==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 12-JUN-12 4FK5 . COMPND 2 MOLECULE: UBIQUITIN CARBOXYL-TERMINAL HYDROLASE 8; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR N.L.SAMARA,A.E.RINGEL,C.WOLBERGER . 712 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32615.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 489 68.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 103 14.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 43 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 242 34.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.4 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 2 3 2 4 1 1 2 0 2 0 2 2 0 0 2 0 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 4 2 8 1 2 1 1 1 1 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 1 0 2 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 -1 A A 0 0 159 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -17.1 25.3 4.0 48.3 2 0 A A - 0 0 94 1,-0.1 2,-0.3 571,-0.0 571,-0.1 -0.281 360.0-123.0 -69.8 135.0 23.2 7.2 49.1 3 1 A M - 0 0 64 569,-0.3 2,-0.2 566,-0.1 -1,-0.1 -0.566 33.0-147.5 -77.2 136.9 24.1 10.6 47.4 4 2 A S - 0 0 92 -2,-0.3 2,-0.3 1,-0.0 103,-0.1 -0.473 5.7-117.2-108.0 171.5 24.9 13.3 50.0 5 3 A I - 0 0 66 -2,-0.2 100,-0.1 1,-0.1 -1,-0.0 -0.764 43.8 -87.2-107.7 150.8 24.5 17.0 50.2 6 4 A C > - 0 0 11 -2,-0.3 4,-1.3 1,-0.2 5,-0.1 -0.416 37.1-151.6 -53.6 120.9 27.2 19.6 50.5 7 5 A P H > S+ 0 0 77 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.816 87.7 60.0 -70.2 -25.0 27.7 19.7 54.3 8 6 A H H > S+ 0 0 47 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.933 106.1 42.4 -71.1 -50.6 28.9 23.4 54.2 9 7 A I H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.835 112.1 57.7 -65.1 -32.8 25.8 24.9 52.7 10 8 A Q H < S+ 0 0 94 -4,-1.3 4,-0.2 2,-0.2 -2,-0.2 0.924 107.6 47.0 -59.8 -46.2 23.7 22.7 55.1 11 9 A Q H >< S+ 0 0 131 -4,-2.3 3,-2.1 1,-0.2 4,-0.5 0.959 111.1 50.8 -57.0 -51.7 25.5 24.2 58.1 12 10 A V H >< S+ 0 0 46 -4,-2.3 3,-1.6 1,-0.3 7,-0.3 0.908 106.1 57.5 -52.0 -44.3 25.0 27.7 56.7 13 11 A F T 3< S+ 0 0 30 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.446 83.4 81.2 -73.8 -1.0 21.3 26.9 56.3 14 12 A Q T < S+ 0 0 160 -3,-2.1 2,-0.6 -4,-0.2 -1,-0.3 0.808 87.4 65.5 -71.5 -27.5 20.9 26.0 60.0 15 13 A N S <> S- 0 0 83 -3,-1.6 4,-2.5 -4,-0.5 5,-0.1 -0.869 77.3-155.4 -92.9 122.6 20.6 29.8 60.5 16 14 A E H > S+ 0 0 123 -2,-0.6 4,-2.1 1,-0.2 -1,-0.1 0.799 93.6 52.0 -70.2 -31.8 17.4 31.1 58.8 17 15 A K H > S+ 0 0 180 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.868 112.8 46.6 -68.0 -39.0 18.8 34.7 58.3 18 16 A S H > S+ 0 0 54 -6,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.901 110.3 52.8 -64.4 -45.5 21.9 33.2 56.7 19 17 A K H X S+ 0 0 46 -4,-2.5 4,-2.5 -7,-0.3 5,-0.2 0.959 110.9 47.3 -55.0 -48.9 19.7 30.9 54.5 20 18 A D H X S+ 0 0 96 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.831 109.8 53.2 -64.2 -39.5 17.7 33.9 53.4 21 19 A G H X S+ 0 0 34 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.900 109.8 47.9 -56.8 -48.3 20.9 35.9 52.6 22 20 A V H X S+ 0 0 16 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.930 113.3 47.4 -58.9 -48.8 22.3 33.1 50.4 23 21 A L H X S+ 0 0 5 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.871 111.2 51.5 -64.9 -35.2 19.0 32.8 48.5 24 22 A K H X S+ 0 0 166 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.882 112.6 45.5 -64.0 -44.9 18.7 36.5 48.0 25 23 A T H X S+ 0 0 25 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.887 111.2 51.7 -68.8 -41.1 22.2 36.7 46.6 26 24 A C H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.912 112.5 47.0 -61.2 -43.5 21.7 33.7 44.4 27 25 A N H X S+ 0 0 48 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.897 112.7 50.0 -63.3 -39.0 18.5 35.3 43.0 28 26 A A H X S+ 0 0 25 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.909 110.4 48.5 -67.1 -42.9 20.4 38.6 42.6 29 27 A A H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.937 113.5 47.4 -64.1 -44.8 23.3 37.0 40.7 30 28 A R H X S+ 0 0 47 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.883 110.3 52.9 -65.5 -39.0 20.9 35.1 38.4 31 29 A Y H X S+ 0 0 83 -4,-2.4 4,-0.6 1,-0.2 -1,-0.2 0.928 108.9 48.9 -58.3 -49.7 18.9 38.2 37.7 32 30 A I H >< S+ 0 0 1 -4,-2.3 3,-1.0 1,-0.2 -1,-0.2 0.892 108.4 53.7 -59.6 -42.7 21.9 40.2 36.7 33 31 A L H 3< S+ 0 0 10 -4,-2.0 3,-0.5 1,-0.2 -1,-0.2 0.837 112.7 44.5 -65.0 -33.0 23.1 37.4 34.4 34 32 A N H 3< S+ 0 0 78 -4,-1.7 636,-2.7 1,-0.2 -1,-0.2 0.471 117.5 45.4 -84.4 -2.8 19.7 37.5 32.6 35 33 A H S << S+ 0 0 29 -3,-1.0 2,-0.4 -4,-0.6 632,-0.3 -0.084 88.3 97.4-135.3 33.5 19.6 41.3 32.5 36 34 A S S S- 0 0 6 -3,-0.5 628,-0.0 634,-0.1 634,-0.0 -0.990 71.4-123.4-122.9 133.9 23.1 42.3 31.3 37 35 A V > - 0 0 53 -2,-0.4 4,-2.5 1,-0.1 3,-0.4 -0.266 39.7 -97.4 -70.5 159.3 23.8 43.0 27.6 38 36 A P H > S+ 0 0 45 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.893 121.0 49.3 -56.5 -38.2 26.6 40.9 26.2 39 37 A K H > S+ 0 0 88 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.875 114.0 45.3 -63.9 -44.5 29.5 43.4 26.7 40 38 A E H > S+ 0 0 50 -3,-0.4 4,-2.3 2,-0.2 5,-0.4 0.871 110.7 54.4 -63.9 -43.7 28.6 44.1 30.3 41 39 A K H X>S+ 0 0 22 -4,-2.5 4,-1.9 3,-0.2 5,-0.7 0.935 111.9 43.5 -60.2 -45.3 28.2 40.5 30.9 42 40 A F H X5S+ 0 0 23 -4,-2.5 4,-0.9 -5,-0.2 -2,-0.2 0.938 121.0 40.0 -62.0 -48.6 31.8 39.8 29.6 43 41 A L H <5S+ 0 0 32 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.759 126.3 32.2 -78.2 -22.4 33.4 42.7 31.4 44 42 A N H <5S+ 0 0 58 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.666 132.2 21.2-116.8 -12.5 31.6 42.5 34.7 45 43 A T H <5S+ 0 0 0 -4,-1.9 46,-0.3 -5,-0.4 -3,-0.2 0.493 125.2 44.2-128.0 -11.0 30.9 38.8 35.2 46 44 A M S < - 0 0 0 5,-2.4 4,-1.7 -2,-0.5 21,-0.2 -0.502 7.3-146.4 -70.1 128.6 38.8 37.5 36.6 49 47 A G T 4 S+ 0 0 7 19,-3.3 604,-2.4 -2,-0.3 -1,-0.1 0.715 97.2 42.9 -65.7 -18.3 39.6 40.1 39.3 50 48 A T T 4 S+ 0 0 53 18,-0.3 -1,-0.1 602,-0.2 19,-0.1 0.923 131.7 16.8 -93.1 -57.7 43.1 38.6 39.8 51 49 A C T 4 S- 0 0 30 2,-0.1 -2,-0.2 5,-0.0 398,-0.2 0.542 89.5-137.3 -93.1 -11.8 44.4 38.0 36.2 52 50 A H < + 0 0 14 -4,-1.7 2,-0.2 1,-0.2 -3,-0.1 0.640 52.3 145.3 65.6 10.4 41.8 40.3 34.4 53 51 A E - 0 0 23 -6,-0.1 -5,-2.4 399,-0.1 2,-0.5 -0.582 49.2-126.7 -75.8 150.5 41.4 37.6 31.6 54 52 A I B S-A 47 0A 0 1,-0.2 -7,-0.2 -7,-0.2 3,-0.2 -0.803 87.8 -0.8 -92.5 133.6 38.0 37.1 30.0 55 53 A N + 0 0 7 -9,-2.4 2,-1.8 -2,-0.5 500,-0.3 0.912 69.3 168.6 57.3 43.7 36.7 33.6 30.0 56 54 A S S S- 0 0 0 -3,-0.5 16,-2.5 -10,-0.3 15,-1.0 -0.573 78.8 -61.7 -79.2 70.3 39.7 32.0 31.8 57 55 A G S S- 0 0 0 -2,-1.8 498,-0.2 494,-0.4 -1,-0.2 -0.252 111.0 -12.1 61.8-169.2 37.5 29.0 32.1 58 56 A A - 0 0 1 496,-0.2 13,-1.7 -3,-0.1 2,-0.4 -0.223 69.8-143.2 -44.2 142.5 34.3 29.6 34.1 59 57 A T E -B 70 0B 0 11,-0.2 32,-2.8 -14,-0.1 2,-0.5 -0.932 13.5-148.0-113.6 132.7 34.3 32.8 36.1 60 58 A F E -BC 69 90B 0 9,-2.5 9,-1.9 -2,-0.4 2,-0.6 -0.883 5.4-143.7-108.3 138.5 32.6 32.7 39.5 61 59 A M E -BC 68 89B 0 28,-3.0 28,-2.7 -2,-0.5 7,-0.2 -0.848 30.8-120.5 -99.4 118.3 30.7 35.5 41.2 62 60 A C E - C 0 88B 0 5,-2.7 26,-0.2 -2,-0.6 595,-0.1 -0.340 9.2-148.0 -62.9 138.3 31.4 35.4 45.0 63 61 A L S S+ 0 0 9 24,-2.2 -1,-0.1 1,-0.2 25,-0.1 0.848 96.9 40.1 -67.1 -31.4 28.3 35.0 47.3 64 62 A Q S S+ 0 0 105 23,-0.4 2,-0.2 3,-0.1 -1,-0.2 0.642 124.5 11.6-103.7 -16.0 29.9 37.0 50.1 65 63 A C S S- 0 0 37 2,-0.2 592,-0.1 20,-0.0 591,-0.1 -0.841 82.7 -94.6-147.6-177.9 31.6 39.9 48.3 66 64 A G S S+ 0 0 13 -2,-0.2 591,-2.1 591,-0.1 2,-0.1 0.370 76.2 125.4 -87.8 5.4 31.8 41.4 44.8 67 65 A F - 0 0 33 589,-0.2 -5,-2.7 -6,-0.1 2,-0.4 -0.376 42.6-161.2 -67.3 142.1 34.8 39.5 43.6 68 66 A C E -B 61 0B 10 -7,-0.2 -19,-3.3 -21,-0.1 2,-0.3 -0.981 14.4-176.6-117.1 139.5 34.8 37.5 40.4 69 67 A G E -B 60 0B 0 -9,-1.9 -9,-2.5 -2,-0.4 7,-0.1 -0.992 18.4-120.6-142.6 141.6 37.5 34.8 39.9 70 68 A C E > -B 59 0B 1 -2,-0.3 6,-2.0 -11,-0.2 5,-0.8 -0.272 3.5-145.2 -79.1 162.8 38.5 32.3 37.2 71 69 A W T > 5S+ 0 0 53 -13,-1.7 3,-2.5 -15,-1.0 -14,-0.2 0.883 90.0 62.2 -81.7 -50.4 38.8 28.6 37.1 72 70 A N T 3 5S+ 0 0 47 -16,-2.5 -15,-0.1 1,-0.3 -1,-0.1 0.781 114.3 32.4 -66.4 -31.0 41.8 28.0 34.8 73 71 A H T 3 5S- 0 0 86 -17,-0.4 -1,-0.3 -16,-0.0 -2,-0.1 0.069 111.6-118.1-101.9 19.1 44.4 29.8 37.0 74 72 A S T <>5 + 0 0 63 -3,-2.5 4,-1.9 1,-0.1 -3,-0.2 0.805 64.3 147.3 47.5 43.0 42.5 28.7 40.1 75 73 A H H >< + 0 0 41 -5,-0.8 4,-1.4 2,-0.2 -4,-0.2 0.822 67.3 47.5 -82.1 -29.2 41.9 32.3 41.1 76 74 A F H > S+ 0 0 0 -6,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.881 109.0 55.8 -69.7 -40.0 38.5 31.8 42.8 77 75 A L H > S+ 0 0 41 -7,-0.4 4,-1.8 1,-0.2 -2,-0.2 0.963 106.7 50.6 -56.1 -46.3 40.0 28.9 44.7 78 76 A S H X S+ 0 0 49 -4,-1.9 4,-3.0 1,-0.2 5,-0.3 0.883 109.1 52.8 -55.4 -40.0 42.7 31.2 46.0 79 77 A H H X>S+ 0 0 14 -4,-1.4 4,-2.6 1,-0.2 6,-0.7 0.906 107.0 50.6 -63.4 -42.2 40.0 33.7 47.1 80 78 A S H X5S+ 0 0 10 -4,-2.3 4,-0.9 4,-0.2 -1,-0.2 0.872 117.0 41.5 -63.7 -33.9 38.1 31.0 49.0 81 79 A K H <5S+ 0 0 152 -4,-1.8 -2,-0.2 -5,-0.2 -3,-0.2 0.963 119.8 41.3 -78.7 -53.4 41.4 30.1 50.8 82 80 A Q H <5S+ 0 0 147 -4,-3.0 -3,-0.2 1,-0.2 -2,-0.2 0.934 132.7 21.8 -55.4 -54.7 42.7 33.6 51.4 83 81 A I H <5S- 0 0 101 -4,-2.6 -3,-0.2 -5,-0.3 -1,-0.2 0.587 100.2-119.8-101.3 -12.6 39.4 35.2 52.4 84 82 A G << + 0 0 46 -4,-0.9 2,-0.9 -5,-0.6 -4,-0.2 0.569 65.7 136.8 81.4 11.6 37.3 32.2 53.5 85 83 A H + 0 0 30 -6,-0.7 -1,-0.2 1,-0.1 -2,-0.1 -0.802 22.4 172.1 -93.3 103.6 34.5 32.6 50.9 86 84 A I + 0 0 19 -2,-0.9 13,-3.3 -3,-0.1 2,-0.4 0.365 49.1 77.1 -99.4 0.4 33.9 29.2 49.7 87 85 A F E + D 0 98B 10 11,-0.2 -24,-2.2 12,-0.1 -23,-0.4 -0.955 49.9 164.1-116.5 131.7 30.7 29.7 47.5 88 86 A G E -CD 62 97B 0 9,-1.7 9,-3.1 -2,-0.4 2,-0.5 -0.992 30.4-128.4-144.5 153.8 30.6 31.2 44.0 89 87 A I E -CD 61 96B 0 -28,-2.7 -28,-3.0 -2,-0.3 2,-0.4 -0.887 24.9-125.9-106.0 124.0 28.1 31.4 41.1 90 88 A N E >> -C 60 0B 0 5,-2.6 4,-2.4 -2,-0.5 3,-1.1 -0.579 15.7-146.4 -68.0 124.4 29.2 30.4 37.6 91 89 A S T 34 S+ 0 0 0 -32,-2.8 -1,-0.1 -2,-0.4 -31,-0.1 0.632 92.3 59.8 -81.2 -6.4 28.4 33.3 35.4 92 90 A N T 34 S+ 0 0 19 -33,-0.3 -1,-0.3 3,-0.1 580,-0.1 0.716 127.6 6.2 -79.7 -25.4 27.6 31.1 32.3 93 91 A N T <4 S- 0 0 30 -3,-1.1 -2,-0.2 2,-0.1 -1,-0.1 0.461 90.2-116.3-145.5 -0.3 24.8 29.2 34.0 94 92 A G < + 0 0 4 -4,-2.4 2,-0.2 1,-0.2 -3,-0.1 0.578 62.1 148.9 71.1 9.6 23.9 30.5 37.5 95 93 A L - 0 0 22 -5,-0.4 -5,-2.6 1,-0.1 2,-0.5 -0.517 46.2-124.2 -84.9 147.7 25.0 27.3 39.2 96 94 A L E -D 89 0B 1 9,-0.5 9,-3.1 -7,-0.2 2,-0.4 -0.806 23.5-160.8 -99.3 121.9 26.4 27.4 42.8 97 95 A F E -DE 88 104B 1 -9,-3.1 -9,-1.7 -2,-0.5 2,-0.7 -0.854 11.0-149.0-105.8 133.5 29.9 25.9 43.4 98 96 A C E >> -DE 87 103B 0 5,-3.0 5,-1.4 -2,-0.4 4,-1.3 -0.925 5.9-162.7 -94.9 113.6 31.3 24.8 46.8 99 97 A F T 45S+ 0 0 13 -13,-3.3 -12,-0.1 -2,-0.7 -1,-0.1 0.621 88.9 54.7 -79.2 -7.2 35.0 25.3 46.6 100 98 A K T 45S+ 0 0 139 -14,-0.4 -1,-0.2 1,-0.1 -13,-0.1 0.906 115.7 37.3 -83.5 -44.4 35.6 23.0 49.7 101 99 A C T 45S- 0 0 40 2,-0.2 -2,-0.2 1,-0.0 -1,-0.1 0.651 101.6-138.7 -72.1 -19.4 33.6 20.1 48.1 102 100 A E T <5S+ 0 0 79 -4,-1.3 396,-1.3 1,-0.2 2,-0.3 0.871 71.0 95.2 55.4 39.9 35.1 21.0 44.7 103 101 A D E > - 0 0 27 1,-0.1 4,-2.3 -3,-0.1 3,-0.6 -0.931 57.0-156.9-108.0 113.0 19.0 21.1 46.8 109 107 A D H 3> S+ 0 0 40 -2,-0.6 4,-2.6 1,-0.2 -1,-0.1 0.862 89.9 59.3 -58.5 -38.9 15.5 22.0 45.4 110 108 A L H 34 S+ 0 0 15 2,-0.2 -1,-0.2 1,-0.2 6,-0.2 0.876 108.9 42.6 -56.4 -46.1 15.4 25.3 47.3 111 109 A I H X4 S+ 0 0 1 -3,-0.6 3,-1.4 1,-0.2 -2,-0.2 0.934 116.8 47.6 -68.7 -45.8 18.5 26.6 45.6 112 110 A N H 3< S+ 0 0 37 -4,-2.3 -2,-0.2 1,-0.3 3,-0.2 0.838 122.1 36.8 -58.3 -36.4 17.4 25.3 42.2 113 111 A D T >< S+ 0 0 7 -4,-2.6 3,-2.6 -5,-0.2 -1,-0.3 -0.159 78.7 143.2-110.6 32.1 14.0 26.8 42.7 114 112 A A G X + 0 0 2 -3,-1.4 3,-1.7 1,-0.3 4,-0.2 0.643 56.0 73.3 -52.8 -25.5 15.3 29.9 44.5 115 113 A I G 3 S+ 0 0 109 1,-0.3 -1,-0.3 -3,-0.2 3,-0.2 0.670 98.4 50.4 -66.0 -14.2 12.7 32.3 43.0 116 114 A L G X S+ 0 0 13 -3,-2.6 3,-2.4 -6,-0.2 4,-0.3 0.160 73.6 118.5-104.0 14.8 10.1 30.6 45.3 117 115 A A G X S+ 0 0 30 -3,-1.7 3,-1.1 1,-0.3 4,-0.2 0.836 72.5 55.2 -51.0 -38.6 12.3 31.0 48.5 118 116 A K G 3 S+ 0 0 180 1,-0.3 -1,-0.3 -3,-0.2 3,-0.1 0.670 117.1 35.9 -73.5 -14.0 9.7 33.2 50.1 119 117 A 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462 23 B E H > S+ 0 0 37 -7,-0.3 4,-2.5 -6,-0.2 5,-0.3 0.903 109.1 50.8 -52.3 -46.4 30.9 38.7 20.7 463 24 B L H X S+ 0 0 99 -4,-1.1 4,-2.2 1,-0.2 -2,-0.2 0.950 113.8 43.4 -59.7 -43.8 31.3 38.0 17.0 464 25 B I H X S+ 0 0 3 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.911 114.0 50.0 -69.1 -47.7 34.0 35.4 17.6 465 26 B S H X S+ 0 0 6 -4,-3.2 4,-2.2 1,-0.2 -1,-0.2 0.934 114.5 43.5 -59.1 -45.9 32.2 33.8 20.5 466 27 B N H X S+ 0 0 22 -4,-2.5 4,-2.5 -5,-0.2 -1,-0.2 0.846 112.3 53.2 -68.2 -37.3 28.9 33.4 18.6 467 28 B E H X S+ 0 0 42 -4,-2.2 4,-2.3 -5,-0.3 -2,-0.2 0.937 111.5 46.2 -64.5 -43.8 30.6 32.2 15.5 468 29 B L H X S+ 0 0 4 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.904 113.4 48.3 -62.6 -48.0 32.4 29.5 17.4 469 30 B K H X S+ 0 0 36 -4,-2.2 4,-2.4 -5,-0.2 5,-0.2 0.906 110.8 50.9 -58.9 -43.9 29.3 28.4 19.3 470 31 B A H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.927 113.6 45.9 -62.3 -42.8 27.2 28.3 16.0 471 32 B R H X S+ 0 0 77 -4,-2.3 4,-2.1 2,-0.2 6,-0.2 0.929 113.6 47.2 -65.1 -46.0 29.9 26.1 14.3 472 33 B L H <>S+ 0 0 0 -4,-2.4 5,-1.6 1,-0.2 6,-1.1 0.870 113.5 49.0 -64.9 -38.2 30.3 23.8 17.3 473 34 B L H ><5S+ 0 0 4 -4,-2.4 3,-1.2 -5,-0.2 6,-0.2 0.955 112.4 46.6 -65.2 -48.6 26.6 23.4 17.6 474 35 B Q H 3<5S+ 0 0 66 -4,-2.3 -109,-0.2 1,-0.3 -2,-0.2 0.804 109.3 52.7 -69.4 -31.3 26.0 22.6 13.9 475 36 B E T 3<5S- 0 0 70 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.501 117.2-113.4 -81.2 -4.9 28.8 20.1 13.6 476 37 B G T <>5S+ 0 0 14 -3,-1.2 4,-1.9 -4,-0.3 -3,-0.2 0.515 79.5 126.7 89.6 7.0 27.4 18.2 16.6 477 38 B W H >< + 0 0 5 -5,-1.6 4,-2.3 -6,-0.2 5,-0.2 0.864 67.5 58.4 -67.6 -36.8 30.2 18.9 19.1 478 39 B V H > S+ 0 0 13 -6,-1.1 4,-2.0 1,-0.2 -1,-0.2 0.956 111.3 41.7 -57.7 -47.1 28.0 20.3 21.8 479 40 B D H > S+ 0 0 26 1,-0.2 4,-2.3 -6,-0.2 -1,-0.2 0.841 111.2 56.2 -74.9 -29.1 25.9 17.1 21.9 480 41 B K H X S+ 0 0 115 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.866 107.2 50.0 -63.9 -39.6 29.1 14.9 21.7 481 42 B V H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.903 109.3 51.0 -70.6 -35.7 30.5 16.7 24.8 482 43 B K H X S+ 0 0 22 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.927 112.4 46.9 -65.0 -46.1 27.2 16.1 26.6 483 44 B D H X S+ 0 0 90 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.940 111.1 51.3 -55.4 -51.4 27.4 12.3 25.7 484 45 B L H X S+ 0 0 29 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.892 109.6 52.0 -55.5 -37.8 31.0 12.1 26.7 485 46 B T H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.945 110.3 45.8 -69.9 -43.4 30.1 13.7 30.0 486 47 B K H X S+ 0 0 59 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.916 113.2 51.1 -63.8 -40.5 27.4 11.3 30.8 487 48 B S H X S+ 0 0 54 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.898 109.3 50.0 -67.3 -39.2 29.5 8.4 29.8 488 49 B E H X S+ 0 0 12 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.855 106.7 54.9 -70.4 -33.0 32.3 9.6 32.0 489 50 B M H X>S+ 0 0 2 -4,-2.3 5,-1.5 2,-0.2 4,-0.5 0.896 111.7 44.8 -60.1 -45.0 30.0 9.9 35.0 490 51 B N H ><5S+ 0 0 104 -4,-2.0 3,-0.8 3,-0.2 -2,-0.2 0.951 112.5 52.2 -65.3 -46.0 28.9 6.3 34.5 491 52 B I H 3<5S+ 0 0 107 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.891 120.8 30.7 -53.0 -50.0 32.5 5.1 34.0 492 53 B N H 3<5S- 0 0 55 -4,-2.3 -1,-0.3 2,-0.2 -2,-0.2 0.321 102.0-129.7 -95.8 2.2 33.9 6.8 37.2 493 54 B E T <<5 + 0 0 171 -3,-0.8 2,-0.3 -4,-0.5 -3,-0.2 0.891 69.4 112.5 44.2 57.0 30.6 6.4 39.2 494 55 B S < - 0 0 19 -5,-1.5 -2,-0.2 -6,-0.2 -1,-0.2 -0.991 55.7-168.1-153.7 146.7 30.7 10.0 40.1 495 56 B T + 0 0 5 -2,-0.3 2,-0.4 -3,-0.1 74,-0.2 0.179 50.1 134.1-111.1 7.6 29.0 13.3 39.5 496 57 B N > - 0 0 41 1,-0.2 4,-2.9 -393,-0.1 5,-0.2 -0.456 50.9-147.0 -64.6 117.6 31.9 15.3 41.2 497 58 B F H > S+ 0 0 1 -2,-0.4 4,-3.2 1,-0.2 5,-0.3 0.895 92.3 50.5 -55.9 -47.2 32.5 18.2 38.8 498 59 B T H > S+ 0 0 41 -396,-1.3 4,-1.6 1,-0.2 -1,-0.2 0.906 115.1 43.3 -61.3 -43.3 36.3 18.5 39.4 499 60 B Q H > S+ 0 0 80 -397,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.939 116.4 46.5 -67.3 -47.3 36.8 14.8 38.8 500 61 B I H >X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 3,-1.0 0.942 110.2 53.2 -64.9 -44.3 34.5 14.6 35.8 501 62 B L H 3X S+ 0 0 8 -4,-3.2 4,-2.7 1,-0.2 -1,-0.2 0.911 101.5 59.8 -57.4 -42.2 36.0 17.8 34.1 502 63 B S H 3< S+ 0 0 80 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.791 113.1 38.2 -61.5 -24.6 39.5 16.4 34.3 503 64 B T H S+ 0 0 64 0, 0.0 4,-1.5 0, 0.0 -1,-0.3 0.917 116.3 44.0 -55.7 -42.9 41.1 17.1 27.3 507 68 B K H X S+ 0 0 98 -4,-0.7 4,-1.3 -3,-0.3 -2,-0.2 0.894 111.8 52.0 -69.8 -39.1 39.0 14.9 25.1 508 69 B A H X S+ 0 0 0 -4,-2.7 4,-0.5 1,-0.2 3,-0.3 0.892 106.1 55.1 -67.4 -38.9 36.4 17.6 24.2 509 70 B L H >< S+ 0 0 46 -4,-2.6 3,-0.9 -5,-0.2 -1,-0.2 0.916 110.2 46.4 -55.0 -44.5 39.3 19.9 23.2 510 71 B E H 3< S+ 0 0 150 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.709 102.0 65.7 -74.0 -21.1 40.5 17.3 20.7 511 72 B M H 3< S+ 0 0 72 -4,-1.3 -1,-0.2 -3,-0.3 2,-0.2 0.611 72.9 110.4 -78.6 -13.6 37.0 16.6 19.4 512 73 B V S << S- 0 0 5 -3,-0.9 -40,-0.0 -4,-0.5 -3,-0.0 -0.483 79.0-112.2 -59.7 128.2 36.8 20.1 17.9 513 74 B S > - 0 0 38 -2,-0.2 4,-2.7 1,-0.1 5,-0.2 -0.245 13.8-122.1 -61.5 152.7 36.9 19.7 14.1 514 75 B D H > S+ 0 0 109 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.871 112.4 54.5 -59.5 -42.3 39.9 20.9 12.2 515 76 B S H > S+ 0 0 67 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.938 112.3 41.6 -58.9 -51.8 37.7 23.2 10.1 516 77 B T H > S+ 0 0 3 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.948 116.3 50.3 -61.9 -47.8 36.2 24.9 13.1 517 78 B R H X S+ 0 0 74 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.944 116.9 37.7 -57.1 -54.4 39.5 25.2 14.9 518 79 B E H X S+ 0 0 118 -4,-2.8 4,-2.1 -5,-0.2 -1,-0.2 0.887 115.6 53.4 -77.5 -27.3 41.5 26.6 12.0 519 80 B T H X S+ 0 0 33 -4,-2.5 4,-2.3 -5,-0.3 -2,-0.2 0.972 113.3 42.3 -65.1 -48.5 38.6 28.9 10.8 520 81 B V H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.905 112.7 53.6 -71.9 -34.3 38.1 30.5 14.2 521 82 B L H X S+ 0 0 10 -4,-2.3 4,-2.7 -5,-0.3 -1,-0.2 0.904 109.5 48.9 -61.2 -43.2 41.8 30.8 14.8 522 83 B K H X S+ 0 0 91 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.912 110.5 50.8 -61.4 -42.3 42.2 32.7 11.4 523 84 B Q H X S+ 0 0 36 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.923 114.0 44.2 -66.7 -36.7 39.3 35.0 12.3 524 85 B I H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.948 111.5 53.1 -65.7 -49.2 40.9 35.8 15.7 525 86 B R H X S+ 0 0 64 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.889 106.2 53.6 -56.3 -44.4 44.3 36.2 14.2 526 87 B E H X S+ 0 0 93 -4,-2.3 4,-0.9 1,-0.2 -1,-0.2 0.884 108.5 49.5 -61.0 -39.9 42.9 38.8 11.6 527 88 B F H >< S+ 0 0 47 -4,-1.5 3,-0.7 -3,-0.2 4,-0.5 0.934 111.4 49.2 -66.7 -38.6 41.4 40.9 14.3 528 89 B L H >X S+ 0 0 0 -4,-2.5 3,-1.8 1,-0.2 4,-1.6 0.902 100.6 64.2 -70.5 -35.2 44.7 40.9 16.2 529 90 B E H 3< S+ 0 0 125 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.819 99.3 56.9 -52.8 -33.3 46.7 41.9 13.0 530 91 B E T << S+ 0 0 125 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.699 117.8 29.0 -70.3 -23.8 44.8 45.2 13.1 531 92 B I T <4 S+ 0 0 3 -3,-1.8 106,-3.2 -4,-0.5 2,-0.4 0.466 104.1 74.1-122.0 -6.3 45.9 46.1 16.7 532 93 B V E < -W 636 0I 7 -4,-1.6 2,-0.4 104,-0.3 104,-0.3 -0.900 61.3-141.8-115.3 143.1 49.4 44.5 17.4 533 94 B D E -W 635 0I 50 102,-3.3 101,-3.1 -2,-0.4 102,-1.3 -0.836 21.6-163.2 -94.2 140.3 52.9 45.5 16.1 534 95 B T E W 633 0I 71 -2,-0.4 99,-0.2 99,-0.3 6,-0.0 -0.648 360.0 360.0-115.7 174.6 55.2 42.7 15.3 535 96 B Q 0 0 155 97,-1.8 97,-0.8 -2,-0.2 0, 0.0 -0.940 360.0 360.0-154.3 360.0 59.0 42.6 14.8 536 !* 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 0.0 537 4 C E 0 0 224 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -45.9 58.6 31.4 25.7 538 5 C T - 0 0 73 1,-0.1 2,-0.4 94,-0.0 5,-0.1 -0.643 360.0-141.7 -97.2 119.8 58.0 33.6 22.7 539 6 C I + 0 0 59 -2,-0.5 94,-2.7 94,-0.1 2,-0.3 -0.571 30.5 164.8 -87.2 121.1 54.7 35.5 22.3 540 7 C T B > -X 632 0J 19 -2,-0.4 4,-2.4 92,-0.3 5,-0.3 -0.857 53.5-101.4-126.1 167.4 53.3 35.7 18.7 541 8 C I H > S+ 0 0 16 90,-1.1 4,-2.6 -2,-0.3 5,-0.2 0.905 124.8 51.0 -53.3 -39.3 50.0 36.5 17.0 542 9 C D H > S+ 0 0 46 89,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.885 109.0 47.5 -69.4 -39.5 49.5 32.8 16.7 543 10 C S H > S+ 0 0 52 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.911 114.6 46.3 -71.5 -37.5 50.2 31.9 20.4 544 11 C I H X S+ 0 0 14 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.947 111.6 52.4 -67.2 -47.7 47.9 34.7 21.7 545 12 C S H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.3 -2,-0.2 0.909 110.5 48.0 -51.9 -45.7 45.2 33.6 19.2 546 13 C N H X S+ 0 0 76 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.843 109.2 52.8 -63.8 -40.0 45.4 30.1 20.5 547 14 C G H X S+ 0 0 18 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.932 110.0 49.9 -58.0 -45.0 45.2 31.4 24.1 548 15 C I H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.949 112.0 46.6 -61.3 -44.6 42.0 33.2 23.2 549 16 C L H X S+ 0 0 8 -4,-2.5 4,-3.1 1,-0.2 -1,-0.2 0.906 110.1 53.3 -64.3 -41.7 40.5 30.2 21.6 550 17 C N H X S+ 0 0 62 -4,-2.4 4,-2.6 2,-0.2 5,-0.4 0.888 107.4 52.0 -64.6 -37.4 41.5 28.0 24.5 551 18 C N H X S+ 0 0 4 -4,-2.4 4,-2.1 2,-0.2 -494,-0.4 0.983 113.2 44.5 -56.8 -52.4 39.7 30.5 26.8 552 19 C L H X S+ 0 0 9 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.916 117.0 45.1 -59.6 -46.4 36.6 30.3 24.7 553 20 C L H X S+ 0 0 13 -4,-3.1 4,-2.6 2,-0.2 5,-0.2 0.936 112.7 46.8 -67.3 -49.4 36.7 26.5 24.4 554 21 C T H X S+ 0 0 3 -4,-2.6 4,-3.0 1,-0.2 -496,-0.2 0.908 112.4 53.6 -63.1 -37.7 37.5 25.6 28.1 555 22 C T H X S+ 0 0 5 -4,-2.1 4,-2.1 -5,-0.4 -1,-0.2 0.935 110.8 44.8 -56.2 -49.4 34.8 28.0 29.3 556 23 C 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