==== 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 4GIJ . COMPND 2 MOLECULE: PSEUDOURIDINE-5'-PHOSPHATE GLYCOSIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.HUANG,N.MAHANTA,T.P.BEGLEY,S.E.EALICK . 910 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32060.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 698 76.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 103 11.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 4.6 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 . 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 . 67 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 76 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 368 40.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 22 2.4 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 4 0 3 1 6 0 7 2 0 6 0 4 0 0 2 0 0 0 0 0 0 1 1 1 0 0 0 RESIDUES PER ALPHA HELIX . 2 3 15 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 1 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 6 A I 0 0 98 0, 0.0 5,-0.1 0, 0.0 831,-0.1 0.000 360.0 360.0 360.0 137.7 4.2 -7.1 -17.1 2 7 A S >> - 0 0 50 1,-0.1 4,-2.0 829,-0.1 3,-1.0 -0.083 360.0-130.2 -54.8 145.5 2.6 -6.9 -20.6 3 8 A P T 34 S+ 0 0 95 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.669 109.6 66.6 -66.2 -18.9 2.3 -10.0 -22.9 4 9 A E T 34 S+ 0 0 65 1,-0.1 3,-0.1 62,-0.1 -2,-0.1 0.773 110.2 33.9 -71.4 -30.4 3.8 -7.8 -25.5 5 10 A L T <4 S+ 0 0 16 -3,-1.0 62,-3.1 1,-0.3 2,-0.4 0.795 127.4 26.4 -86.6 -40.5 7.1 -7.7 -23.5 6 11 A L E < -a 67 0A 17 -4,-2.0 2,-0.4 60,-0.2 -1,-0.3 -0.991 59.6-176.4-137.5 127.9 7.2 -11.2 -21.9 7 12 A Q E -a 68 0A 84 60,-2.7 62,-2.7 -2,-0.4 2,-0.5 -0.989 10.5-156.5-130.5 132.8 5.7 -14.5 -23.0 8 13 A I E -a 69 0A 41 -2,-0.4 62,-0.2 60,-0.2 60,-0.1 -0.891 26.9-117.9-106.9 131.4 5.8 -17.7 -21.1 9 14 A S > - 0 0 24 60,-3.0 4,-3.2 -2,-0.5 5,-0.2 -0.211 23.8-111.5 -66.5 157.5 5.4 -20.9 -23.1 10 15 A P H > S+ 0 0 106 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.914 117.8 53.3 -54.6 -45.0 2.5 -23.3 -22.5 11 16 A E H > S+ 0 0 76 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.932 114.9 41.1 -57.0 -45.9 4.8 -26.0 -21.1 12 17 A V H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.910 113.3 52.0 -72.1 -42.3 6.3 -23.5 -18.6 13 18 A Q H X S+ 0 0 110 -4,-3.2 4,-2.7 2,-0.2 5,-0.2 0.923 110.7 50.2 -56.3 -46.2 3.0 -21.8 -17.8 14 19 A D H X S+ 0 0 74 -4,-2.8 4,-2.7 -5,-0.2 -2,-0.2 0.949 111.2 48.9 -55.4 -50.2 1.6 -25.3 -17.0 15 20 A A H <>S+ 0 0 0 -4,-2.3 5,-3.1 -5,-0.2 4,-0.4 0.928 113.3 45.1 -57.8 -49.6 4.5 -26.1 -14.8 16 21 A L H ><5S+ 0 0 48 -4,-2.8 3,-0.8 3,-0.2 -1,-0.2 0.910 114.7 49.1 -62.1 -42.7 4.3 -22.8 -12.8 17 22 A K H 3<5S+ 0 0 70 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.899 116.1 42.1 -64.1 -41.2 0.5 -23.2 -12.5 18 23 A N T 3<5S- 0 0 97 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.329 114.3-115.6 -90.7 5.9 0.8 -26.8 -11.3 19 24 A K T < 5 + 0 0 118 -3,-0.8 -3,-0.2 -4,-0.4 -4,-0.1 0.892 58.6 158.1 62.5 41.1 3.7 -26.0 -9.0 20 25 A K < - 0 0 95 -5,-3.1 2,-0.2 -6,-0.2 -1,-0.2 -0.738 50.8 -97.8 -90.6 145.5 6.2 -28.3 -11.0 21 26 A P - 0 0 21 0, 0.0 35,-2.6 0, 0.0 2,-0.4 -0.493 42.0-162.2 -68.7 130.5 9.9 -27.5 -10.6 22 27 A V E -e 56 0B 11 -2,-0.2 2,-0.5 33,-0.2 100,-0.4 -0.899 8.6-161.1-116.4 138.8 11.3 -25.4 -13.4 23 28 A V E -e 57 0B 0 33,-2.4 35,-2.5 -2,-0.4 100,-0.2 -0.986 15.0-141.6-119.6 119.7 14.9 -24.9 -14.4 24 29 A A E -ef 58 123B 0 98,-3.0 100,-2.6 -2,-0.5 2,-0.3 -0.495 15.0-165.5 -75.3 149.4 15.9 -21.9 -16.6 25 30 A L E -ef 59 124B 12 33,-2.2 35,-2.7 98,-0.2 45,-0.2 -0.967 17.1-122.2-133.1 147.2 18.6 -22.2 -19.3 26 31 A E - 0 0 14 98,-0.6 81,-0.1 -2,-0.3 35,-0.1 -0.402 4.2-147.9 -82.9 159.4 20.4 -19.4 -21.2 27 32 A S S >> S+ 0 0 0 79,-0.6 4,-1.9 33,-0.1 3,-0.8 0.581 83.3 80.3 -98.1 -13.9 20.4 -18.9 -25.0 28 33 A T H 3> S+ 0 0 26 78,-1.4 4,-2.3 1,-0.3 5,-0.2 0.854 89.2 55.8 -68.1 -32.4 23.9 -17.5 -25.4 29 34 A I H 3> S+ 0 0 61 77,-0.2 4,-0.7 3,-0.2 -1,-0.3 0.811 108.3 52.4 -64.2 -29.0 25.5 -20.9 -25.2 30 35 A I H <> S+ 0 0 6 -3,-0.8 4,-0.6 2,-0.2 -2,-0.2 0.971 118.7 29.6 -71.4 -56.1 23.2 -21.8 -28.2 31 36 A S H < S+ 0 0 0 -4,-1.9 -2,-0.2 1,-0.2 -3,-0.1 0.944 135.1 29.2 -69.1 -50.2 24.0 -19.0 -30.6 32 37 A H H < S+ 0 0 52 -4,-2.3 -1,-0.2 -5,-0.2 -3,-0.2 0.340 105.3 77.8 -98.2 3.2 27.6 -18.4 -29.5 33 38 A G H < S- 0 0 38 -4,-0.7 -3,-0.2 -5,-0.2 -1,-0.1 0.945 102.4 -37.6 -76.2 -51.4 28.5 -21.9 -28.4 34 39 A M S < S- 0 0 47 -4,-0.6 -1,-0.2 -5,-0.3 5,-0.1 -0.924 74.1 -55.2-166.7 178.3 29.2 -23.9 -31.5 35 40 A P > - 0 0 89 0, 0.0 4,-2.1 0, 0.0 5,-0.1 -0.293 64.9 -74.9 -76.2 157.4 28.1 -24.6 -35.1 36 41 A F T 4 S+ 0 0 60 1,-0.3 41,-0.0 2,-0.2 45,-0.0 -0.633 108.3 21.9 -87.3 150.5 24.6 -25.6 -36.4 37 42 A P T > S+ 0 0 55 0, 0.0 4,-2.4 0, 0.0 -1,-0.3 -0.999 123.3 56.9 -72.9 -13.3 22.9 -28.1 -36.3 38 43 A Q H > S+ 0 0 91 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.855 102.8 55.7 -53.2 -39.5 25.0 -29.3 -33.3 39 44 A N H X S+ 0 0 4 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.953 111.3 42.2 -60.2 -47.3 24.2 -26.3 -31.2 40 45 A A H > S+ 0 0 5 -3,-0.3 4,-2.5 2,-0.2 5,-0.2 0.899 112.9 54.6 -66.3 -40.5 20.5 -26.7 -31.4 41 46 A Q H X S+ 0 0 99 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.924 110.4 46.3 -55.2 -47.4 20.8 -30.5 -30.9 42 47 A T H X S+ 0 0 24 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.931 109.7 53.4 -65.6 -44.2 22.8 -29.9 -27.7 43 48 A A H X S+ 0 0 11 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.935 111.6 45.6 -54.5 -48.6 20.3 -27.3 -26.5 44 49 A I H X S+ 0 0 49 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.887 109.3 55.8 -63.8 -37.6 17.4 -29.7 -26.9 45 50 A E H X S+ 0 0 100 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.859 106.3 51.3 -63.2 -34.7 19.4 -32.5 -25.3 46 51 A V H X S+ 0 0 10 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.935 109.0 50.3 -66.6 -45.6 19.9 -30.2 -22.2 47 52 A E H X S+ 0 0 11 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.928 110.7 50.1 -55.2 -44.7 16.2 -29.6 -22.0 48 53 A E H X S+ 0 0 99 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.834 105.3 56.7 -64.7 -34.2 15.6 -33.4 -22.2 49 54 A T H X S+ 0 0 29 -4,-1.8 4,-1.3 2,-0.2 -1,-0.2 0.918 108.2 47.8 -60.9 -46.4 18.1 -34.0 -19.4 50 55 A I H <>S+ 0 0 0 -4,-2.2 5,-2.2 2,-0.2 3,-0.4 0.934 111.3 49.9 -57.3 -48.9 16.1 -31.7 -17.2 51 56 A R H ><5S+ 0 0 71 -4,-2.3 3,-1.9 1,-0.2 -2,-0.2 0.911 107.1 55.0 -58.6 -41.5 12.8 -33.5 -18.2 52 57 A K H 3<5S+ 0 0 180 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.807 103.9 55.5 -61.5 -29.6 14.4 -36.9 -17.4 53 58 A Q T 3<5S- 0 0 47 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.469 124.4-105.9 -82.4 -0.8 15.2 -35.6 -13.9 54 59 A G T < 5S+ 0 0 51 -3,-1.9 2,-0.2 1,-0.3 -3,-0.2 0.701 85.4 109.9 83.4 20.5 11.6 -34.8 -13.5 55 60 A A < - 0 0 4 -5,-2.2 -1,-0.3 -6,-0.1 -33,-0.2 -0.703 68.1-115.2-113.9 176.2 11.8 -31.0 -13.8 56 61 A V E -e 22 0B 18 -35,-2.6 -33,-2.4 -2,-0.2 2,-0.2 -0.955 25.9-138.5-115.1 121.8 10.6 -28.7 -16.6 57 62 A P E -e 23 0B 1 0, 0.0 2,-0.3 0, 0.0 -33,-0.2 -0.514 13.4-168.9 -77.1 145.3 13.2 -26.7 -18.7 58 63 A A E -e 24 0B 0 -35,-2.5 -33,-2.2 -2,-0.2 2,-0.3 -0.789 6.1-162.8-131.8 99.8 12.7 -23.1 -19.7 59 64 A T E -e 25 0B 2 -2,-0.3 11,-2.4 -35,-0.2 2,-0.4 -0.585 17.1-149.0 -77.4 135.2 15.2 -22.0 -22.2 60 65 A I E +B 69 0A 0 -35,-2.7 46,-0.5 -2,-0.3 2,-0.3 -0.889 31.2 133.9-113.2 138.6 15.2 -18.2 -22.2 61 66 A A E -B 68 0A 0 7,-1.9 7,-3.2 -2,-0.4 2,-0.5 -0.962 52.5-101.2-159.2 175.8 15.8 -15.8 -25.1 62 67 A I E -BC 67 104A 0 42,-2.6 42,-3.0 -2,-0.3 2,-0.5 -0.965 38.7-177.7-107.1 123.6 14.6 -12.7 -26.9 63 68 A I E > -B 66 0A 21 3,-2.5 3,-2.0 -2,-0.5 40,-0.2 -0.985 68.9 -17.3-124.0 123.5 12.7 -13.6 -30.1 64 69 A G T 3 S- 0 0 46 -2,-0.5 38,-0.3 1,-0.3 39,-0.2 0.854 129.9 -52.5 51.0 37.8 11.3 -10.9 -32.4 65 70 A G T 3 S+ 0 0 6 37,-2.1 2,-0.4 1,-0.2 -1,-0.3 0.508 114.1 116.7 81.0 7.5 11.7 -8.5 -29.5 66 71 A V E < - B 0 63A 22 -3,-2.0 -3,-2.5 36,-0.1 2,-0.7 -0.907 68.0-125.7-111.8 133.6 9.8 -10.5 -27.0 67 72 A M E -aB 6 62A 0 -62,-3.1 -60,-2.7 -2,-0.4 2,-0.5 -0.692 35.3-159.0 -76.8 116.7 11.4 -11.9 -23.8 68 73 A K E -aB 7 61A 44 -7,-3.2 -7,-1.9 -2,-0.7 2,-0.7 -0.876 17.6-165.1-110.4 127.1 10.6 -15.6 -24.1 69 74 A V E S+aB 8 60A 0 -62,-2.7 -60,-3.0 -2,-0.5 -9,-0.2 -0.945 77.8 10.9-110.9 106.2 10.5 -18.0 -21.2 70 75 A G S S- 0 0 5 -11,-2.4 2,-0.3 -2,-0.7 -1,-0.2 0.446 82.6-139.6 90.9 133.2 10.5 -21.5 -22.7 71 76 A L - 0 0 16 -3,-0.1 -12,-0.2 -62,-0.1 2,-0.1 -0.847 7.0-120.0-125.1 152.5 11.2 -21.9 -26.4 72 77 A S > - 0 0 46 -2,-0.3 4,-2.0 1,-0.1 5,-0.2 -0.385 34.7-109.2 -74.6 163.6 9.8 -24.0 -29.2 73 78 A K H > S+ 0 0 47 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.879 122.0 56.5 -56.7 -39.2 12.1 -26.4 -31.1 74 79 A E H > S+ 0 0 128 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.885 106.9 47.5 -60.5 -44.0 11.7 -24.0 -34.1 75 80 A E H > S+ 0 0 29 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.890 109.7 51.1 -68.2 -42.6 13.0 -21.0 -32.0 76 81 A I H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.923 112.0 49.1 -60.5 -39.8 16.0 -22.9 -30.6 77 82 A E H X S+ 0 0 86 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.880 107.8 54.7 -66.2 -37.9 16.8 -23.8 -34.2 78 83 A L H X S+ 0 0 68 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.954 110.9 44.5 -56.3 -52.0 16.4 -20.2 -35.3 79 84 A L H X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.851 113.8 51.6 -63.2 -34.5 18.9 -19.1 -32.6 80 85 A G H < S+ 0 0 2 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.889 112.6 43.9 -70.7 -40.7 21.2 -22.0 -33.6 81 86 A R H < S+ 0 0 169 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.894 113.9 49.7 -69.1 -43.3 21.1 -21.1 -37.4 82 87 A E H >< S+ 0 0 35 -4,-2.6 3,-2.4 -5,-0.2 -2,-0.2 0.860 82.6 158.7 -68.6 -34.3 21.6 -17.4 -36.8 83 88 A G G >< + 0 0 7 -4,-1.8 3,-1.4 1,-0.3 -1,-0.2 -0.224 68.8 7.0 54.8-121.9 24.5 -18.1 -34.5 84 89 A H G 3 S+ 0 0 130 1,-0.3 -1,-0.3 -3,-0.2 4,-0.1 0.556 117.0 75.2 -78.7 -6.7 26.7 -15.0 -34.2 85 90 A N G < S+ 0 0 151 -3,-2.4 2,-0.3 -4,-0.1 -1,-0.3 0.808 80.9 91.2 -64.2 -29.1 24.3 -12.8 -36.1 86 91 A V S < S- 0 0 6 -3,-1.4 18,-0.2 -7,-0.2 2,-0.0 -0.532 86.7-119.6 -72.8 125.7 22.3 -12.9 -32.8 87 92 A T E -d 104 0A 58 16,-0.7 18,-2.6 -2,-0.3 2,-0.6 -0.366 18.2-124.5 -65.2 138.4 23.1 -10.1 -30.4 88 93 A K E -d 105 0A 68 16,-0.2 2,-0.7 -4,-0.1 18,-0.2 -0.784 33.2-144.9 -81.3 123.0 24.5 -11.1 -27.0 89 94 A V E +d 106 0A 0 16,-3.2 18,-1.8 -2,-0.6 21,-0.4 -0.830 23.4 174.8-109.4 111.7 22.1 -9.4 -24.7 90 95 A S >> - 0 0 11 -2,-0.7 4,-1.8 16,-0.2 3,-0.7 -0.397 51.1 -88.6 -96.3 179.1 23.2 -7.9 -21.3 91 96 A R T 34 S+ 0 0 41 1,-0.2 3,-0.1 2,-0.2 743,-0.0 0.883 129.9 47.5 -57.1 -42.1 21.1 -5.9 -18.8 92 97 A R T 34 S+ 0 0 42 694,-0.2 -1,-0.2 1,-0.2 4,-0.2 0.688 114.2 49.0 -76.5 -16.2 22.0 -2.6 -20.5 93 98 A D T X> S+ 0 0 35 -3,-0.7 4,-1.7 2,-0.1 3,-0.9 0.744 90.1 82.5 -83.5 -31.8 21.2 -4.1 -24.0 94 99 A L H 3X S+ 0 0 1 -4,-1.8 4,-2.5 1,-0.3 5,-0.3 0.850 86.2 51.0 -51.1 -50.9 17.8 -5.6 -23.1 95 100 A P H 3> S+ 0 0 1 0, 0.0 4,-2.3 0, 0.0 -1,-0.3 0.847 113.5 46.9 -56.1 -36.7 15.5 -2.5 -23.5 96 101 A F H <> S+ 0 0 14 -3,-0.9 4,-1.6 -4,-0.2 -2,-0.2 0.820 111.4 48.1 -79.8 -32.5 16.9 -1.8 -26.9 97 102 A V H <>S+ 0 0 13 -4,-1.7 5,-2.1 2,-0.2 4,-0.3 0.908 115.8 45.8 -73.1 -42.4 16.7 -5.3 -28.3 98 103 A V H ><5S+ 0 0 11 -4,-2.5 3,-1.6 -5,-0.2 -2,-0.2 0.966 113.3 49.0 -61.8 -50.3 13.1 -5.6 -27.1 99 104 A A H 3<5S+ 0 0 38 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.836 111.6 50.0 -59.2 -33.2 12.2 -2.1 -28.4 100 105 A A T 3<5S- 0 0 61 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.321 109.7-117.5 -94.0 6.4 13.7 -2.8 -31.8 101 106 A G T < 5 + 0 0 40 -3,-1.6 -3,-0.2 -4,-0.3 2,-0.1 0.749 62.6 152.5 69.2 29.0 11.9 -6.2 -32.4 102 107 A K < - 0 0 97 -5,-2.1 -37,-2.1 -38,-0.3 2,-0.3 -0.445 47.6-117.9 -99.0 153.8 15.2 -8.1 -32.5 103 108 A N + 0 0 52 -39,-0.2 -16,-0.7 -40,-0.2 2,-0.3 -0.644 40.4 175.4 -77.1 150.6 16.3 -11.6 -31.7 104 109 A G E -Cd 62 87A 0 -42,-3.0 -42,-2.6 -2,-0.3 2,-0.5 -0.972 32.8-130.7-161.4 149.8 18.9 -12.0 -28.9 105 110 A A E - d 0 88A 0 -18,-2.6 -16,-3.2 -2,-0.3 2,-0.3 -0.847 34.1-130.3-102.3 126.3 20.8 -14.5 -26.8 106 111 A T E - d 0 89A 0 -2,-0.5 -78,-1.4 -46,-0.5 -79,-0.6 -0.562 12.9-141.6 -86.8 137.0 20.6 -13.8 -23.1 107 112 A T > - 0 0 12 -18,-1.8 4,-2.7 -2,-0.3 5,-0.2 -0.174 40.7 -89.1 -75.1 178.9 23.7 -13.7 -20.9 108 113 A V H > S+ 0 0 2 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.954 130.4 49.1 -55.0 -46.6 23.8 -15.1 -17.4 109 114 A A H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.950 114.0 42.1 -59.8 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49.0 -65.9 -43.4 17.3 -31.5 -8.0 297 303 A I H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.925 111.4 50.2 -59.7 -45.6 17.6 -28.1 -6.4 298 304 A A H X S+ 0 0 4 -4,-2.9 4,-2.9 -5,-0.2 5,-0.3 0.903 110.0 50.5 -60.5 -43.4 14.4 -26.9 -8.2 299 305 A K H X S+ 0 0 66 -4,-2.4 4,-2.0 -5,-0.2 -2,-0.2 0.937 113.9 44.3 -58.3 -46.2 12.6 -30.1 -7.0 300 306 A E H X S+ 0 0 49 -4,-2.5 4,-1.3 2,-0.2 -2,-0.2 0.891 115.7 47.8 -69.1 -36.5 13.6 -29.5 -3.4 301 307 A Y H >X S+ 0 0 37 -4,-2.6 4,-1.8 -5,-0.2 3,-0.6 0.956 111.2 48.5 -70.2 -49.1 12.9 -25.8 -3.5 302 308 A Q H 3< S+ 0 0 47 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.886 105.2 61.5 -56.3 -39.7 9.5 -26.2 -5.1 303 309 A R H 3< S+ 0 0 178 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.880 112.9 36.2 -54.3 -41.1 8.8 -28.8 -2.4 304 310 A L H << 0 0 81 -4,-1.3 -1,-0.2 -3,-0.6 -2,-0.2 0.744 360.0 360.0 -81.8 -21.6 9.2 -26.1 0.2 305 311 A A < 0 0 78 -4,-1.8 -90,-0.0 -5,-0.1 -4,-0.0 -0.495 360.0 360.0 -99.0 360.0 7.7 -23.1 -1.7 306 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 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