==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 06-MAY-07 2YZS . COMPND 2 MOLECULE: PUTATIVE UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR A.EBIHARA,S.YOKOYAMA,S.KURAMITSU,RIKEN STRUCTURAL . 617 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28578.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 458 74.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 64 10.4 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 . 6 1.0 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 . 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 . 28 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 263 42.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.8 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 0 0 0 0 0 4 2 1 1 0 2 0 4 0 0 0 0 0 2 4 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 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 0 PARALLEL BRIDGES PER LADDER . 0 0 1 8 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 ANTIPARALLEL BRIDGES PER LADDER . 4 0 0 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 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 2 A G 0 0 68 0, 0.0 35,-0.1 0, 0.0 261,-0.0 0.000 360.0 360.0 360.0 88.3 31.6 44.4 -0.0 2 3 A R + 0 0 95 33,-0.1 34,-3.1 34,-0.1 35,-1.0 0.824 360.0 74.4 -71.6 -33.0 30.8 43.9 3.6 3 4 A V E S-a 37 0A 9 33,-0.2 2,-0.4 32,-0.2 35,-0.2 -0.690 73.5-153.7 -84.0 133.9 27.2 45.1 3.2 4 5 A Y E -a 38 0A 40 33,-3.1 35,-2.8 -2,-0.4 2,-0.5 -0.915 6.4-163.4-112.9 133.5 25.0 42.4 1.5 5 6 A Y E -a 39 0A 36 -2,-0.4 2,-0.7 33,-0.2 35,-0.2 -0.963 4.8-156.8-118.7 127.5 21.9 43.3 -0.4 6 7 A I E +a 40 0A 3 33,-2.9 35,-2.8 -2,-0.5 36,-0.4 -0.902 23.9 159.9-108.6 111.7 19.2 40.8 -1.3 7 8 A N + 0 0 37 -2,-0.7 2,-0.4 33,-0.2 -1,-0.1 0.309 53.4 79.0-109.9 5.2 17.1 41.7 -4.4 8 9 A S S S- 0 0 57 34,-0.1 34,-0.2 15,-0.0 2,-0.2 -0.904 82.7-110.7-118.1 146.5 15.8 38.3 -5.3 9 10 A H + 0 0 102 -2,-0.4 2,-0.3 32,-0.1 35,-0.2 -0.473 67.2 94.1 -70.4 139.5 13.0 36.3 -3.8 10 11 A G E -h 44 0B 13 33,-2.4 35,-2.4 -2,-0.2 2,-0.4 -0.984 69.8 -58.5 172.5-160.5 14.2 33.2 -1.9 11 12 A T E -hI 45 22B 62 11,-2.7 11,-2.4 -2,-0.3 2,-0.5 -0.970 33.2-160.1-120.6 131.6 15.3 31.5 1.3 12 13 A L E + I 0 21B 1 33,-2.3 35,-0.3 -2,-0.4 2,-0.3 -0.946 26.9 156.0-111.5 129.5 18.2 32.7 3.5 13 14 A S E - I 0 20B 32 7,-2.0 7,-2.1 -2,-0.5 2,-0.5 -0.933 46.7-100.5-148.1 169.7 19.7 30.1 5.8 14 15 A R E + I 0 19B 84 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.829 40.9 178.3 -91.9 130.5 22.7 29.0 7.8 15 16 A H E > - I 0 18B 48 3,-3.8 3,-1.0 -2,-0.5 -2,-0.0 -0.949 63.3 -28.1-138.5 115.7 24.6 26.3 6.0 16 17 A E T 3 S- 0 0 161 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.914 125.1 -45.4 45.3 59.2 27.8 24.8 7.4 17 18 A N T 3 S+ 0 0 111 1,-0.2 15,-0.3 14,-0.1 2,-0.3 0.729 129.3 81.8 59.6 22.7 28.9 27.9 9.3 18 19 A T E < S-I 15 0B 19 -3,-1.0 -3,-3.8 13,-0.1 2,-0.3 -0.892 82.7 -97.7-144.4 174.9 28.1 30.0 6.3 19 20 A L E -IJ 14 30B 0 11,-2.3 11,-3.3 -2,-0.3 2,-0.4 -0.717 30.5-165.8 -97.8 150.2 25.1 31.7 4.7 20 21 A R E -IJ 13 29B 49 -7,-2.1 -7,-2.0 -2,-0.3 2,-0.5 -0.985 6.1-162.9-138.6 126.6 23.2 30.3 1.8 21 22 A F E +IJ 12 28B 9 7,-2.4 7,-2.1 -2,-0.4 2,-0.4 -0.931 21.5 172.5-107.6 130.3 20.7 32.0 -0.5 22 23 A E E +IJ 11 27B 75 -11,-2.4 -11,-2.7 -2,-0.5 2,-0.2 -0.997 15.5 143.3-145.9 141.4 18.5 29.8 -2.5 23 24 A N - 0 0 37 3,-2.2 -13,-0.1 -2,-0.4 3,-0.0 -0.700 68.0 -69.9-146.0-162.5 15.5 30.0 -4.8 24 25 A A S S+ 0 0 103 -2,-0.2 -14,-0.1 1,-0.2 3,-0.1 0.837 129.7 40.9 -71.4 -31.3 14.5 28.0 -8.0 25 26 A E S S+ 0 0 162 1,-0.1 2,-0.3 0, 0.0 -1,-0.2 0.649 119.7 21.5 -92.7 -16.1 17.2 29.6 -10.2 26 27 A V - 0 0 54 2,-0.0 -3,-2.2 -3,-0.0 2,-0.2 -0.983 40.2-169.1-153.1 162.9 20.2 29.7 -7.8 27 28 A K E +J 22 0B 116 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.758 25.8 171.7-152.3 97.7 21.9 28.4 -4.7 28 29 A K E -J 21 0B 112 -7,-2.1 -7,-2.4 -2,-0.2 2,-0.5 -0.908 26.3-138.3-118.4 142.6 25.0 30.4 -3.6 29 30 A D E -J 20 0B 85 -2,-0.4 -9,-0.2 -9,-0.2 -2,-0.0 -0.828 16.4-164.4 -96.7 128.8 27.1 30.1 -0.4 30 31 A I E -J 19 0B 25 -11,-3.3 -11,-2.3 -2,-0.5 2,-0.2 -0.934 23.1-125.9-118.6 110.0 28.1 33.4 1.2 31 32 A P > - 0 0 62 0, 0.0 3,-1.8 0, 0.0 4,-0.2 -0.349 16.3-146.3 -55.5 115.5 30.9 33.3 3.7 32 33 A V G > S+ 0 0 4 -15,-0.3 3,-0.8 1,-0.3 -14,-0.1 0.616 92.0 72.5 -61.2 -12.8 29.3 35.0 6.7 33 34 A E G 3 S+ 0 0 135 1,-0.2 -1,-0.3 3,-0.0 -15,-0.0 0.780 95.3 49.6 -74.6 -26.6 32.7 36.4 7.6 34 35 A D G < S+ 0 0 76 -3,-1.8 2,-0.5 2,-0.0 -1,-0.2 0.356 96.8 89.0 -92.4 6.3 32.6 38.9 4.7 35 36 A V < + 0 0 10 -3,-0.8 -32,-0.2 -4,-0.2 -33,-0.1 -0.912 37.7 161.4-110.0 122.2 29.1 40.0 5.7 36 37 A E S S+ 0 0 56 -34,-3.1 2,-0.3 -2,-0.5 -33,-0.2 0.661 71.9 2.4-107.7 -22.2 28.6 42.9 8.2 37 38 A E E -a 3 0A 0 -35,-1.0 -33,-3.1 22,-0.2 2,-0.4 -0.976 61.9-143.8-162.9 148.8 25.0 43.8 7.5 38 39 A I E -ab 4 61A 0 22,-2.2 24,-3.2 -2,-0.3 2,-0.5 -0.976 4.7-165.3-128.6 128.9 22.1 42.6 5.3 39 40 A F E -ab 5 62A 0 -35,-2.8 -33,-2.9 -2,-0.4 2,-0.5 -0.935 13.6-156.4-108.4 130.6 19.4 44.7 3.5 40 41 A V E +ab 6 63A 1 22,-3.4 24,-2.2 -2,-0.5 -33,-0.2 -0.941 24.8 162.5-114.2 122.1 16.4 42.7 2.2 41 42 A F + 0 0 5 -35,-2.8 2,-0.2 -2,-0.5 -34,-0.1 0.294 60.2 53.2-118.7 7.4 14.3 44.0 -0.6 42 43 A A S S- 0 0 10 -36,-0.4 2,-0.4 -34,-0.2 22,-0.2 -0.737 99.1 -66.5-133.4 179.5 12.4 40.8 -1.8 43 44 A E - 0 0 135 -2,-0.2 -33,-2.4 -36,-0.1 2,-0.4 -0.580 58.9-177.4 -71.3 126.3 10.3 38.0 -0.4 44 45 A L E -h 10 0B 3 -2,-0.4 314,-2.0 -35,-0.2 2,-0.4 -0.991 23.1-152.2-135.3 132.7 12.5 36.0 1.9 45 46 A S E +hK 11 357B 51 -35,-2.4 -33,-2.3 -2,-0.4 2,-0.3 -0.848 32.4 156.5 -98.1 134.9 11.9 32.8 3.9 46 47 A L E - K 0 356B 5 310,-2.8 310,-3.0 -2,-0.4 2,-0.3 -0.932 22.8-154.0-149.7 172.6 14.0 32.5 7.1 47 48 A N E >> - K 0 355B 50 -35,-0.3 4,-2.2 -2,-0.3 3,-0.6 -0.889 38.2 -95.5-144.1 175.4 14.1 30.8 10.5 48 49 A T H 3> S+ 0 0 3 306,-2.2 4,-3.2 -2,-0.3 5,-0.3 0.801 117.8 65.2 -66.5 -27.5 15.6 31.1 14.0 49 50 A K H 3> S+ 0 0 114 305,-0.3 4,-0.9 2,-0.2 -1,-0.2 0.898 109.1 41.4 -60.5 -37.9 18.5 28.9 13.1 50 51 A L H <> S+ 0 0 0 -3,-0.6 4,-2.6 2,-0.2 -2,-0.2 0.956 115.9 47.6 -73.0 -51.8 19.5 31.7 10.7 51 52 A L H X S+ 0 0 3 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.856 110.6 50.9 -59.1 -39.0 18.7 34.6 13.0 52 53 A N H X S+ 0 0 28 -4,-3.2 4,-1.7 2,-0.2 -1,-0.2 0.859 111.7 50.4 -68.3 -30.9 20.5 33.1 15.9 53 54 A F H X S+ 0 0 3 -4,-0.9 4,-1.4 -5,-0.3 -2,-0.2 0.916 111.1 46.2 -70.5 -46.3 23.5 32.6 13.6 54 55 A L H X>S+ 0 0 0 -4,-2.6 5,-2.4 1,-0.2 4,-0.5 0.897 110.4 54.5 -63.5 -39.5 23.4 36.2 12.4 55 56 A A H ><5S+ 0 0 14 -4,-2.5 3,-1.2 1,-0.2 -1,-0.2 0.923 104.9 55.0 -59.5 -42.9 23.1 37.4 16.0 56 57 A S H 3<5S+ 0 0 90 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.820 111.6 42.4 -60.0 -34.3 26.2 35.4 16.8 57 58 A K H 3<5S- 0 0 100 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.431 115.6-115.6 -93.6 1.3 28.2 37.2 14.1 58 59 A G T <<5 + 0 0 13 -3,-1.2 -3,-0.2 -4,-0.5 -2,-0.1 0.951 60.2 155.4 64.9 51.2 26.7 40.6 15.0 59 60 A I < - 0 0 2 -5,-2.4 -22,-0.2 -6,-0.1 -1,-0.2 -0.899 30.5-152.6-116.1 104.2 24.9 41.0 11.7 60 61 A P - 0 0 1 0, 0.0 -22,-2.2 0, 0.0 2,-0.4 -0.397 8.0-147.4 -71.7 156.0 21.8 43.3 11.6 61 62 A L E -bC 38 74A 0 13,-1.7 13,-3.4 -24,-0.2 2,-0.4 -0.995 8.1-161.6-127.0 124.4 19.1 42.6 9.0 62 63 A H E -bC 39 73A 0 -24,-3.2 -22,-3.4 -2,-0.4 2,-0.4 -0.899 9.0-151.2-109.9 135.8 17.0 45.4 7.5 63 64 A F E +bC 40 72A 2 9,-2.9 8,-2.5 -2,-0.4 9,-1.2 -0.876 14.6 180.0-113.7 140.6 13.7 44.7 5.7 64 65 A F E - C 0 70A 4 -24,-2.2 6,-0.3 -2,-0.4 298,-0.1 -0.997 21.4-135.3-133.2 135.6 12.0 46.6 2.9 65 66 A N > - 0 0 36 4,-2.6 3,-2.5 -2,-0.4 294,-0.0 -0.043 41.5 -74.8 -83.2-173.0 8.6 45.6 1.3 66 67 A Y T 3 S+ 0 0 137 1,-0.3 -1,-0.1 2,-0.1 -23,-0.0 0.837 131.7 50.7 -48.4 -41.5 7.4 45.3 -2.3 67 68 A Y T 3 S- 0 0 70 2,-0.1 182,-0.4 1,-0.1 -1,-0.3 0.390 121.3-104.9 -82.0 3.5 7.1 49.1 -2.5 68 69 A G S < S+ 0 0 9 -3,-2.5 2,-0.5 1,-0.3 -2,-0.1 0.632 72.1 151.1 81.0 13.2 10.6 49.7 -1.3 69 70 A Y - 0 0 97 1,-0.1 -4,-2.6 -28,-0.1 -1,-0.3 -0.707 50.7-122.6 -84.9 121.0 9.2 50.8 2.1 70 71 A Y E +C 64 0A 4 -2,-0.5 -6,-0.3 -6,-0.3 3,-0.1 -0.443 34.1 175.6 -61.9 120.8 11.5 50.1 5.1 71 72 A T E - 0 0 7 -8,-2.5 316,-2.2 1,-0.3 2,-0.3 0.675 49.2 -55.0-105.0 -20.9 9.5 47.9 7.5 72 73 A G E -CD 63 386A 0 -9,-1.2 -9,-2.9 314,-0.3 2,-0.4 -0.934 43.6-104.5 162.9 174.7 11.9 47.1 10.3 73 74 A T E -CD 62 385A 0 312,-1.9 312,-3.1 -2,-0.3 2,-1.0 -0.983 16.2-134.4-134.2 139.5 15.2 45.7 11.4 74 75 A F E -CD 61 384A 2 -13,-3.4 -13,-1.7 -2,-0.4 310,-0.3 -0.843 31.6-165.4 -89.0 106.4 16.3 42.5 13.1 75 76 A Y E - D 0 383A 11 308,-2.7 308,-2.2 -2,-1.0 3,-0.1 -0.876 13.2-137.6 -99.4 111.3 18.6 44.1 15.7 76 77 A P E - D 0 382A 1 0, 0.0 306,-0.3 0, 0.0 3,-0.1 -0.107 33.1 -77.2 -65.0 162.5 20.8 41.4 17.3 77 78 A R - 0 0 43 304,-2.3 -19,-0.1 1,-0.1 304,-0.0 -0.390 67.7 -92.9 -56.2 136.8 21.7 41.0 20.9 78 79 A E - 0 0 54 1,-0.1 3,-0.2 -3,-0.1 -1,-0.1 -0.279 29.8-154.6 -58.4 137.5 24.4 43.7 21.7 79 80 A S S S+ 0 0 85 110,-0.4 2,-0.5 1,-0.3 -1,-0.1 0.943 80.5 22.3 -78.5 -52.5 28.0 42.5 21.3 80 81 A S - 0 0 62 109,-0.3 2,-0.4 111,-0.3 -1,-0.3 -0.972 69.5-170.9-124.8 127.0 29.6 45.0 23.7 81 82 A V - 0 0 50 -2,-0.5 2,-0.4 -3,-0.2 112,-0.1 -0.880 5.8-169.2-115.0 145.2 27.8 46.8 26.5 82 83 A S > - 0 0 25 110,-0.5 4,-2.3 -2,-0.4 5,-0.2 -0.908 7.9-169.6-136.3 105.7 29.1 49.7 28.6 83 84 A G H > S+ 0 0 6 -2,-0.4 4,-1.9 433,-0.4 434,-0.2 0.858 90.6 54.1 -61.2 -36.2 27.1 50.7 31.6 84 85 A H H > S+ 0 0 89 2,-0.2 4,-2.4 1,-0.2 3,-0.4 0.981 109.4 45.5 -62.3 -56.9 29.2 53.8 32.1 85 86 A L H > S+ 0 0 1 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.902 110.5 55.2 -53.2 -43.9 28.7 55.0 28.5 86 87 A L H X S+ 0 0 9 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.898 107.8 48.9 -57.9 -41.6 25.0 54.3 28.8 87 88 A I H X S+ 0 0 9 -4,-1.9 4,-2.5 -3,-0.4 -1,-0.2 0.952 111.8 49.0 -62.6 -48.0 24.8 56.5 31.9 88 89 A K H X S+ 0 0 21 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.827 106.8 56.5 -61.1 -34.3 26.6 59.3 30.1 89 90 A Q H < S+ 0 0 0 -4,-2.5 -1,-0.2 -5,-0.2 4,-0.2 0.946 113.9 38.7 -61.6 -49.7 24.3 59.0 27.1 90 91 A V H >X S+ 0 0 0 -4,-1.9 4,-2.8 1,-0.2 3,-1.1 0.825 111.0 59.9 -70.9 -32.9 21.2 59.6 29.3 91 92 A E H 3X S+ 0 0 46 -4,-2.5 4,-2.3 1,-0.3 -2,-0.2 0.934 102.4 52.3 -60.8 -46.7 23.0 62.2 31.4 92 93 A H H 3< S+ 0 0 2 -4,-2.2 -1,-0.3 1,-0.2 10,-0.2 0.545 113.4 46.2 -68.0 -6.2 23.7 64.4 28.4 93 94 A Y H <4 S+ 0 0 43 -3,-1.1 -2,-0.2 -4,-0.2 -1,-0.2 0.801 110.6 49.3 -98.0 -46.0 19.9 64.1 27.6 94 95 A L H < S+ 0 0 60 -4,-2.8 2,-0.9 1,-0.1 -2,-0.2 0.834 97.9 76.1 -64.5 -34.8 18.6 64.9 31.1 95 96 A D S X S- 0 0 63 -4,-2.3 4,-2.8 -5,-0.2 3,-0.5 -0.721 75.2-151.2 -84.5 110.2 20.9 67.9 31.5 96 97 A A H > S+ 0 0 78 -2,-0.9 4,-2.1 1,-0.2 -1,-0.2 0.819 93.8 49.7 -45.8 -44.1 19.2 70.7 29.4 97 98 A Q H > S+ 0 0 161 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.897 113.6 44.5 -66.8 -42.1 22.6 72.4 28.7 98 99 A K H > S+ 0 0 55 -3,-0.5 4,-1.7 2,-0.2 -2,-0.2 0.914 115.0 48.7 -68.4 -42.2 24.3 69.2 27.6 99 100 A R H X S+ 0 0 26 -4,-2.8 4,-3.0 1,-0.2 5,-0.2 0.872 107.9 55.3 -65.3 -38.3 21.4 68.2 25.5 100 101 A L H X S+ 0 0 28 -4,-2.1 4,-2.7 -5,-0.3 5,-0.2 0.927 104.9 52.5 -61.6 -46.3 21.1 71.6 23.9 101 102 A Y H X S+ 0 0 83 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.928 114.7 41.7 -56.5 -46.7 24.7 71.5 22.7 102 103 A L H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 5,-0.2 0.915 111.5 54.2 -68.9 -43.2 24.2 68.1 21.0 103 104 A A H X S+ 0 0 0 -4,-3.0 4,-1.6 96,-0.2 -2,-0.2 0.929 113.1 45.2 -55.9 -44.0 20.8 69.0 19.6 104 105 A K H X S+ 0 0 33 -4,-2.7 4,-3.0 1,-0.2 -1,-0.2 0.902 108.1 56.2 -66.1 -43.4 22.4 72.1 18.0 105 106 A S H X S+ 0 0 2 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.879 107.7 48.7 -57.6 -40.5 25.4 70.2 16.7 106 107 A F H X S+ 0 0 1 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.893 112.7 47.4 -68.1 -40.0 23.3 67.7 14.8 107 108 A V H X S+ 0 0 0 -4,-1.6 4,-2.9 -5,-0.2 5,-0.2 0.913 112.5 50.4 -66.3 -41.9 21.2 70.5 13.2 108 109 A I H X S+ 0 0 50 -4,-3.0 4,-2.9 1,-0.2 5,-0.3 0.901 108.7 51.5 -61.8 -42.3 24.4 72.3 12.3 109 110 A G H X S+ 0 0 0 -4,-2.4 4,-1.7 -5,-0.2 -1,-0.2 0.909 112.4 47.2 -61.2 -40.9 25.8 69.2 10.8 110 111 A S H X S+ 0 0 3 -4,-2.0 4,-2.1 2,-0.2 5,-0.2 0.932 114.4 44.7 -66.1 -48.3 22.7 68.9 8.7 111 112 A I H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.930 112.8 51.2 -64.2 -44.6 22.5 72.5 7.6 112 113 A L H X S+ 0 0 35 -4,-2.9 4,-1.6 1,-0.2 -1,-0.2 0.871 114.1 44.0 -61.5 -37.4 26.2 72.6 6.7 113 114 A N H X S+ 0 0 0 -4,-1.7 4,-1.6 -5,-0.3 -1,-0.2 0.823 112.5 50.3 -80.1 -28.2 26.0 69.5 4.6 114 115 A L H X S+ 0 0 2 -4,-2.1 4,-3.2 2,-0.2 5,-0.3 0.889 109.7 53.6 -71.1 -38.9 22.8 70.5 2.9 115 116 A E H X S+ 0 0 52 -4,-2.6 4,-1.8 -5,-0.2 5,-0.4 0.899 107.5 50.5 -60.9 -41.8 24.5 73.9 2.2 116 117 A Y H < S+ 0 0 54 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.879 116.4 41.2 -64.2 -39.7 27.5 72.0 0.6 117 118 A V H < S+ 0 0 16 -4,-1.6 -2,-0.2 1,-0.1 -1,-0.2 0.930 126.5 29.9 -74.5 -48.6 25.1 69.9 -1.6 118 119 A Y H < S- 0 0 5 -4,-3.2 -3,-0.2 2,-0.1 -2,-0.2 0.541 94.6-134.0 -91.3 -8.7 22.6 72.6 -2.7 119 120 A K < + 0 0 138 -4,-1.8 2,-0.4 -5,-0.3 -3,-0.1 0.904 54.2 144.0 54.4 46.8 25.0 75.6 -2.6 120 121 A I - 0 0 35 -5,-0.4 -1,-0.2 -6,-0.2 -2,-0.1 -0.970 57.7-106.6-116.9 130.5 22.5 77.7 -0.7 121 122 A S + 0 0 72 -2,-0.4 4,-0.1 1,-0.1 3,-0.1 -0.316 34.4 179.4 -58.0 127.9 23.7 80.2 1.9 122 123 A A > + 0 0 0 1,-0.1 4,-3.3 2,-0.1 3,-0.5 0.378 50.3 106.0-111.7 1.9 22.9 79.0 5.4 123 124 A D H > S+ 0 0 92 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.892 81.3 51.5 -48.0 -48.1 24.4 81.8 7.5 124 125 A T H > S+ 0 0 87 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.888 115.3 42.3 -58.1 -40.1 21.0 83.2 8.3 125 126 A Y H > S+ 0 0 33 -3,-0.5 4,-2.0 2,-0.2 -2,-0.2 0.884 112.1 52.3 -75.5 -40.6 19.9 79.8 9.5 126 127 A L H X S+ 0 0 37 -4,-3.3 4,-2.2 1,-0.2 -2,-0.2 0.866 107.2 55.6 -63.9 -34.3 23.1 79.0 11.4 127 128 A N H X S+ 0 0 97 -4,-2.4 4,-1.3 -5,-0.3 -1,-0.2 0.903 105.5 50.2 -65.3 -41.3 22.7 82.4 13.1 128 129 A K H X S+ 0 0 87 -4,-1.3 4,-1.4 2,-0.2 3,-0.4 0.918 109.8 51.4 -62.3 -42.5 19.3 81.4 14.4 129 130 A V H >< S+ 0 0 0 -4,-2.0 3,-0.5 1,-0.2 -2,-0.2 0.926 108.9 50.8 -59.5 -45.1 20.6 78.1 15.7 130 131 A K H 3< S+ 0 0 157 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.748 113.9 45.8 -65.4 -24.3 23.4 79.9 17.6 131 132 A E H 3< S+ 0 0 148 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.610 97.7 82.8 -97.1 -13.7 20.9 82.3 19.2 132 133 A T << - 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