==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-AUG-12 4GIL . COMPND 2 MOLECULE: PSEUDOURIDINE-5'-PHOSPHATE GLYCOSIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.HUANG,N.MAHANTA,T.P.BEGLEY,S.E.EALICK . 918 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30817.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 709 77.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 105 11.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 4.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 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 0.1 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 . 72 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 77 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 365 39.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 29 3.2 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 6 0 3 0 6 0 7 2 3 3 0 2 1 2 1 0 0 0 0 0 0 0 2 1 0 0 0 RESIDUES PER ALPHA HELIX . 4 1 16 6 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 . 12 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 3 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 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 5 A K 0 0 159 0, 0.0 117,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 33.3 35.2 -17.6 -26.3 2 6 A I - 0 0 41 116,-0.1 832,-0.1 1,-0.1 831,-0.0 -0.160 360.0-105.8 -62.0 149.4 33.3 -15.0 -28.3 3 7 A S >> - 0 0 51 1,-0.1 3,-2.5 5,-0.0 4,-2.0 -0.480 22.3-119.7 -77.5 147.6 35.1 -12.1 -30.1 4 8 A P T 34 S+ 0 0 98 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.637 113.0 69.7 -60.7 -16.2 35.0 -8.6 -28.8 5 9 A E T 34 S+ 0 0 76 1,-0.1 3,-0.1 62,-0.1 -2,-0.0 0.634 113.3 30.1 -73.3 -13.0 33.4 -7.5 -32.0 6 10 A L T <4 S+ 0 0 25 -3,-2.5 62,-4.1 1,-0.3 2,-0.5 0.807 127.0 28.3-106.6 -59.9 30.4 -9.5 -30.7 7 11 A L E < -a 68 0A 24 -4,-2.0 2,-0.5 60,-0.2 -1,-0.3 -0.949 59.3-178.3-116.4 128.0 30.4 -9.4 -26.9 8 12 A Q E -a 69 0A 98 60,-2.7 62,-2.2 -2,-0.5 2,-0.5 -0.961 8.4-162.6-128.2 114.0 31.8 -6.5 -24.8 9 13 A I E -a 70 0A 38 -2,-0.5 62,-0.2 60,-0.2 60,-0.1 -0.837 26.2-118.2 -98.8 127.7 31.7 -6.6 -21.0 10 14 A S > - 0 0 29 60,-3.0 4,-2.6 -2,-0.5 3,-0.3 -0.268 22.6-114.8 -66.9 149.7 32.2 -3.3 -19.2 11 15 A P H > S+ 0 0 104 0, 0.0 4,-2.5 0, 0.0 5,-0.3 0.815 114.9 56.7 -58.7 -37.4 35.2 -2.9 -16.9 12 16 A E H > S+ 0 0 77 2,-0.2 4,-2.6 1,-0.2 5,-0.1 0.965 112.9 42.1 -53.6 -51.5 33.1 -2.6 -13.8 13 17 A V H > S+ 0 0 0 -3,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.907 113.3 51.5 -66.5 -42.7 31.5 -6.0 -14.6 14 18 A Q H X S+ 0 0 111 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.903 112.3 46.5 -58.7 -43.6 34.8 -7.6 -15.6 15 19 A D H X S+ 0 0 46 -4,-2.5 4,-3.0 1,-0.2 6,-0.2 0.943 109.3 55.9 -64.4 -46.3 36.4 -6.5 -12.4 16 20 A A H <>S+ 0 0 3 -4,-2.6 5,-2.8 -5,-0.3 -2,-0.2 0.884 110.8 44.0 -48.8 -46.8 33.4 -7.7 -10.5 17 21 A L H ><5S+ 0 0 54 -4,-2.3 3,-0.8 3,-0.2 -1,-0.2 0.901 112.9 50.2 -72.9 -42.3 33.8 -11.2 -12.0 18 22 A K H 3<5S+ 0 0 74 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.970 116.7 41.1 -53.3 -54.4 37.5 -11.4 -11.5 19 23 A N T 3<5S- 0 0 120 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.297 112.9-122.2 -84.6 7.1 37.2 -10.3 -7.8 20 24 A K T < 5 + 0 0 96 -3,-0.8 -3,-0.2 -5,-0.2 -4,-0.1 0.806 53.3 160.4 57.7 34.9 34.2 -12.6 -7.5 21 25 A K < - 0 0 48 -5,-2.8 -1,-0.2 -6,-0.2 2,-0.2 -0.614 51.3 -93.7 -77.4 146.0 31.9 -9.8 -6.4 22 26 A P - 0 0 24 0, 0.0 35,-2.2 0, 0.0 2,-0.4 -0.445 43.6-158.4 -69.8 136.0 28.2 -10.6 -6.9 23 27 A V E -e 57 0B 10 33,-0.2 100,-0.5 -2,-0.2 2,-0.5 -0.936 9.5-161.5-118.6 136.1 26.7 -9.5 -10.2 24 28 A V E -ef 58 123B 0 33,-2.5 35,-2.5 -2,-0.4 100,-0.2 -0.958 14.5-145.5-114.2 120.4 23.0 -8.9 -11.1 25 29 A A E -ef 59 124B 0 98,-3.1 100,-2.7 -2,-0.5 2,-0.3 -0.520 13.8-163.8 -79.6 151.4 22.1 -8.8 -14.8 26 30 A L E -ef 60 125B 15 33,-2.2 35,-2.5 98,-0.2 2,-0.2 -0.962 12.1-125.9-132.8 155.6 19.3 -6.5 -16.1 27 31 A E - 0 0 9 98,-0.6 4,-0.2 -2,-0.3 81,-0.1 -0.619 0.2-150.0-103.7 152.8 17.3 -6.4 -19.4 28 32 A S S > S+ 0 0 0 79,-0.4 4,-1.9 33,-0.3 3,-0.4 0.605 82.8 77.2 -95.6 -13.9 16.7 -3.5 -21.9 29 33 A T H >>S+ 0 0 11 78,-2.2 4,-2.7 1,-0.2 5,-2.2 0.864 89.3 61.5 -62.8 -35.3 13.2 -4.3 -23.3 30 34 A I H 4>S+ 0 0 28 77,-0.3 5,-1.2 3,-0.2 -1,-0.2 0.868 106.8 45.2 -60.6 -37.8 11.7 -2.9 -20.1 31 35 A I H 45S+ 0 0 3 -3,-0.4 4,-0.3 -4,-0.2 -2,-0.2 0.963 121.4 34.0 -69.0 -52.0 13.2 0.4 -20.9 32 36 A S H <5S+ 0 0 2 -4,-1.9 -2,-0.2 52,-0.1 -3,-0.2 0.877 140.0 7.8 -71.5 -43.4 12.3 0.7 -24.6 33 37 A H T <5S+ 0 0 17 -4,-2.7 -3,-0.2 -5,-0.2 238,-0.1 0.737 120.9 62.6-114.0 -30.9 9.0 -1.1 -24.8 34 38 A G T > - 0 0 68 0, 0.0 4,-2.2 0, 0.0 3,-0.9 -0.353 52.3 -44.9 -88.8 174.6 7.4 5.3 -21.5 37 41 A F T 34 S+ 0 0 118 1,-0.3 45,-0.1 2,-0.2 -5,-0.0 -0.649 115.7 2.9 -92.9 147.6 9.8 8.3 -21.3 38 42 A P T 3> S+ 0 0 74 0, 0.0 4,-1.3 0, 0.0 -1,-0.3 -0.831 121.7 66.7 -94.8 42.0 11.3 9.4 -19.2 39 43 A Q H <> S+ 0 0 78 -3,-0.9 4,-2.4 2,-0.2 -2,-0.2 0.822 96.4 60.5 -80.3 -30.5 10.2 6.8 -16.6 40 44 A N H X S+ 0 0 4 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.948 110.5 36.9 -59.7 -52.6 12.1 4.1 -18.4 41 45 A A H > S+ 0 0 14 2,-0.2 4,-2.8 1,-0.2 5,-0.4 0.903 116.9 50.9 -71.1 -42.8 15.6 5.6 -18.1 42 46 A Q H X S+ 0 0 55 -4,-1.3 4,-2.4 1,-0.2 -2,-0.2 0.956 113.5 47.7 -55.3 -49.6 15.1 7.0 -14.6 43 47 A T H X S+ 0 0 8 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.912 113.1 48.4 -56.6 -46.3 13.8 3.6 -13.6 44 48 A A H X S+ 0 0 14 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.945 113.4 43.1 -65.0 -52.0 16.8 1.9 -15.2 45 49 A I H X S+ 0 0 40 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.933 116.3 51.2 -59.4 -42.9 19.6 4.0 -13.8 46 50 A E H X S+ 0 0 97 -4,-2.4 4,-2.2 -5,-0.4 -2,-0.2 0.878 106.3 52.3 -63.2 -41.7 17.9 3.9 -10.5 47 51 A V H X S+ 0 0 6 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.910 108.0 54.3 -56.9 -43.1 17.6 0.1 -10.5 48 52 A E H X S+ 0 0 19 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.932 110.2 45.2 -57.2 -45.0 21.3 0.0 -11.2 49 53 A E H X S+ 0 0 90 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.838 107.2 58.1 -70.1 -33.1 22.0 2.2 -8.1 50 54 A T H X S+ 0 0 27 -4,-2.2 4,-1.2 2,-0.2 -1,-0.2 0.955 107.0 48.9 -59.3 -49.1 19.6 0.1 -6.0 51 55 A I H ><>S+ 0 0 0 -4,-2.5 5,-1.6 1,-0.2 3,-1.4 0.961 109.7 52.2 -55.7 -52.6 21.7 -2.9 -6.8 52 56 A R H ><5S+ 0 0 101 -4,-2.3 3,-1.4 1,-0.3 -1,-0.2 0.848 105.6 53.7 -48.4 -42.6 24.8 -0.9 -5.9 53 57 A K H 3<5S+ 0 0 87 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.668 104.0 57.0 -71.9 -17.2 23.4 0.1 -2.5 54 58 A Q T <<5S- 0 0 92 -3,-1.4 -1,-0.3 -4,-1.2 -2,-0.2 0.426 123.8-108.4 -85.9 -0.9 22.8 -3.6 -1.8 55 59 A G T < 5S+ 0 0 58 -3,-1.4 2,-0.2 -4,-0.3 -3,-0.2 0.819 81.9 112.8 78.4 31.0 26.5 -4.1 -2.4 56 60 A A < - 0 0 6 -5,-1.6 -1,-0.3 -6,-0.1 -33,-0.2 -0.708 67.1-110.6-120.9 178.7 26.3 -5.9 -5.7 57 61 A V E -e 23 0B 22 -35,-2.2 -33,-2.5 -2,-0.2 2,-0.2 -0.956 25.5-141.6-117.9 118.5 27.3 -4.9 -9.3 58 62 A P E -e 24 0B 2 0, 0.0 2,-0.3 0, 0.0 -33,-0.2 -0.574 14.6-173.9 -76.2 140.0 24.6 -4.2 -11.9 59 63 A A E -e 25 0B 0 -35,-2.5 -33,-2.2 -2,-0.2 2,-0.3 -0.819 7.3-164.5-129.7 103.5 25.2 -5.3 -15.5 60 64 A T E -e 26 0B 2 -2,-0.3 11,-3.4 -35,-0.2 2,-0.4 -0.611 16.5-145.5 -81.6 141.1 22.4 -4.0 -17.7 61 65 A I E +B 70 0A 0 -35,-2.5 46,-0.4 -2,-0.3 2,-0.3 -0.862 32.4 128.0-115.6 141.1 22.5 -5.9 -21.0 62 66 A A E -B 69 0A 1 7,-2.0 7,-3.0 -2,-0.4 2,-0.7 -0.981 55.4 -91.3-169.5-178.2 21.7 -4.7 -24.5 63 67 A I E -BC 68 105A 1 42,-2.3 42,-2.1 -2,-0.3 2,-0.6 -0.916 38.5-175.7-111.7 107.0 22.8 -4.5 -28.2 64 68 A I E > S-B 67 0A 27 3,-2.2 3,-1.9 -2,-0.7 40,-0.2 -0.906 71.1 -25.9-109.2 114.6 24.6 -1.3 -28.8 65 69 A G T 3 S- 0 0 46 -2,-0.6 38,-0.2 1,-0.3 39,-0.2 0.850 128.2 -46.5 50.7 42.3 25.6 -0.6 -32.5 66 70 A G T 3 S+ 0 0 5 37,-2.3 2,-0.4 1,-0.2 -1,-0.3 0.427 115.8 114.4 84.4 -1.5 25.6 -4.4 -33.2 67 71 A V E < - B 0 64A 23 -3,-1.9 -3,-2.2 35,-0.1 2,-0.9 -0.868 68.3-129.1-103.9 135.7 27.6 -5.3 -30.2 68 72 A M E -aB 7 63A 0 -62,-4.1 -60,-2.7 -2,-0.4 2,-0.5 -0.718 36.5-164.5 -77.9 112.5 26.2 -7.5 -27.3 69 73 A K E -aB 8 62A 9 -7,-3.0 -7,-2.0 -2,-0.9 2,-0.8 -0.860 19.0-160.8-112.6 124.5 27.1 -5.3 -24.4 70 74 A V E S+aB 9 61A 0 -62,-2.2 -60,-3.0 -2,-0.5 -9,-0.2 -0.896 77.1 14.7-102.9 106.9 27.1 -6.4 -20.7 71 75 A G S S- 0 0 7 -11,-3.4 2,-0.3 -2,-0.8 -9,-0.1 0.241 80.0-145.0 93.4 141.2 27.0 -3.3 -18.6 72 76 A L - 0 0 22 -11,-0.1 -12,-0.1 -62,-0.1 2,-0.1 -0.907 11.1-112.2-141.4 152.1 26.1 0.1 -20.1 73 77 A S > - 0 0 51 -2,-0.3 4,-1.6 1,-0.1 5,-0.2 -0.405 34.7-112.5 -75.1 160.6 26.9 3.8 -19.8 74 78 A K H > S+ 0 0 86 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.898 120.5 59.1 -55.0 -39.4 24.3 6.2 -18.5 75 79 A E H > S+ 0 0 69 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.955 102.5 48.2 -55.4 -54.1 24.4 7.5 -22.0 76 80 A E H > S+ 0 0 58 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.841 112.3 49.7 -63.0 -33.3 23.4 4.3 -23.7 77 81 A I H X S+ 0 0 5 -4,-1.6 4,-2.7 2,-0.2 5,-0.2 0.952 108.4 50.8 -69.4 -49.5 20.5 3.9 -21.3 78 82 A E H X S+ 0 0 38 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.917 110.8 55.2 -47.2 -42.2 19.3 7.4 -21.9 79 83 A L H X S+ 0 0 58 -4,-2.5 4,-2.8 -5,-0.2 5,-0.3 0.915 107.2 44.7 -58.7 -51.9 19.6 6.4 -25.5 80 84 A L H X S+ 0 0 7 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.886 114.3 51.4 -64.8 -37.6 17.3 3.3 -25.3 81 85 A G H < S+ 0 0 1 -4,-2.7 -2,-0.2 2,-0.2 -1,-0.2 0.848 115.2 40.1 -67.3 -38.7 14.8 5.3 -23.2 82 86 A R H < S+ 0 0 155 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.944 116.3 47.8 -73.4 -50.6 14.6 8.2 -25.7 83 87 A E H >< S+ 0 0 38 -4,-2.8 3,-1.8 -5,-0.2 4,-0.2 0.813 87.8 157.3 -64.5 -30.5 14.6 6.1 -28.9 84 88 A G G >< + 0 0 9 -4,-1.7 3,-2.4 -5,-0.3 -1,-0.2 -0.065 62.0 9.7 53.4-130.9 12.0 3.9 -27.3 85 89 A H G 3 S+ 0 0 125 1,-0.3 -1,-0.3 -3,-0.1 4,-0.2 0.729 118.9 72.5 -58.5 -21.4 9.8 1.8 -29.6 86 90 A N G < S+ 0 0 92 -3,-1.8 -1,-0.3 -54,-0.1 -2,-0.2 0.735 83.7 84.9 -67.1 -20.7 12.0 2.8 -32.6 87 91 A V S < S- 0 0 12 -3,-2.4 2,-0.5 -7,-0.2 18,-0.2 -0.526 95.0-103.1 -77.7 148.9 14.6 0.4 -31.1 88 92 A T E -d 105 0A 58 16,-1.2 18,-2.6 -2,-0.2 2,-0.5 -0.636 23.4-134.8 -80.3 120.9 14.3 -3.3 -32.0 89 93 A K E -d 106 0A 31 -2,-0.5 2,-0.6 16,-0.2 18,-0.2 -0.642 29.8-150.8 -67.9 123.3 12.8 -5.5 -29.3 90 94 A V E +d 107 0A 0 16,-3.3 18,-2.7 -2,-0.5 21,-0.4 -0.894 26.5 163.2-114.4 110.2 15.1 -8.5 -29.4 91 95 A S > - 0 0 8 -2,-0.6 4,-1.5 16,-0.2 3,-0.3 -0.289 60.6 -76.0 -98.3-168.3 14.1 -12.1 -28.5 92 96 A R T 4 S+ 0 0 48 1,-0.2 3,-0.3 2,-0.2 697,-0.1 0.937 131.6 47.6 -57.6 -51.3 16.2 -15.2 -29.4 93 97 A R T 4 S+ 0 0 24 695,-0.3 -1,-0.2 1,-0.2 4,-0.2 0.730 114.2 49.9 -65.3 -21.5 15.2 -15.3 -33.1 94 98 A D T >> S+ 0 0 12 -3,-0.3 4,-1.6 1,-0.1 3,-1.0 0.794 89.2 83.4 -82.0 -33.7 15.9 -11.6 -33.5 95 99 A L H 3X S+ 0 0 1 -4,-1.5 4,-1.7 -3,-0.3 5,-0.2 0.770 84.4 50.1 -48.7 -49.6 19.4 -11.5 -31.9 96 100 A P H 3> S+ 0 0 3 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.824 111.4 49.8 -67.2 -29.6 21.8 -12.5 -34.7 97 101 A F H <> S+ 0 0 17 -3,-1.0 4,-3.5 2,-0.2 5,-0.3 0.904 108.9 49.1 -76.4 -44.3 20.4 -10.0 -37.2 98 102 A V H <>S+ 0 0 13 -4,-1.6 5,-1.4 1,-0.2 4,-0.2 0.807 114.8 48.7 -63.1 -29.0 20.5 -7.0 -34.9 99 103 A V H <5S+ 0 0 12 -4,-1.7 -2,-0.2 -5,-0.3 -1,-0.2 0.906 116.0 41.9 -75.0 -39.9 24.1 -8.0 -34.2 100 104 A A H <5S+ 0 0 42 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.2 0.933 112.9 49.4 -72.0 -49.7 24.9 -8.4 -37.9 101 105 A A T <5S- 0 0 88 -4,-3.5 -1,-0.2 -5,-0.1 -3,-0.2 0.585 109.0-128.6 -67.9 -7.6 23.1 -5.2 -39.2 102 106 A G T 5 + 0 0 34 -5,-0.3 -3,-0.2 -4,-0.2 -35,-0.1 0.810 59.0 140.6 68.9 31.9 25.0 -3.5 -36.4 103 107 A K < - 0 0 44 -5,-1.4 -37,-2.3 -6,-0.2 2,-0.3 -0.377 55.0 -95.5-101.4 178.9 21.9 -1.9 -35.0 104 108 A N + 0 0 55 -39,-0.2 -16,-1.2 -40,-0.2 2,-0.3 -0.755 42.8 176.6 -94.0 144.2 20.7 -1.2 -31.5 105 109 A G E -Cd 63 88A 0 -42,-2.1 -42,-2.3 -2,-0.3 2,-0.6 -0.999 29.4-132.8-150.0 152.9 18.3 -3.5 -29.7 106 110 A A E - d 0 89A 0 -18,-2.6 -16,-3.3 -2,-0.3 2,-0.2 -0.900 32.7-133.8-107.0 119.5 16.5 -4.0 -26.4 107 111 A T E - d 0 90A 0 -2,-0.6 -78,-2.2 -46,-0.4 -79,-0.4 -0.464 10.7-144.6 -79.8 140.4 16.8 -7.5 -25.2 108 112 A T > - 0 0 12 -18,-2.7 4,-3.0 -2,-0.2 5,-0.2 -0.243 43.7 -84.9 -79.4-176.6 13.9 -9.5 -23.8 109 113 A V H > S+ 0 0 2 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.935 130.5 53.6 -53.3 -49.5 14.2 -12.0 -20.9 110 114 A A H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.961 114.7 38.4 -48.0 -62.4 15.2 -14.7 -23.4 111 115 A S H > S+ 0 0 0 -21,-0.4 4,-2.8 1,-0.2 5,-0.3 0.886 113.9 55.2 -60.2 -42.4 18.0 -12.6 -25.0 112 116 A T H X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 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T H > S+ 0 0 15 -4,-0.4 4,-2.5 -3,-0.3 5,-0.2 0.923 113.5 49.6 -65.9 -47.6 1.0 -34.5 -46.1 880 271 C P H > S+ 0 0 21 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.934 112.2 50.4 -57.1 -43.5 1.7 -36.9 -48.9 881 272 C F H X S+ 0 0 52 -4,-1.5 4,-2.9 1,-0.2 -2,-0.2 0.938 111.1 47.0 -56.6 -52.0 -2.1 -37.6 -49.2 882 273 C L H X S+ 0 0 7 -4,-2.1 4,-2.9 2,-0.2 -1,-0.2 0.885 111.8 51.1 -60.4 -42.5 -3.0 -33.9 -49.3 883 274 C L H X S+ 0 0 17 -4,-2.5 4,-2.3 2,-0.2 5,-0.3 0.967 112.2 45.4 -60.2 -54.7 -0.4 -33.2 -51.9 884 275 C A H X S+ 0 0 65 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.925 115.4 48.9 -52.1 -48.1 -1.5 -36.0 -54.2 885 276 C R H X S+ 0 0 42 -4,-2.9 4,-2.2 -5,-0.2 -1,-0.2 0.878 109.8 51.3 -61.9 -42.1 -5.1 -34.9 -53.7 886 277 C V H X S+ 0 0 1 -4,-2.9 4,-2.6 2,-0.2 8,-0.2 0.921 109.4 47.2 -62.8 -49.4 -4.4 -31.2 -54.4 887 278 C A H <>S+ 0 0 21 -4,-2.3 5,-3.7 1,-0.2 6,-0.3 0.870 112.0 54.4 -61.5 -34.0 -2.6 -31.8 -57.8 888 279 C E H ><5S+ 0 0 134 -4,-1.7 3,-0.9 -5,-0.3 -2,-0.2 0.927 111.4 42.1 -62.3 -47.8 -5.4 -34.1 -58.7 889 280 C L H 3<5S+ 0 0 58 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.809 119.7 44.9 -70.5 -30.6 -8.0 -31.3 -58.0 890 281 C T T ><5S- 0 0 15 -4,-2.6 3,-1.9 -5,-0.2 -1,-0.2 0.230 112.7-122.9 -93.0 7.9 -5.8 -28.8 -59.7 891 282 C G T < 5S- 0 0 63 -3,-0.9 -3,-0.2 1,-0.3 -4,-0.1 0.859 71.9 -46.7 52.4 44.6 -5.2 -31.2 -62.6 892 283 C G T 3> S+ 0 0 101 -3,-1.9 4,-2.5 -6,-0.3 5,-0.2 0.864 76.5 51.2 -65.8 -38.2 -0.9 -27.4 -61.9 894 285 C S H > S+ 0 0 3 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.867 109.9 51.3 -67.3 -33.9 -0.0 -27.3 -58.3 895 286 C L H > S+ 0 0 14 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.894 110.4 49.2 -66.1 -40.1 2.7 -30.0 -58.9 896 287 C K H X S+ 0 0 49 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.890 112.7 46.7 -63.9 -42.3 4.0 -27.9 -61.7 897 288 C S H X S+ 0 0 6 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.868 110.7 55.5 -63.5 -39.1 4.0 -24.9 -59.4 898 289 C N H X S+ 0 0 13 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.902 105.5 49.0 -62.9 -43.7 5.7 -27.1 -56.9 899 290 C I H X S+ 0 0 40 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.858 111.0 51.3 -64.3 -40.5 8.5 -28.1 -59.1 900 291 C Q H X S+ 0 0 71 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.949 107.2 50.6 -62.3 -51.2 9.2 -24.5 -60.1 901 292 C L H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.879 108.5 55.5 -58.2 -36.2 9.4 -23.2 -56.5 902 293 C V H X S+ 0 0 20 -4,-1.7 4,-2.4 -5,-0.2 -1,-0.2 0.961 108.7 45.6 -59.7 -51.5 11.8 -26.0 -55.8 903 294 C F H X S+ 0 0 37 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.949 111.9 52.4 -53.5 -51.2 14.2 -24.9 -58.6 904 295 C N H X S+ 0 0 46 -4,-2.7 4,-2.4 1,-0.2 5,-0.2 0.922 110.5 47.7 -51.0 -50.1 13.9 -21.2 -57.4 905 296 C N H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.875 106.6 57.3 -61.1 -39.7 14.8 -22.2 -53.9 906 297 C A H X S+ 0 0 2 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.899 108.1 48.7 -58.4 -39.0 17.8 -24.3 -55.1 907 298 C I H X S+ 0 0 35 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.978 112.7 44.2 -65.8 -55.1 19.1 -21.1 -56.8 908 299 C L H X S+ 0 0 15 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.902 113.6 54.3 -54.3 -39.3 18.7 -18.8 -53.8 909 300 C A H X S+ 0 0 0 -4,-2.7 4,-3.0 2,-0.2 -1,-0.2 0.895 105.0 51.6 -63.1 -44.8 20.3 -21.6 -51.7 910 301 C S H X S+ 0 0 3 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.956 110.2 49.9 -56.3 -51.1 23.3 -21.9 -53.9 911 302 C E H X S+ 0 0 67 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.937 112.3 47.5 -54.4 -50.5 23.9 -18.2 -53.6 912 303 C I H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.943 110.9 50.7 -52.9 -54.4 23.6 -18.4 -49.8 913 304 C A H X S+ 0 0 3 -4,-3.0 4,-2.3 2,-0.2 -1,-0.2 0.882 113.6 46.1 -54.3 -42.4 25.9 -21.3 -49.5 914 305 C K H X S+ 0 0 44 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.975 112.7 47.4 -64.7 -55.3 28.6 -19.5 -51.6 915 306 C E H X S+ 0 0 16 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.850 115.3 48.2 -56.4 -35.4 28.3 -16.2 -49.8 916 307 C Y H < S+ 0 0 49 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.888 107.1 53.9 -71.2 -45.7 28.5 -18.1 -46.5 917 308 C Q H < S+ 0 0 66 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.900 107.1 53.6 -55.5 -40.4 31.5 -20.2 -47.5 918 309 C R H < S+ 0 0 87 -4,-2.3 2,-0.5 -5,-0.2 -1,-0.2 0.966 103.8 60.7 -56.4 -53.5 33.3 -17.0 -48.4 919 310 C L < 0 0 79 -4,-1.7 -1,-0.0 -5,-0.2 -90,-0.0 -0.677 360.0 360.0 -78.7 121.9 32.5 -15.7 -44.9 920 311 C A 0 0 104 -2,-0.5 -3,-0.1 -91,-0.0 -1,-0.1 0.008 360.0 360.0 37.3 360.0 34.3 -18.1 -42.5