==== 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 19-AUG-05 2ARH . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN AQ_1966; . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR Y.QIU,Y.KIM,X.YANG,F.COLLART,A.JOACHIMIAK,A.KOSSIAKOFF,MIDWE . 584 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27713.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 441 75.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 123 21.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 . 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 . 47 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 183 31.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.0 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 3 0 1 2 5 0 0 3 1 1 2 0 1 0 0 1 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 3 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 . 5 0 1 2 6 2 2 3 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 . 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 -1 A D > 0 0 166 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 137.1 20.5 45.5 68.8 2 0 A A H > + 0 0 18 1,-0.2 4,-1.8 2,-0.2 5,-0.0 0.715 360.0 53.6 -55.8 -30.2 23.3 46.5 71.0 3 1 A X H > S+ 0 0 103 2,-0.2 4,-2.4 3,-0.2 5,-0.2 0.890 103.9 50.3 -80.6 -43.9 21.5 44.7 73.9 4 2 A V H > S+ 0 0 84 2,-0.2 4,-2.4 1,-0.2 3,-0.4 0.990 115.7 45.6 -51.3 -61.9 20.9 41.3 72.4 5 3 A K H X S+ 0 0 32 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.887 111.3 52.8 -42.8 -56.2 24.6 41.3 71.5 6 4 A Y H X S+ 0 0 33 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.891 111.0 46.5 -46.6 -48.5 25.5 42.5 75.0 7 5 A E H X S+ 0 0 92 -4,-2.4 4,-1.9 -3,-0.4 -2,-0.2 0.834 110.4 52.3 -71.3 -37.7 23.5 39.7 76.6 8 6 A E H X S+ 0 0 81 -4,-2.4 4,-1.8 -5,-0.2 5,-0.2 0.839 108.6 52.7 -61.8 -37.0 25.1 37.1 74.3 9 7 A L H X S+ 0 0 2 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.952 111.5 43.8 -67.3 -49.8 28.6 38.3 75.3 10 8 A L H X S+ 0 0 13 -4,-2.0 4,-2.6 2,-0.2 5,-0.3 0.884 110.5 56.2 -59.3 -46.2 28.0 38.0 79.0 11 9 A K H X S+ 0 0 159 -4,-1.9 4,-2.3 1,-0.2 5,-0.2 0.951 115.1 34.5 -56.6 -54.2 26.3 34.7 78.8 12 10 A T H X S+ 0 0 48 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.837 120.8 49.1 -76.1 -28.2 29.2 32.9 77.0 13 11 A L H < S+ 0 0 1 -4,-2.0 13,-1.7 -5,-0.2 4,-0.2 0.795 115.2 43.7 -76.7 -31.5 31.9 34.8 78.8 14 12 A E H < S+ 0 0 106 -4,-2.6 -2,-0.2 11,-0.2 -3,-0.2 0.812 113.2 50.4 -83.6 -36.4 30.4 34.2 82.3 15 13 A N H < S- 0 0 121 -4,-2.3 -2,-0.2 -5,-0.3 -3,-0.2 0.902 118.3-131.0 -57.2 -42.4 29.7 30.5 81.4 16 14 A G < - 0 0 6 -4,-1.6 2,-0.6 -5,-0.2 9,-0.2 0.148 0.8-102.4 103.5 142.7 33.4 30.6 80.4 17 15 A I B -A 24 0A 22 7,-2.6 7,-2.7 -4,-0.2 2,-0.2 -0.916 38.5-138.0-100.4 116.5 35.3 29.4 77.3 18 16 A N + 0 0 108 -2,-0.6 2,-0.3 5,-0.2 5,-0.2 -0.514 32.8 158.8 -73.9 133.9 37.0 26.1 77.9 19 17 A S > - 0 0 9 3,-0.5 3,-0.7 -2,-0.2 63,-0.0 -0.920 53.7-110.1-143.8 172.9 40.5 25.6 76.7 20 18 A E T 3 S+ 0 0 170 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 0.668 122.0 57.0 -79.2 -14.8 43.4 23.3 77.6 21 19 A E T 3 S- 0 0 67 1,-0.4 -1,-0.2 58,-0.1 2,-0.2 0.634 126.8 -82.0 -86.1 -12.6 45.1 26.3 78.8 22 20 A G < - 0 0 21 -3,-0.7 -3,-0.5 23,-0.1 2,-0.4 -0.751 56.6 -50.4 133.3 172.4 42.2 27.0 81.2 23 21 A E - 0 0 46 -2,-0.2 22,-2.5 -5,-0.2 2,-0.6 -0.703 46.7-142.8 -84.5 127.3 38.7 28.4 81.4 24 22 A I E +AB 17 44A 0 -7,-2.7 -7,-2.6 -2,-0.4 2,-0.3 -0.890 30.3 176.5 -91.8 116.8 38.4 32.0 80.0 25 23 A R E - B 0 43A 103 18,-2.0 18,-2.4 -2,-0.6 2,-0.6 -0.899 36.8-118.4-123.9 152.3 36.0 34.0 82.1 26 24 A L E + B 0 42A 20 -13,-1.7 16,-0.2 -2,-0.3 3,-0.1 -0.780 36.4 168.8 -84.0 120.3 34.6 37.6 82.3 27 25 A V E + 0 0 90 14,-2.9 2,-0.3 -2,-0.6 15,-0.2 0.564 58.8 17.8-114.6 -7.6 35.7 38.8 85.7 28 26 A R E - B 0 41A 143 13,-1.1 13,-2.8 2,-0.0 2,-0.4 -0.950 54.8-165.6-166.2 142.0 35.0 42.6 85.5 29 27 A K E + B 0 40A 88 -2,-0.3 2,-0.4 11,-0.2 11,-0.2 -0.997 8.5 178.5-131.1 130.2 33.0 45.1 83.4 30 28 A S E - B 0 39A 37 9,-1.7 9,-2.7 -2,-0.4 2,-0.1 -0.990 31.5-115.9-134.8 133.3 33.2 48.8 83.3 31 29 A Q E - B 0 38A 97 -2,-0.4 7,-0.3 7,-0.2 4,-0.1 -0.366 33.6-148.8 -48.4 126.4 31.3 51.4 81.2 32 30 A G - 0 0 22 5,-3.4 5,-0.1 2,-0.4 -1,-0.1 -0.075 37.9 -77.3 -82.2-166.4 33.5 53.2 78.7 33 31 A R S S+ 0 0 98 3,-0.1 2,-0.2 236,-0.0 -2,-0.1 0.807 115.4 54.3 -68.3 -28.9 33.2 56.8 77.5 34 32 A F S > S- 0 0 3 1,-0.1 3,-1.2 235,-0.1 -2,-0.4 -0.671 92.9-113.6-106.6 160.5 30.4 56.0 75.0 35 33 A K T 3 S+ 0 0 72 1,-0.3 -1,-0.1 -2,-0.2 -3,-0.1 0.829 113.6 42.8 -66.4 -35.2 27.2 54.2 76.0 36 34 A E T 3 S+ 0 0 33 -5,-0.1 20,-3.3 2,-0.0 2,-0.4 0.183 97.0 101.4 -96.4 15.1 27.7 51.0 74.1 37 35 A E E < + C 0 55A 0 -3,-1.2 -5,-3.4 18,-0.2 2,-0.3 -0.885 44.1 164.6-108.4 128.1 31.3 50.8 75.1 38 36 A F E -BC 31 54A 29 16,-2.2 16,-2.5 -2,-0.4 2,-0.5 -0.973 34.9-131.5-136.2 150.3 32.7 48.5 77.8 39 37 A N E -BC 30 53A 40 -9,-2.7 -9,-1.7 -2,-0.3 2,-0.6 -0.935 23.4-163.4 -95.4 127.0 35.9 47.1 79.1 40 38 A F E -BC 29 52A 0 12,-3.4 12,-3.2 -2,-0.5 2,-0.5 -0.957 6.3-154.5-113.8 107.1 35.6 43.3 79.7 41 39 A D E -BC 28 51A 37 -13,-2.8 -14,-2.9 -2,-0.6 -13,-1.1 -0.760 14.4-161.7 -82.3 129.5 38.4 42.1 81.9 42 40 A L E -BC 26 50A 3 8,-3.6 7,-3.8 -2,-0.5 8,-1.4 -0.928 8.5-158.4-118.9 137.0 39.1 38.4 81.3 43 41 A S E -BC 25 48A 12 -18,-2.4 -18,-2.0 -2,-0.4 2,-0.5 -0.817 11.5-144.5-106.8 151.0 40.9 35.9 83.4 44 42 A L E > S-BC 24 47A 14 3,-2.9 3,-2.1 -2,-0.3 2,-0.6 -0.983 79.0 -41.0-110.9 117.6 42.5 32.6 82.2 45 43 A G T 3 S- 0 0 33 -22,-2.5 -20,-0.1 -2,-0.5 -2,-0.1 -0.529 126.1 -31.0 57.0-111.0 42.0 30.1 85.0 46 44 A S T 3 S+ 0 0 119 -2,-0.6 -1,-0.3 2,-0.1 -24,-0.0 0.449 121.9 90.8-119.3 -8.8 42.7 32.3 87.9 47 45 A K E < S-C 44 0A 110 -3,-2.1 -3,-2.9 1,-0.1 2,-0.1 -0.651 88.2-100.9 -90.1 144.5 45.2 34.7 86.3 48 46 A P E -C 43 0A 94 0, 0.0 -5,-0.3 0, 0.0 24,-0.1 -0.462 41.1-179.0 -59.5 133.6 44.2 38.0 84.6 49 47 A L E - 0 0 1 -7,-3.8 23,-3.0 1,-0.4 2,-0.3 0.854 45.1 -59.0 -98.2 -63.3 44.3 37.2 80.8 50 48 A L E -C 42 0A 5 -8,-1.4 -8,-3.6 21,-0.2 2,-0.4 -0.950 44.5 -92.2-169.5 176.2 43.4 40.4 79.0 51 49 A T E -CD 41 69A 25 18,-2.3 18,-2.2 -2,-0.3 2,-0.6 -0.941 21.5-157.6-112.2 130.1 40.9 43.2 78.4 52 50 A L E -CD 40 68A 1 -12,-3.2 -12,-3.4 -2,-0.4 2,-0.8 -0.969 5.7-159.0 -97.6 112.4 38.2 43.2 75.7 53 51 A K E -CD 39 67A 10 14,-2.7 14,-2.7 -2,-0.6 2,-0.4 -0.875 21.0-165.9 -87.2 113.6 37.1 46.8 74.8 54 52 A V E -CD 38 66A 2 -16,-2.5 -16,-2.2 -2,-0.8 2,-0.5 -0.826 19.2-167.3-105.6 135.8 33.7 46.1 73.3 55 53 A F E -CD 37 65A 3 10,-3.0 10,-2.0 -2,-0.4 -18,-0.2 -0.980 8.3-161.2-122.0 116.9 31.7 48.5 71.2 56 54 A L - 0 0 4 -20,-3.3 -51,-0.1 -2,-0.5 -19,-0.1 0.616 40.9-103.7 -77.3 -18.2 28.3 47.1 70.9 57 55 A G - 0 0 5 6,-0.3 6,-0.2 -21,-0.1 -1,-0.2 -0.064 20.0-150.2 108.2 147.1 27.1 49.3 67.9 58 56 A R B >> -H 62 0B 34 4,-3.1 4,-2.7 -3,-0.1 3,-0.7 -0.632 50.4-127.1-144.7 74.1 24.8 52.3 67.4 59 57 A K T 34 S+ 0 0 139 1,-0.3 -57,-0.1 2,-0.3 4,-0.1 -0.384 77.6 13.2 -77.7 151.6 23.8 51.5 63.9 60 58 A P T 34 S+ 0 0 77 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 -0.971 132.0 48.5 -79.8 -2.3 23.7 52.9 61.2 61 59 A Y T <4 S+ 0 0 57 -3,-0.7 2,-0.4 1,-0.2 -2,-0.3 0.939 123.8 16.2 -67.2 -50.9 26.0 55.6 62.8 62 60 A W B < S-H 58 0B 44 -4,-2.7 -4,-3.1 3,-0.0 -1,-0.2 -0.989 71.7-143.5-131.2 126.1 28.6 53.3 64.4 63 61 A Q - 0 0 95 -2,-0.4 -6,-0.3 -6,-0.2 33,-0.0 -0.514 37.2 -93.0 -76.5 149.5 29.2 49.6 63.6 64 62 A P + 0 0 11 0, 0.0 34,-0.4 0, 0.0 2,-0.3 -0.260 48.6 174.6 -60.9 149.1 30.2 47.2 66.4 65 63 A W E -D 55 0A 7 -10,-2.0 -10,-3.0 32,-0.1 2,-0.4 -0.982 19.4-151.1-150.7 156.1 33.9 46.5 67.1 66 64 A V E -De 54 99A 0 32,-1.3 34,-2.1 -2,-0.3 2,-0.5 -0.995 6.4-158.7-130.8 135.5 36.0 44.7 69.7 67 65 A E E -De 53 100A 10 -14,-2.7 -14,-2.7 -2,-0.4 2,-0.7 -0.972 2.9-160.5-113.3 116.8 39.6 45.6 70.7 68 66 A V E +De 52 101A 1 32,-3.9 34,-3.2 -2,-0.5 2,-0.3 -0.885 35.6 134.0-101.2 115.1 41.7 42.9 72.3 69 67 A F E +D 51 0A 47 -18,-2.2 -18,-2.3 -2,-0.7 -2,-0.0 -0.861 31.5 59.5-144.3 171.4 44.6 44.5 74.2 70 68 A G - 0 0 35 -2,-0.3 2,-0.2 -20,-0.2 -1,-0.1 0.871 59.8-170.9 72.0 39.8 46.4 44.3 77.6 71 69 A V - 0 0 4 -21,-0.2 -21,-0.2 1,-0.1 -1,-0.2 -0.449 36.4-102.3 -62.7 125.7 47.6 40.7 77.4 72 70 A N > - 0 0 26 -23,-3.0 3,-2.5 -2,-0.2 4,-0.3 -0.393 28.9-141.4 -46.7 114.1 49.1 39.7 80.7 73 71 A P G > S+ 0 0 28 0, 0.0 3,-0.6 0, 0.0 4,-0.3 0.771 101.1 55.1 -59.1 -26.4 52.9 39.8 80.0 74 72 A N G 3 S+ 0 0 110 1,-0.2 -2,-0.1 2,-0.1 -3,-0.0 0.399 109.5 48.2 -87.7 7.3 53.5 36.7 82.0 75 73 A L G X> S+ 0 0 10 -3,-2.5 4,-2.6 -26,-0.1 3,-0.7 0.317 79.5 101.6-120.2 8.9 50.9 34.8 79.9 76 74 A R H <> S+ 0 0 23 -3,-0.6 4,-1.8 -4,-0.3 -2,-0.1 0.890 83.6 45.3 -63.5 -48.6 52.1 35.8 76.4 77 75 A N H 34 S+ 0 0 103 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.578 118.0 48.5 -70.6 -9.5 54.0 32.5 75.5 78 76 A V H <4 S+ 0 0 69 -3,-0.7 -2,-0.2 4,-0.0 -1,-0.2 0.846 116.3 38.9 -93.9 -41.6 51.0 30.7 76.9 79 77 A F H >< S+ 0 0 3 -4,-2.6 3,-2.1 2,-0.1 6,-0.6 0.952 93.6 79.8 -80.3 -54.7 48.2 32.6 75.0 80 78 A F T 3< S+ 0 0 24 -4,-1.8 3,-0.1 1,-0.3 44,-0.0 -0.404 110.2 9.7 -65.1 122.8 49.5 33.3 71.5 81 79 A G T 3 S+ 0 0 50 1,-0.3 -1,-0.3 -2,-0.2 -2,-0.1 0.300 102.8 125.8 89.9 -5.3 49.1 30.2 69.3 82 80 A S S <> S- 0 0 8 -3,-2.1 4,-1.6 1,-0.1 -1,-0.3 -0.257 77.2-113.1 -77.9 166.0 47.0 28.3 72.0 83 81 A E H > S+ 0 0 59 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.761 118.9 61.7 -59.9 -27.7 43.5 26.7 71.6 84 82 A A H > S+ 0 0 1 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.953 102.5 46.6 -66.1 -49.8 42.5 29.5 74.0 85 83 A E H > S+ 0 0 0 -6,-0.6 4,-2.3 1,-0.2 5,-0.2 0.920 114.4 48.5 -57.7 -47.0 43.4 32.3 71.6 86 84 A R H X S+ 0 0 113 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.864 112.1 47.6 -57.9 -44.2 41.6 30.4 68.8 87 85 A K H X S+ 0 0 63 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.934 111.4 52.4 -71.3 -41.7 38.4 29.8 70.8 88 86 A L H X S+ 0 0 0 -4,-2.8 4,-2.6 -5,-0.2 -2,-0.2 0.956 112.4 42.8 -54.0 -55.3 38.4 33.5 71.9 89 87 A Y H X S+ 0 0 0 -4,-2.3 4,-3.4 1,-0.2 -1,-0.2 0.851 111.2 56.8 -60.0 -39.7 38.7 34.9 68.3 90 88 A E H X S+ 0 0 66 -4,-1.9 4,-0.7 2,-0.2 -1,-0.2 0.909 109.0 45.0 -57.1 -51.3 36.2 32.4 67.1 91 89 A F H >< S+ 0 0 14 -4,-2.2 3,-1.1 2,-0.2 4,-0.3 0.943 114.3 50.2 -54.8 -53.9 33.6 33.7 69.7 92 90 A L H >X S+ 0 0 1 -4,-2.6 3,-2.3 1,-0.2 4,-1.8 0.923 104.2 58.0 -52.9 -46.2 34.5 37.3 68.8 93 91 A S H 3< S+ 0 0 15 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.681 99.0 60.3 -63.5 -19.1 34.0 36.7 65.0 94 92 A E T << S+ 0 0 133 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.541 119.0 27.1 -78.6 -8.8 30.4 35.6 65.7 95 93 A H T <4 S+ 0 0 29 -3,-2.3 2,-0.4 -4,-0.3 -2,-0.2 0.473 113.4 57.4-131.9 -14.6 29.7 39.0 67.1 96 94 A F < - 0 0 3 -4,-1.8 -1,-0.2 1,-0.1 -31,-0.1 -0.970 45.7-166.2-133.9 125.1 32.0 41.7 65.6 97 95 A G S S+ 0 0 36 -2,-0.4 59,-3.0 -33,-0.2 2,-0.4 0.638 86.9 45.2 -73.4 -16.4 32.5 42.7 61.9 98 96 A R E - F 0 155A 65 -34,-0.4 -32,-1.3 57,-0.2 2,-0.3 -0.995 69.6-176.8-134.2 134.5 35.6 44.6 62.9 99 97 A I E -eF 66 154A 0 55,-3.0 55,-2.9 -2,-0.4 2,-0.4 -0.967 13.5-163.2-131.9 146.2 38.4 43.5 65.3 100 98 A F E -eF 67 153A 0 -34,-2.1 -32,-3.9 -2,-0.3 2,-0.5 -1.000 11.7-174.3-122.9 129.0 41.6 45.0 66.7 101 99 A V E -eF 68 152A 1 51,-2.5 51,-2.5 -2,-0.4 2,-0.5 -0.980 23.3-133.3-127.1 121.5 44.2 42.8 68.3 102 100 A E E - F 0 151A 11 -34,-3.2 49,-0.3 -2,-0.5 3,-0.2 -0.609 23.0-178.3 -67.0 119.2 47.3 44.2 70.0 103 101 A Y > + 0 0 6 47,-2.2 3,-2.2 -2,-0.5 7,-0.4 0.388 48.6 107.6-101.9 2.2 50.2 42.2 68.7 104 102 A F T 3 S+ 0 0 6 46,-0.7 -1,-0.1 1,-0.3 47,-0.1 0.851 84.1 42.0 -53.8 -43.2 53.0 43.8 70.8 105 103 A E T 3 S+ 0 0 4 -3,-0.2 2,-0.8 1,-0.1 -1,-0.3 0.313 93.9 90.0 -88.6 5.3 53.6 40.7 73.0 106 104 A D <> - 0 0 5 -3,-2.2 4,-2.4 1,-0.2 5,-0.2 -0.902 56.3-174.8-105.0 98.4 53.3 38.2 70.2 107 105 A K H > S+ 0 0 69 -2,-0.8 4,-2.8 2,-0.2 -1,-0.2 0.806 78.4 56.1 -71.9 -32.2 56.9 37.9 69.0 108 106 A E H > S+ 0 0 68 2,-0.2 4,-3.0 3,-0.2 -1,-0.2 0.988 113.9 40.4 -58.2 -58.6 56.2 35.6 66.0 109 107 A T H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.894 116.1 51.3 -56.1 -48.0 53.7 38.2 64.5 110 108 A T H X S+ 0 0 4 -4,-2.4 4,-2.0 -7,-0.4 -1,-0.2 0.948 113.1 45.8 -50.8 -50.8 55.9 41.1 65.5 111 109 A Y H X S+ 0 0 64 -4,-2.8 4,-1.1 2,-0.2 -2,-0.2 0.902 114.2 47.4 -62.5 -45.4 58.9 39.3 63.8 112 110 A E H ><>S+ 0 0 2 -4,-3.0 5,-2.2 2,-0.2 3,-0.7 0.941 110.9 50.2 -63.0 -51.5 56.9 38.4 60.6 113 111 A L H ><5S+ 0 0 17 -4,-2.9 3,-1.5 1,-0.3 -1,-0.2 0.869 108.1 54.2 -52.7 -45.0 55.4 41.9 60.2 114 112 A Q H 3<5S+ 0 0 112 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.767 105.6 52.8 -59.2 -31.9 58.8 43.5 60.5 115 113 A K T <<5S- 0 0 86 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.223 125.4-104.8 -90.3 10.6 60.1 41.2 57.7 116 114 A G T < 5 + 0 0 40 -3,-1.5 -3,-0.2 1,-0.2 -2,-0.1 0.682 61.6 159.6 78.3 22.7 57.2 42.4 55.6 117 115 A V < - 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0 0 33 8,-2.6 8,-0.4 1,-0.1 5,-0.1 -0.740 50.1-101.6 -94.0 130.0 52.9 53.5 66.0 142 140 A P >> - 0 0 21 0, 0.0 4,-2.2 0, 0.0 3,-2.1 -0.248 19.6-140.1 -62.6 130.3 55.8 54.0 68.4 143 141 A E T 34 S+ 0 0 5 1,-0.3 4,-0.1 2,-0.2 -2,-0.0 0.627 101.9 62.7 -57.5 -18.2 54.8 53.4 72.0 144 142 A G T 34 S+ 0 0 0 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.630 109.8 41.6 -84.4 -16.7 56.9 56.4 73.1 145 143 A L T <4 S- 0 0 7 -3,-2.1 2,-0.3 1,-0.3 -2,-0.2 0.868 138.2 -8.4 -89.0 -51.9 54.6 58.6 71.1 146 144 A X < - 0 0 28 -4,-2.2 3,-0.5 -5,-0.1 -1,-0.3 -0.948 68.9-125.3-154.0 118.8 51.3 56.9 72.0 147 145 A E S S+ 0 0 88 -2,-0.3 -3,-0.0 1,-0.2 -4,-0.0 -0.321 92.4 37.1 -53.4 146.3 50.7 53.7 74.0 148 146 A G S S+ 0 0 12 2,-0.1 -1,-0.2 195,-0.1 3,-0.1 0.752 73.2 120.3 81.1 31.4 48.4 51.2 72.1 149 147 A G + 0 0 0 -3,-0.5 -8,-2.6 -8,-0.4 2,-0.6 0.233 47.4 86.3-115.7 17.1 49.6 51.6 68.5 150 148 A H + 0 0 13 -10,-0.2 -47,-2.2 192,-0.1 -46,-0.7 -0.708 64.9 132.3-111.7 78.0 50.8 48.0 67.6 151 149 A K E -F 102 0A 7 -2,-0.6 -12,-3.2 -12,-0.3 2,-0.4 -0.924 55.0-135.9-129.6 143.5 47.5 46.6 66.5 152 150 A I E -FG 101 138A 0 -51,-2.5 -51,-2.5 -2,-0.3 2,-0.4 -0.882 24.2-160.9 -89.9 134.3 46.2 44.5 63.7 153 151 A Q E +FG 100 137A 16 -16,-2.5 -16,-2.6 -2,-0.4 2,-0.3 -0.989 15.6 175.2-116.9 127.6 42.8 46.0 62.5 154 152 A A E -FG 99 136A 0 -55,-2.9 -55,-3.0 -2,-0.4 2,-0.4 -0.990 12.0-165.8-142.1 144.6 40.6 43.7 60.5 155 153 A E E -FG 98 135A 39 -20,-2.2 -21,-2.8 -2,-0.3 -20,-2.3 -0.966 24.1-119.5-134.8 141.9 37.2 43.8 59.0 156 154 A K - 0 0 71 -59,-3.0 -23,-0.2 -2,-0.4 2,-0.2 -0.534 43.4-109.3 -65.8 142.8 34.7 41.3 57.5 157 155 A P - 0 0 27 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 -0.521 12.9-134.3 -78.2 152.8 33.8 42.1 53.9 158 156 A K S S+ 0 0 150 -2,-0.2 2,-0.3 1,-0.1 -2,-0.0 0.814 85.1 18.1 -67.9 -37.5 30.3 43.6 52.9 159 157 A T S > S- 0 0 79 1,-0.1 4,-2.0 0, 0.0 5,-0.1 -0.913 75.7-113.9-136.0 162.8 29.8 41.2 49.9 160 158 A E H > S+ 0 0 106 -2,-0.3 4,-2.1 2,-0.2 5,-0.1 0.784 115.5 52.7 -64.0 -31.3 31.2 37.9 48.5 161 159 A E H > S+ 0 0 114 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.882 107.4 48.1 -76.9 -45.2 32.7 39.8 45.5 162 160 A A H > S+ 0 0 5 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.912 112.1 53.8 -53.7 -44.0 34.6 42.4 47.5 163 161 A K H X S+ 0 0 58 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.926 107.5 48.5 -56.5 -50.1 35.8 39.3 49.5 164 162 A K H X S+ 0 0 86 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.864 112.0 51.4 -56.6 -35.0 37.0 37.7 46.2 165 163 A R H X S+ 0 0 150 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.838 107.2 48.8 -76.7 -39.4 38.8 40.9 45.2 166 164 A H H X S+ 0 0 81 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.846 109.3 55.5 -68.9 -30.5 40.7 41.5 48.4 167 165 A L H X S+ 0 0 22 -4,-1.6 4,-1.6 -5,-0.2 -2,-0.2 0.908 103.7 52.6 -68.7 -41.6 41.9 37.8 48.2 168 166 A E H X S+ 0 0 121 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.896 111.1 50.2 -52.2 -42.9 43.3 38.3 44.7 169 167 A N H X S+ 0 0 80 -4,-1.5 4,-2.3 1,-0.2 -2,-0.2 0.852 103.8 55.2 -65.1 -37.4 45.2 41.2 46.1 170 168 A L H X S+ 0 0 10 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.831 106.6 55.4 -62.4 -33.5 46.5 39.1 49.1 171 169 A K H X S+ 0 0 89 -4,-1.6 4,-3.2 2,-0.2 5,-0.3 0.940 105.4 47.9 -65.8 -54.2 47.9 36.8 46.4 172 170 A K H X S+ 0 0 152 -4,-1.9 4,-3.0 1,-0.2 5,-0.2 0.967 115.0 48.3 -47.5 -54.2 49.8 39.4 44.6 173 171 A E H X S+ 0 0 69 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.884 112.0 49.0 -55.6 -45.0 51.2 40.5 48.0 174 172 A F H X S+ 0 0 11 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.917 114.5 43.6 -58.2 -51.4 52.0 36.9 49.0 175 173 A E H X S+ 0 0 102 -4,-3.2 4,-0.8 1,-0.2 -2,-0.2 0.867 113.8 52.3 -67.5 -34.2 53.9 36.3 45.7 176 174 A E H < S+ 0 0 136 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.2 0.843 113.1 44.4 -61.5 -40.1 55.5 39.7 46.0 177 175 A F H >< S+ 0 0 5 -4,-1.8 3,-1.5 -5,-0.2 -2,-0.2 0.889 108.0 57.2 -74.0 -41.9 56.7 38.8 49.5 178 176 A I H 3< S+ 0 0 34 -4,-2.3 3,-0.2 1,-0.3 -1,-0.2 0.623 108.9 46.5 -67.0 -20.7 57.8 35.3 48.6 179 177 A G T 3< S+ 0 0 73 -4,-0.8 -1,-0.3 -3,-0.1 -2,-0.1 -0.081 111.8 51.3-108.1 32.0 60.2 36.7 45.9 180 178 A K S < S+ 0 0 120 -3,-1.5 2,-0.4 2,-0.1 -2,-0.2 0.094 96.1 88.3-147.6 14.2 61.7 39.4 48.2 181 179 A C - 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0 0 37 8,-3.1 8,-0.5 -2,-0.1 5,-0.1 -0.812 46.5-107.1 -97.8 125.5 50.0 66.4 67.1 536 140 C P >> - 0 0 17 0, 0.0 4,-2.3 0, 0.0 3,-1.3 -0.152 18.6-138.2 -49.8 131.5 47.4 68.8 68.6 537 141 C E T 34 S+ 0 0 2 1,-0.3 4,-0.1 2,-0.2 -273,-0.0 0.703 104.2 67.5 -65.7 -22.8 46.8 68.0 72.3 538 142 C G T 34 S+ 0 0 0 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.760 109.0 36.9 -64.6 -29.4 43.1 68.6 71.5 539 143 C L T <4 S- 0 0 13 -3,-1.3 2,-0.3 1,-0.3 -2,-0.2 0.912 139.0 -10.3 -83.8 -51.8 43.4 65.4 69.4 540 144 C X >< - 0 0 19 -4,-2.3 3,-0.6 -5,-0.1 -1,-0.3 -0.961 68.2-120.2-157.6 127.3 45.7 63.5 71.6 541 145 C E T 3 S+ 0 0 59 -2,-0.3 -4,-0.0 1,-0.2 -3,-0.0 -0.404 92.1 27.1 -70.6 143.9 47.9 64.3 74.6 542 146 C G T 3 S+ 0 0 5 -2,-0.1 -1,-0.2 -7,-0.1 -5,-0.0 0.863 76.4 124.0 70.1 39.7 51.7 63.8 74.4 543 147 C G < + 0 0 0 -3,-0.6 -8,-3.1 -8,-0.5 2,-0.6 0.156 45.8 89.7-112.0 18.5 52.1 64.2 70.6 544 148 C H E + W 0 534E 7 -10,-0.3 -47,-1.4 -399,-0.1 -46,-0.7 -0.797 64.9 121.7-106.0 83.5 54.7 67.1 70.8 545 149 C K E -VW 496 533E 6 -12,-1.1 -12,-2.7 -2,-0.6 2,-0.4 -1.000 57.5-130.6-148.3 148.1 57.9 65.1 70.8 546 150 C I E -VW 495 532E 1 -51,-2.3 -51,-2.0 -2,-0.3 2,-0.5 -0.797 20.0-153.7 -91.4 132.6 61.2 64.5 69.0 547 151 C Q E -VW 494 531E 9 -16,-3.2 -16,-2.6 -2,-0.4 2,-0.4 -0.959 17.5-174.2-103.3 127.3 62.1 60.9 68.2 548 152 C A E -VW 493 530E 0 -55,-3.0 -55,-2.8 -2,-0.5 2,-0.4 -0.979 2.6-169.3-131.5 139.9 65.8 60.4 67.9 549 153 C E E -VW 492 529E 41 -20,-2.3 -20,-2.9 -2,-0.4 -21,-2.7 -0.984 21.2-128.5-137.6 134.6 67.8 57.3 66.9 550 154 C K - 0 0 59 -59,-2.8 -23,-0.2 -2,-0.4 2,-0.1 -0.557 44.8 -98.5 -70.5 140.2 71.3 56.0 66.8 551 155 C P - 0 0 33 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.352 20.6-147.5 -55.4 133.8 72.5 54.6 63.5 552 156 C K S S+ 0 0 137 1,-0.1 2,-0.3 -2,-0.1 -2,-0.0 0.662 82.1 6.7 -74.9 -13.2 72.3 50.9 63.3 553 157 C T S > S- 0 0 70 1,-0.1 4,-2.0 0, 0.0 -1,-0.1 -0.963 80.7-100.6-165.9 155.1 75.3 50.9 61.1 554 158 C E H > S+ 0 0 114 -2,-0.3 4,-1.7 1,-0.2 5,-0.1 0.824 123.6 50.7 -60.1 -32.4 78.0 53.2 59.6 555 159 C E H > S+ 0 0 148 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.820 106.2 53.3 -74.3 -36.5 76.1 53.3 56.3 556 160 C A H > S+ 0 0 3 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.906 108.9 51.5 -59.5 -44.1 72.8 54.2 58.1 557 161 C K H X S+ 0 0 81 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.932 106.7 52.7 -56.2 -51.1 74.7 57.1 59.7 558 162 C K H X S+ 0 0 113 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.921 111.6 46.9 -49.9 -50.8 76.0 58.3 56.3 559 163 C R H X S+ 0 0 121 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.902 110.6 50.0 -59.9 -48.1 72.4 58.3 55.0 560 164 C H H X S+ 0 0 17 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.905 111.7 50.8 -60.8 -39.9 70.9 60.2 58.0 561 165 C L H X S+ 0 0 70 -4,-2.8 4,-1.8 2,-0.2 -2,-0.2 0.812 107.0 52.4 -70.7 -29.7 73.7 62.8 57.6 562 166 C E H X S+ 0 0 127 -4,-1.9 4,-2.2 -5,-0.2 -2,-0.2 0.906 109.5 50.5 -66.7 -40.3 72.9 63.2 53.9 563 167 C N H X S+ 0 0 82 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.945 109.1 51.7 -60.4 -45.8 69.3 63.8 54.8 564 168 C L H X S+ 0 0 14 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.891 107.0 51.8 -56.3 -45.9 70.4 66.4 57.4 565 169 C K H X S+ 0 0 107 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.951 112.1 48.0 -55.8 -48.7 72.5 68.3 54.9 566 170 C K H X S+ 0 0 126 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.864 112.6 46.9 -58.6 -41.4 69.4 68.4 52.6 567 171 C E H < S+ 0 0 67 -4,-2.6 4,-0.3 2,-0.2 -1,-0.2 0.873 109.1 55.7 -69.3 -36.8 67.1 69.6 55.4 568 172 C F H >X S+ 0 0 17 -4,-2.8 4,-1.3 -5,-0.2 3,-1.1 0.975 113.8 40.7 -54.9 -54.1 69.7 72.2 56.3 569 173 C E H 3< S+ 0 0 97 -4,-2.5 4,-0.3 1,-0.2 -2,-0.2 0.837 108.1 58.6 -62.7 -39.7 69.6 73.5 52.7 570 174 C E T 3< S+ 0 0 138 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.487 108.3 51.8 -71.3 0.8 65.8 73.2 52.2 571 175 C F T <4 S+ 0 0 32 -3,-1.1 -2,-0.2 -4,-0.3 -1,-0.2 0.784 96.8 58.7-106.4 -42.1 65.6 75.6 55.2 572 176 C I < 0 0 65 -4,-1.3 -2,-0.1 -5,-0.1 -3,-0.1 0.437 360.0 360.0 -69.7 5.2 67.9 78.5 54.2 573 177 C G 0 0 105 -4,-0.3 -3,-0.0 0, 0.0 -4,-0.0 -0.710 360.0 360.0 -85.3 360.0 65.5 78.7 51.2 574 ! 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 0.0 575 182 C E 0 0 134 0, 0.0 -66,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-166.3 64.6 85.0 59.1 576 183 C G > + 0 0 41 2,-0.1 3,-1.6 1,-0.0 4,-0.2 0.598 360.0 76.8-117.2 -23.1 67.7 85.9 61.2 577 184 C L T >> S+ 0 0 61 1,-0.3 4,-2.1 2,-0.2 3,-0.8 0.483 70.9 94.7 -65.4 -5.7 67.9 82.8 63.4 578 185 C I H 3> S+ 0 0 34 1,-0.2 4,-3.2 2,-0.2 -1,-0.3 0.923 79.8 54.5 -44.4 -48.7 69.3 81.4 60.1 579 186 C K H <> S+ 0 0 141 -3,-1.6 4,-1.6 1,-0.2 -1,-0.2 0.729 105.4 53.9 -63.6 -23.1 72.8 82.2 61.6 580 187 C K H <> S+ 0 0 68 -3,-0.8 4,-1.5 -4,-0.2 -1,-0.2 0.887 112.6 40.8 -75.2 -47.2 71.8 80.2 64.7 581 188 C V H X S+ 0 0 2 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.915 113.8 56.1 -64.7 -44.2 71.0 77.1 62.6 582 189 C K H X S+ 0 0 100 -4,-3.2 4,-1.3 1,-0.2 -2,-0.2 0.873 109.0 45.5 -52.4 -46.4 74.1 77.8 60.5 583 190 C E H < S+ 0 0 157 -4,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.813 111.2 53.9 -73.7 -29.5 76.4 77.8 63.5 584 191 C R H < S+ 0 0 22 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.934 105.4 51.8 -65.7 -48.2 74.7 74.6 64.8 585 192 C Y H < S+ 0 0 41 -4,-2.5 2,-1.3 -70,-0.1 -2,-0.2 0.804 82.6 92.2 -61.4 -32.5 75.3 72.6 61.6 586 193 C N < 0 0 109 -4,-1.3 -1,-0.1 -5,-0.2 -4,-0.0 -0.541 360.0 360.0 -63.4 96.7 79.0 73.6 61.6 587 194 C F 0 0 212 -2,-1.3 -1,-0.1 -63,-0.0 -2,-0.1 0.618 360.0 360.0 -82.3 360.0 79.4 70.3 63.5