==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ALLERGEN 07-JUL-03 1PXZ . COMPND 2 MOLECULE: MAJOR POLLEN ALLERGEN JUN A 1; . SOURCE 2 ORGANISM_SCIENTIFIC: JUNIPERUS ASHEI; . AUTHOR E.W.CZERWINSKI,M.A.WHITE,T.MIDORO-HORIUTI,E.G.BROOKS, . 692 2 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26719.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 497 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 230 33.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 4 0.6 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 . 87 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 71 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 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 4 1 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 RESIDUES PER ALPHA HELIX . 2 12 17 11 10 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 0 0 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 0 ANTIPARALLEL BRIDGES PER LADDER . 3 0 0 0 0 0 1 3 0 2 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 D 0 0 79 0, 0.0 339,-0.2 0, 0.0 340,-0.0 0.000 360.0 360.0 360.0 -88.6 29.1 0.1 69.3 2 2 A N > - 0 0 10 337,-0.1 4,-2.6 0, 0.0 5,-0.2 -0.906 360.0 -80.7-164.6 170.8 26.1 -1.5 67.6 3 3 A P T 4 S+ 0 0 39 0, 0.0 4,-0.4 0, 0.0 326,-0.0 0.674 125.8 45.5 -57.3 -25.3 24.7 -5.0 67.0 4 4 A I T >> S+ 0 0 0 2,-0.1 3,-1.2 1,-0.1 4,-0.8 0.933 117.0 40.4 -81.1 -55.3 27.1 -5.7 64.1 5 5 A D H >> S+ 0 0 1 1,-0.3 4,-2.2 2,-0.2 3,-0.6 0.846 106.7 63.9 -65.4 -30.6 30.3 -4.5 65.6 6 6 A S H 3X S+ 0 0 57 -4,-2.6 4,-1.0 1,-0.2 -1,-0.3 0.856 96.3 61.1 -61.4 -27.7 29.6 -5.9 69.0 7 7 A a H <4 S+ 0 0 48 -3,-1.2 4,-0.2 -4,-0.4 -1,-0.2 0.832 119.6 20.8 -70.6 -36.1 29.7 -9.4 67.5 8 8 A W H << S+ 0 0 2 -4,-0.8 -1,-0.2 -3,-0.6 -2,-0.2 0.481 126.3 48.6-116.9 -3.7 33.3 -9.2 66.3 9 9 A R H < S+ 0 0 70 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.2 0.498 96.0 72.6-108.2 -1.5 34.8 -6.5 68.5 10 10 A G S < S- 0 0 61 -4,-1.0 -3,-0.1 -5,-0.3 -2,-0.1 0.940 119.1 -1.3 -82.4 -50.7 33.5 -7.6 71.9 11 11 A D S S+ 0 0 137 -4,-0.2 2,-0.3 -5,-0.2 -1,-0.2 -0.220 118.1 79.5-136.8 51.3 35.6 -10.7 72.8 12 12 A S - 0 0 22 -4,-0.1 2,-0.6 -3,-0.1 3,-0.1 -0.968 65.1-140.4-150.8 141.3 37.8 -11.0 69.8 13 13 A N >> - 0 0 96 -2,-0.3 3,-1.3 1,-0.1 4,-1.0 -0.965 19.8-154.7 -98.1 108.3 41.0 -9.3 68.4 14 14 A W T 34 S+ 0 0 52 -2,-0.6 3,-0.4 1,-0.3 6,-0.1 0.794 86.9 65.7 -57.3 -31.3 40.2 -9.1 64.7 15 15 A D T 34 S+ 0 0 102 1,-0.3 3,-0.4 2,-0.2 -1,-0.3 0.880 111.4 35.2 -62.2 -33.0 43.9 -9.0 63.7 16 16 A Q T <4 S+ 0 0 150 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.529 131.4 32.4 -98.5 -3.9 44.3 -12.6 65.0 17 17 A N >< + 0 0 79 -4,-1.0 3,-1.6 -3,-0.4 4,-0.4 -0.391 65.4 160.0-143.4 64.7 40.8 -13.7 63.9 18 18 A R G > S+ 0 0 34 -3,-0.4 3,-1.2 1,-0.3 4,-0.3 0.823 70.5 61.0 -60.8 -30.8 39.9 -11.8 60.8 19 19 A M G > S+ 0 0 35 1,-0.3 3,-1.0 2,-0.2 4,-0.3 0.616 79.1 83.8 -82.1 -1.5 37.2 -14.2 59.6 20 20 A K G X S+ 0 0 39 -3,-1.6 3,-2.2 1,-0.2 -1,-0.3 0.871 78.6 72.0 -59.9 -32.3 35.1 -13.8 62.7 21 21 A L G X S+ 0 0 1 -3,-1.2 3,-2.0 -4,-0.4 -1,-0.2 0.866 86.8 62.8 -45.8 -40.6 33.7 -10.7 60.9 22 22 A A G < S+ 0 0 7 -3,-1.0 3,-0.4 1,-0.3 -1,-0.3 0.688 95.1 59.8 -69.9 -13.1 31.8 -13.0 58.5 23 23 A D G < S+ 0 0 100 -3,-2.2 -1,-0.3 -4,-0.3 -2,-0.2 0.420 97.7 64.1 -85.6 2.2 29.7 -14.4 61.4 24 24 A a < + 0 0 5 -3,-2.0 -1,-0.2 -4,-0.2 -17,-0.2 0.349 62.2 124.9-119.7 8.2 28.3 -11.0 62.3 25 25 A A - 0 0 12 -3,-0.4 2,-0.3 5,-0.3 5,-0.0 -0.441 36.0-170.3 -70.4 145.9 26.2 -9.7 59.4 26 26 A V > + 0 0 18 -2,-0.1 3,-0.6 190,-0.0 300,-0.2 -0.788 44.2 33.3-125.6 166.7 22.6 -8.7 60.1 27 27 A G G > S- 0 0 0 298,-2.9 3,-1.8 -2,-0.3 159,-0.1 -0.344 115.9 -29.8 83.1-167.0 19.7 -7.7 57.9 28 28 A F G 3 S+ 0 0 8 157,-0.4 3,-0.4 1,-0.3 158,-0.2 0.704 137.2 53.9 -67.4 -21.4 19.0 -9.1 54.4 29 29 A G G X S+ 0 0 0 -3,-0.6 3,-2.0 156,-0.3 -1,-0.3 0.176 72.4 115.8 -94.5 23.6 22.7 -9.8 53.7 30 30 A S T < + 0 0 20 -3,-1.8 -5,-0.3 1,-0.3 -1,-0.2 0.725 68.3 59.7 -65.7 -19.4 23.2 -11.8 56.8 31 31 A S T 3 S+ 0 0 70 -3,-0.4 -1,-0.3 -4,-0.1 2,-0.1 0.464 74.6 125.6 -83.9 -4.8 23.9 -15.0 54.9 32 32 A T < + 0 0 2 -3,-2.0 -7,-0.2 1,-0.2 129,-0.1 -0.346 32.1 175.7 -58.1 123.8 26.9 -13.4 53.2 33 33 A M > - 0 0 74 127,-0.2 3,-2.0 1,-0.2 -1,-0.2 0.661 11.8-172.3-100.6 -20.9 30.0 -15.6 53.7 34 34 A G T 3 S- 0 0 0 1,-0.2 57,-0.3 126,-0.2 -1,-0.2 -0.389 70.7 -27.1 59.9-140.1 32.5 -13.7 51.7 35 35 A G T > S+ 0 0 0 32,-0.1 3,-2.5 82,-0.1 -1,-0.2 0.122 92.8 150.6 -93.7 23.1 35.7 -15.7 51.5 36 36 A K T < S+ 0 0 85 -3,-2.0 3,-0.1 1,-0.3 31,-0.1 -0.272 70.6 19.0 -54.3 137.8 35.0 -17.4 54.8 37 37 A G T 3 S+ 0 0 73 1,-0.3 -1,-0.3 32,-0.0 -2,-0.1 0.205 107.8 104.7 87.0 -20.9 36.6 -20.9 54.9 38 38 A G S < S- 0 0 17 -3,-2.5 -1,-0.3 1,-0.1 30,-0.2 -0.105 80.6 -84.1 -83.2-173.3 38.9 -19.9 52.0 39 39 A D E -a 68 0A 85 28,-1.3 30,-2.5 -3,-0.1 2,-0.2 -0.627 42.6-104.8 -87.1 156.1 42.6 -19.1 52.2 40 40 A F E -a 69 0A 112 -2,-0.2 2,-0.4 28,-0.2 30,-0.2 -0.601 35.2-160.6 -70.3 140.6 43.9 -15.7 53.1 41 41 A Y E -a 70 0A 29 28,-2.4 30,-3.0 -2,-0.2 2,-0.5 -0.994 4.1-150.3-124.1 126.8 45.3 -13.9 50.0 42 42 A T E -a 71 0A 58 -2,-0.4 2,-0.7 28,-0.2 30,-0.2 -0.859 7.5-141.8-107.9 128.8 47.7 -11.0 50.5 43 43 A V E +a 72 0A 0 28,-2.8 30,-2.7 -2,-0.5 31,-0.4 -0.784 29.8 163.9 -80.5 115.7 48.0 -8.1 48.1 44 44 A T + 0 0 85 12,-1.8 2,-0.3 -2,-0.7 13,-0.2 0.440 57.4 53.8-110.9 -6.2 51.7 -7.3 47.8 45 45 A S - 0 0 31 11,-1.9 13,-0.4 2,-0.1 -1,-0.1 -0.973 59.6-150.8-134.0 146.5 51.6 -5.1 44.7 46 46 A T + 0 0 63 -2,-0.3 33,-0.4 11,-0.1 11,-0.1 0.340 62.7 118.6 -93.0 4.8 49.7 -2.1 43.5 47 47 A D - 0 0 104 31,-0.1 11,-0.5 9,-0.1 12,-0.4 -0.242 46.3-159.5 -73.0 163.2 49.9 -3.1 39.9 48 48 A D + 0 0 8 9,-0.1 -2,-0.0 10,-0.1 -1,-0.0 -0.939 17.2 174.4-145.5 119.6 47.0 -3.9 37.6 49 49 A N > - 0 0 73 -2,-0.3 3,-0.7 1,-0.1 86,-0.1 -0.929 16.6-162.6-119.9 101.7 46.9 -5.9 34.3 50 50 A P T 3 S+ 0 0 17 0, 0.0 85,-3.4 0, 0.0 -1,-0.1 0.764 84.9 36.0 -56.9 -32.5 43.2 -6.1 33.4 51 51 A V T 3 S+ 0 0 61 83,-0.3 83,-0.1 1,-0.2 91,-0.1 0.559 133.6 19.3-101.4 -9.8 43.5 -9.0 30.9 52 52 A N S < S- 0 0 119 -3,-0.7 -1,-0.2 83,-0.1 8,-0.1 -0.414 78.3-165.5-159.7 65.7 46.2 -11.1 32.6 53 53 A P - 0 0 10 0, 0.0 -5,-0.1 0, 0.0 3,-0.1 -0.275 14.7-134.2 -63.9 144.8 46.5 -10.2 36.3 54 54 A T > - 0 0 71 1,-0.1 3,-2.1 -7,-0.0 6,-0.4 -0.750 28.5 -86.2-105.7 150.4 49.6 -11.4 38.1 55 55 A P T 3 S+ 0 0 88 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.137 113.9 34.6 -48.9 134.3 49.9 -13.1 41.5 56 56 A G T 3 S+ 0 0 11 1,-0.4 -11,-1.9 2,-0.1 -12,-1.8 0.201 94.9 106.9 103.5 -18.7 50.2 -10.6 44.3 57 57 A T S <> S- 0 0 0 -3,-2.1 4,-1.7 -14,-0.2 -1,-0.4 -0.535 77.6-117.9 -94.4 165.9 47.9 -8.0 42.7 58 58 A L H > S+ 0 0 2 -11,-0.5 4,-2.8 -13,-0.4 5,-0.2 0.922 112.3 52.5 -66.4 -43.3 44.4 -7.2 43.8 59 59 A R H > S+ 0 0 0 -12,-0.4 4,-1.7 1,-0.2 -1,-0.2 0.911 105.0 55.9 -66.0 -36.5 42.8 -8.2 40.5 60 60 A Y H > S+ 0 0 65 -6,-0.4 4,-0.6 1,-0.2 3,-0.3 0.965 113.5 39.3 -58.4 -50.2 44.4 -11.6 40.6 61 61 A G H >< S+ 0 0 0 -4,-1.7 3,-1.1 1,-0.2 -2,-0.2 0.945 114.3 54.2 -67.9 -36.8 43.0 -12.5 44.0 62 62 A A H 3< S+ 0 0 0 -4,-2.8 25,-2.8 1,-0.2 -1,-0.2 0.767 110.0 47.3 -67.8 -22.7 39.6 -10.9 43.2 63 63 A T H 3< S+ 0 0 0 -4,-1.7 75,-2.9 -3,-0.3 76,-0.4 0.480 82.2 115.7 -99.4 0.4 39.1 -12.9 40.1 64 64 A R << - 0 0 33 -3,-1.1 4,-0.1 -4,-0.6 23,-0.1 -0.330 63.1-138.5 -67.6 150.7 40.0 -16.4 41.4 65 65 A E S S+ 0 0 84 2,-0.1 -1,-0.1 22,-0.1 3,-0.1 0.881 80.5 82.7 -74.2 -35.4 37.2 -19.0 41.4 66 66 A K S S- 0 0 113 1,-0.1 2,-0.2 -28,-0.0 21,-0.1 -0.303 96.8 -90.9 -69.9 160.5 38.2 -20.3 44.8 67 67 A A + 0 0 30 23,-0.1 -28,-1.3 -30,-0.1 2,-0.4 -0.464 53.0 178.1 -66.2 128.5 37.1 -18.7 48.0 68 68 A L E -ab 39 90A 7 21,-1.7 23,-1.7 -30,-0.2 2,-0.7 -0.999 31.2-148.8-139.6 144.6 39.6 -16.1 49.2 69 69 A W E -ab 40 91A 0 -30,-2.5 -28,-2.4 -2,-0.4 2,-0.4 -0.941 30.4-151.5-108.4 102.1 39.9 -13.6 52.1 70 70 A I E +ab 41 92A 0 21,-3.3 23,-3.2 -2,-0.7 2,-0.2 -0.631 22.6 166.3 -88.7 128.5 41.9 -10.7 50.6 71 71 A I E -a 42 0A 26 -30,-3.0 -28,-2.8 -2,-0.4 2,-0.4 -0.784 30.3-115.5-130.1 173.2 44.1 -8.5 52.8 72 72 A F E -a 43 0A 13 21,-0.4 -28,-0.2 23,-0.3 -30,-0.1 -0.950 2.6-150.1-125.1 133.9 46.8 -6.0 52.1 73 73 A S S S- 0 0 64 -30,-2.7 2,-0.3 -2,-0.4 -29,-0.1 0.633 80.4 -5.0 -75.2 -15.0 50.5 -6.1 53.0 74 74 A Q S S- 0 0 110 -31,-0.4 23,-0.1 23,-0.0 -1,-0.1 -0.986 95.3 -61.0-162.8 168.4 50.9 -2.4 53.3 75 75 A N - 0 0 91 -2,-0.3 2,-0.3 22,-0.1 24,-0.2 -0.384 62.6-174.3 -56.3 141.6 49.1 1.0 52.9 76 76 A M E -k 99 0B 5 22,-1.9 24,-2.5 2,-0.0 2,-0.6 -0.971 32.5-161.0-148.0 126.9 48.2 1.2 49.2 77 77 A N E -k 100 0B 110 -2,-0.3 2,-0.5 22,-0.2 24,-0.2 -0.958 29.1-166.0 -96.9 115.0 46.7 3.7 46.8 78 78 A I E -k 101 0B 2 22,-3.2 24,-0.8 -2,-0.6 2,-0.6 -0.899 14.7-167.4-110.2 128.8 45.6 1.6 43.9 79 79 A K - 0 0 130 -2,-0.5 2,-0.1 -33,-0.4 24,-0.1 -0.928 17.6-149.1-111.2 109.3 44.6 3.0 40.5 80 80 A L - 0 0 4 -2,-0.6 4,-0.0 26,-0.5 -32,-0.0 -0.431 10.1-150.4 -78.6 153.6 42.9 0.4 38.4 81 81 A K S S+ 0 0 136 1,-0.2 49,-0.3 24,-0.1 -1,-0.1 0.708 80.9 9.6 -95.0 -20.8 43.1 0.4 34.6 82 82 A M S S- 0 0 19 24,-0.1 -1,-0.2 47,-0.1 49,-0.1 -0.926 103.6 -64.6-145.3 165.9 39.7 -1.1 34.0 83 83 A P - 0 0 0 0, 0.0 2,-0.8 0, 0.0 25,-0.2 -0.245 52.4-129.9 -51.8 136.4 36.6 -2.0 36.0 84 84 A L E -s 108 0C 0 23,-2.5 25,-2.7 -4,-0.0 2,-0.5 -0.874 16.8-156.1 -95.4 111.1 37.5 -4.7 38.6 85 85 A Y E -s 109 0C 12 -2,-0.8 2,-0.6 50,-0.3 25,-0.2 -0.777 9.3-150.5 -84.9 125.0 35.1 -7.5 38.5 86 86 A V - 0 0 2 23,-2.7 25,-0.3 -2,-0.5 -23,-0.2 -0.856 11.1-136.3-100.7 120.4 35.1 -9.3 41.9 87 87 A A - 0 0 5 -25,-2.8 3,-0.2 -2,-0.6 26,-0.1 -0.089 32.1 -86.8 -68.5 170.5 34.2 -13.0 41.8 88 88 A G S S+ 0 0 12 1,-0.2 27,-0.2 24,-0.1 28,-0.2 -0.335 105.8 38.3 -76.0 168.9 31.9 -14.7 44.3 89 89 A H S S+ 0 0 77 25,-1.6 -21,-1.7 26,-0.7 2,-0.4 0.946 89.2 131.1 56.3 52.5 33.0 -16.1 47.6 90 90 A K E -bc 68 116A 0 25,-1.6 27,-2.0 -23,-0.2 2,-0.4 -0.994 42.2-164.8-131.7 144.7 35.4 -13.2 48.2 91 91 A T E -bc 69 117A 0 -23,-1.7 -21,-3.3 -2,-0.4 2,-0.6 -0.988 5.3-162.5-116.9 131.9 36.2 -10.8 51.1 92 92 A I E -bc 70 118A 0 25,-2.6 27,-2.8 -2,-0.4 2,-0.6 -0.982 19.1-172.9-109.3 114.0 38.2 -7.7 50.4 93 93 A D E - c 0 119A 0 -23,-3.2 -21,-0.4 -2,-0.6 27,-0.2 -0.918 19.6-178.5-117.2 106.2 39.3 -6.7 53.9 94 94 A G > + 0 0 0 25,-3.1 3,-1.7 -2,-0.6 5,-0.2 0.318 39.6 128.2 -84.8 6.4 41.1 -3.4 54.5 95 95 A R T 3 S+ 0 0 3 1,-0.2 -23,-0.3 24,-0.2 251,-0.1 -0.504 72.0 25.2 -64.5 134.3 41.6 -3.7 58.2 96 96 A G T 3 S+ 0 0 60 249,-0.4 2,-0.3 1,-0.2 -1,-0.2 0.329 118.2 62.1 96.1 -4.2 45.2 -3.2 59.2 97 97 A A S < S- 0 0 12 -3,-1.7 2,-1.0 23,-0.2 -1,-0.2 -0.987 80.6-116.8-147.1 159.7 46.1 -1.0 56.2 98 98 A D + 0 0 72 -2,-0.3 -22,-1.9 -3,-0.1 2,-0.5 -0.849 42.1 180.0 -95.9 95.8 45.1 2.3 54.6 99 99 A V E -k 76 0B 0 -2,-1.0 23,-2.6 21,-0.4 2,-0.5 -0.904 7.6-176.5-105.8 123.7 43.7 1.1 51.2 100 100 A H E -kl 77 122B 40 -24,-2.5 -22,-3.2 -2,-0.5 2,-0.3 -0.993 1.3-176.6-122.8 118.8 42.4 3.7 48.8 101 101 A L E +kl 78 123B 0 21,-2.5 23,-2.4 -2,-0.5 2,-0.7 -0.786 57.1 38.9-108.8 156.5 40.8 2.6 45.5 102 102 A G E > + l 0 124B 0 -24,-0.8 3,-2.1 4,-0.3 -22,-0.3 -0.920 49.3 159.3 108.6-103.8 39.6 5.0 42.7 103 103 A N T 3 S- 0 0 53 21,-2.5 22,-0.2 -2,-0.7 -1,-0.2 0.846 93.3 -37.9 58.0 37.1 42.1 7.8 42.3 104 104 A G T 3 S+ 0 0 40 21,-1.9 -1,-0.3 1,-0.4 22,-0.1 0.287 124.9 93.8 90.9 -6.2 41.0 8.6 38.8 105 105 A G S < S- 0 0 3 -3,-2.1 22,-1.6 -27,-0.2 -1,-0.4 -0.584 84.4 -84.0-107.6 175.9 40.4 5.0 37.7 106 106 A P - 0 0 10 0, 0.0 -26,-0.5 0, 0.0 -4,-0.3 -0.239 46.4-154.9 -69.9 166.3 37.3 2.8 37.7 107 107 A b - 0 0 1 44,-0.5 -23,-2.5 20,-0.1 2,-0.4 0.077 35.3 -18.4-124.0-132.0 36.4 0.9 40.8 108 108 A L E +st 84 153C 0 44,-2.0 46,-2.3 -25,-0.2 2,-0.4 -0.686 47.6 178.6-103.9 136.0 34.5 -2.2 42.0 109 109 A F E -st 85 154C 7 -25,-2.7 -23,-2.7 -2,-0.4 2,-0.4 -0.971 9.6-173.7-132.7 138.8 32.0 -4.3 40.1 110 110 A M E + t 0 155C 3 44,-2.3 46,-2.7 -2,-0.4 2,-0.4 -0.993 10.4 174.9-132.6 127.9 30.1 -7.4 40.9 111 111 A R E - t 0 156C 62 -2,-0.4 46,-0.2 -25,-0.3 47,-0.1 -0.969 66.5 -15.4-139.2 122.2 27.9 -9.1 38.2 112 112 A K S S+ 0 0 119 44,-2.7 2,-0.3 -2,-0.4 46,-0.2 0.929 103.1 116.2 54.1 48.8 26.0 -12.4 38.6 113 113 A V - 0 0 29 44,-0.3 46,-1.6 43,-0.3 2,-0.3 -0.910 47.2-151.6-137.2 164.9 27.9 -13.5 41.7 114 114 A S E + d 0 159A 38 -2,-0.3 -25,-1.6 44,-0.2 46,-0.2 -0.921 61.8 37.4-133.8 162.9 27.1 -14.2 45.4 115 115 A H E + 0 0 30 45,-1.5 -25,-1.6 44,-1.3 -26,-0.7 0.969 65.7 154.9 62.3 64.4 28.8 -14.0 48.8 116 116 A V E -cd 90 161A 1 44,-1.1 46,-2.4 -27,-0.2 2,-0.5 -0.995 23.0-168.7-124.0 125.6 31.0 -10.9 48.5 117 117 A I E -cd 91 162A 0 -27,-2.0 -25,-2.6 -2,-0.4 2,-0.5 -0.965 1.0-171.8-110.7 124.7 32.1 -8.9 51.6 118 118 A L E +cd 92 163A 1 44,-2.6 46,-2.6 -2,-0.5 2,-0.4 -0.978 20.9 171.9-116.5 117.0 33.7 -5.5 51.0 119 119 A H E -cd 93 164A 0 -27,-2.8 -25,-3.1 -2,-0.5 -24,-0.2 -0.993 46.3 -5.8-140.7 135.2 35.0 -4.1 54.2 120 120 A S S S+ 0 0 2 44,-1.5 -21,-0.4 -2,-0.4 2,-0.3 0.803 82.4 141.6 58.6 44.2 37.1 -1.2 55.6 121 121 A L - 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0 0 33 11,-2.0 13,-0.5 2,-0.1 -1,-0.1 -0.959 61.4-146.9-132.7 147.0 66.5 33.5 59.1 393 46 B T + 0 0 63 -2,-0.3 33,-0.4 11,-0.1 11,-0.1 0.269 63.2 123.8 -89.3 5.7 64.7 36.1 61.3 394 47 B D - 0 0 103 31,-0.1 11,-0.5 9,-0.1 12,-0.4 -0.268 43.9-162.2 -66.8 156.9 65.1 38.7 58.5 395 48 B D + 0 0 8 9,-0.1 -2,-0.0 10,-0.1 -1,-0.0 -0.949 17.1 173.6-140.8 120.0 62.1 40.5 57.0 396 49 B N > - 0 0 66 -2,-0.4 3,-0.6 1,-0.1 86,-0.1 -0.929 16.7-162.6-119.7 101.9 62.0 42.4 53.7 397 50 B P T 3 S+ 0 0 15 0, 0.0 85,-3.4 0, 0.0 -1,-0.1 0.790 84.9 37.0 -59.4 -32.1 58.3 43.4 53.3 398 51 B V T 3 S+ 0 0 62 83,-0.2 83,-0.1 1,-0.2 91,-0.1 0.597 133.2 18.9-102.1 -2.9 58.4 44.2 49.6 399 52 B N S < S- 0 0 113 -3,-0.6 -1,-0.2 83,-0.1 8,-0.1 -0.431 77.6-165.4-157.7 71.3 60.8 41.4 48.4 400 53 B P - 0 0 8 0, 0.0 -5,-0.1 0, 0.0 3,-0.0 -0.364 14.5-134.6 -70.3 146.9 61.1 38.6 50.9 401 54 B T > - 0 0 70 1,-0.1 3,-1.9 -7,-0.0 6,-0.4 -0.748 28.0 -90.6-103.8 148.0 64.0 36.2 50.4 402 55 B P T 3 S+ 0 0 92 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.188 113.7 39.6 -50.1 139.6 63.9 32.4 50.6 403 56 B G T 3 S+ 0 0 11 1,-0.4 -12,-2.7 2,-0.1 -11,-2.0 0.205 95.9 103.7 101.0 -18.7 64.6 31.2 54.2 404 57 B T S <> S- 0 0 1 -3,-1.9 4,-1.6 -14,-0.2 -1,-0.4 -0.579 78.8-119.5 -97.1 159.3 62.5 34.0 55.8 405 58 B L H > S+ 0 0 4 -13,-0.5 4,-2.6 -11,-0.5 5,-0.2 0.932 110.8 53.7 -60.8 -46.4 59.1 33.7 57.3 406 59 B R H > S+ 0 0 0 -12,-0.4 4,-1.5 1,-0.2 -1,-0.2 0.891 104.4 55.6 -63.9 -33.0 57.5 36.2 54.9 407 60 B Y H >> S+ 0 0 66 -6,-0.4 4,-0.7 1,-0.2 3,-0.5 0.979 112.2 40.9 -63.1 -49.2 58.7 34.4 51.8 408 61 B G H >< S+ 0 0 0 -4,-1.6 3,-1.0 1,-0.2 -2,-0.2 0.933 114.2 53.2 -63.5 -41.4 57.1 31.0 52.8 409 62 B A H 3< S+ 0 0 0 -4,-2.6 25,-2.8 1,-0.2 -1,-0.2 0.773 109.2 48.3 -68.3 -21.5 53.9 32.7 54.1 410 63 B T H << S+ 0 0 1 -4,-1.5 75,-2.7 -3,-0.5 76,-0.4 0.550 82.7 117.0 -96.1 -6.7 53.3 34.6 50.8 411 64 B R << - 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0 0 37 -2,-0.4 4,-2.0 1,-0.1 3,-0.3 -0.203 48.5 -87.2 -78.9 178.7 27.6 18.3 61.6 670 323 B S T 4 S+ 0 0 40 1,-0.2 -1,-0.1 2,-0.2 -447,-0.0 0.734 128.4 50.7 -71.9 -14.5 29.3 15.0 62.3 671 324 B N T 4 S+ 0 0 74 1,-0.1 -1,-0.2 -298,-0.0 -297,-0.1 0.805 114.7 42.9 -86.7 -28.9 32.8 16.2 61.2 672 325 B E T 4 S+ 0 0 37 -3,-0.3 -298,-2.5 -299,-0.1 -2,-0.2 0.785 91.3 104.1 -79.6 -30.2 32.6 19.3 63.5 673 326 B A < + 0 0 54 -4,-2.0 2,-0.3 -300,-0.2 -4,-0.0 -0.170 44.1 172.0 -61.9 151.3 31.1 17.7 66.5 674 327 B F - 0 0 30 -301,-0.1 2,-0.2 -6,-0.0 -6,-0.0 -0.984 38.7 -90.5-156.2 151.2 33.3 16.9 69.6 675 328 B K - 0 0 126 -2,-0.3 2,-0.5 1,-0.0 0, 0.0 -0.470 35.7-161.6 -64.8 130.2 32.9 15.6 73.2 676 329 B V - 0 0 8 -2,-0.2 2,-0.1 -326,-0.0 -64,-0.1 -0.982 9.2-153.4-116.6 122.9 32.4 18.4 75.8 677 330 B E - 0 0 81 -2,-0.5 -88,-0.2 1,-0.2 5,-0.0 -0.395 32.1 -79.5 -89.2 168.2 33.0 17.5 79.4 678 331 B N > - 0 0 59 1,-0.1 3,-2.6 -2,-0.1 4,-0.3 -0.298 48.3-107.8 -63.0 151.9 31.6 19.0 82.6 679 332 B G G > S+ 0 0 0 -32,-2.9 3,-1.5 1,-0.3 -30,-0.2 0.756 114.4 72.4 -61.3 -20.6 33.3 22.2 83.6 680 333 B N G 3 S+ 0 0 118 1,-0.3 4,-0.3 -33,-0.2 -1,-0.3 0.762 97.0 53.1 -66.2 -16.4 35.0 20.6 86.5 681 334 B A G <> S+ 0 0 18 -3,-2.6 4,-2.8 1,-0.2 -1,-0.3 0.552 82.2 93.0 -87.8 -11.7 37.2 18.9 83.9 682 335 B A H <> S+ 0 0 0 -3,-1.5 4,-1.2 -4,-0.3 -91,-0.2 0.892 81.3 53.5 -59.6 -43.3 38.2 22.2 82.2 683 336 B P H >4 S+ 0 0 59 0, 0.0 3,-0.6 0, 0.0 -1,-0.2 0.942 113.8 42.7 -56.7 -42.5 41.4 22.8 84.2 684 337 B Q H >4 S+ 0 0 94 -4,-0.3 3,-1.5 1,-0.2 4,-0.3 0.943 111.3 55.1 -69.5 -38.8 42.6 19.3 83.3 685 338 B L H 3< S+ 0 0 11 -4,-2.8 -1,-0.2 1,-0.3 -336,-0.2 0.681 115.5 39.5 -63.5 -18.6 41.5 19.6 79.7 686 339 B T T X< S+ 0 0 6 -4,-1.2 3,-2.2 -3,-0.6 -1,-0.3 0.200 77.1 112.1-114.7 14.0 43.6 22.8 79.3 687 340 B K T < S+ 0 0 146 -3,-1.5 -1,-0.1 1,-0.3 -2,-0.1 0.804 84.2 44.6 -65.8 -22.4 46.7 21.9 81.3 688 341 B N T 3 S+ 0 0 68 -4,-0.3 -1,-0.3 -3,-0.2 -150,-0.1 0.149 81.6 143.4-103.4 22.3 48.8 21.9 78.2 689 342 B A < + 0 0 19 -3,-2.2 -152,-0.2 -152,-0.1 2,-0.1 -0.225 49.2 37.1 -56.0 146.5 47.3 25.2 76.8 690 343 B G S S- 0 0 2 -154,-3.2 -176,-0.2 -177,-0.2 -177,-0.1 -0.509 107.2 -8.6 101.5-179.1 49.9 27.3 75.0 691 344 B V S S- 0 0 22 -2,-0.1 2,-0.5 1,-0.1 -178,-0.1 -0.194 72.9-111.6 -60.8 150.6 52.9 26.4 72.8 692 345 B V 0 0 9 -180,-0.3 -249,-0.5 1,-0.1 -1,-0.1 -0.716 360.0 360.0 -80.0 120.5 53.8 22.7 72.5 693 346 B T 0 0 186 -2,-0.5 -1,-0.1 -251,-0.1 -250,-0.1 0.368 360.0 360.0-125.9 360.0 57.1 22.0 74.2