22.1 67.5 16.3 375 412 A L S S- 0 0 7 1,-0.1 4,-1.9 -178,-0.1 -266,-0.2 -0.745 76.8-127.3-105.1 161.4 7.3 69.0 -0.4 385 422 A L H > S+ 0 0 0 -268,-2.7 4,-2.5 -2,-0.3 6,-0.3 0.845 112.1 53.3 -69.9 -33.8 5.7 67.5 2.7 386 423 A R H >>S+ 0 0 6 -269,-0.4 4,-1.4 2,-0.2 5,-1.4 0.908 107.9 48.4 -66.8 -46.2 7.1 64.1 1.7 387 424 A E H >45S+ 0 0 81 2,-0.2 3,-0.7 1,-0.2 -2,-0.2 0.972 115.9 44.6 -54.9 -53.5 10.7 65.4 1.4 388 425 A N H 3<5S+ 0 0 5 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.899 114.7 47.6 -66.2 -40.1 10.4 67.1 4.8 389 426 A L H 3<5S- 0 0 3 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.754 113.8-115.9 -69.1 -19.6 8.8 64.2 6.4 390 427 A G T <<5 + 0 0 52 -4,-1.4 -3,-0.2 -3,-0.7 2,-0.1 0.399 68.9 138.1 94.4 -1.0 11.4 61.8 5.0 391 428 A L < - 0 0 22 -5,-1.4 -1,-0.3 -6,-0.3 2,-0.3 -0.443 50.1-123.4 -84.1 152.0 8.8 59.9 2.9 392 429 A G - 0 0 58 -2,-0.1 -1,-0.1 1,-0.1 -185,-0.0 -0.645 29.1-106.9 -89.7 150.0 9.1 58.6 -0.7 393 430 A I 0 0 106 -2,-0.3 -185,-0.1 1,-0.1 -1,-0.1 -0.575 360.0 360.0 -69.5 130.5 6.8 59.6 -3.5 394 431 A P 0 0 94 0, 0.0 -1,-0.1 0, 0.0 -186,-0.1 0.761 360.0 360.0 -90.4 360.0 4.4 56.7 -4.5