==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 04-SEP-09 3IXQ . COMPND 2 MOLECULE: RIBOSE-5-PHOSPHATE ISOMERASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOCALDOCOCCUS JANNASCHII; . AUTHOR S.V.ANTONYUK,M.J.ELLIS,R.W.STRANGE,S.S.HASNAIN,Y.BESSHO, . 900 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33905.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 624 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 100 11.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 123 13.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 56 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 78 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 223 24.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 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 0 0 0 0 2 8 6 2 2 0 0 0 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 4 4 8 4 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 9 4 6 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 6 2 0 4 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 2 A S 0 0 102 0, 0.0 5,-0.1 0, 0.0 119,-0.0 0.000 360.0 360.0 360.0 -26.7 40.3 -0.9 30.1 2 3 A N > + 0 0 63 1,-0.1 4,-2.1 3,-0.1 3,-0.3 0.759 360.0 168.4 57.4 41.4 40.6 0.7 33.6 3 4 A E H > S+ 0 0 100 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.828 74.6 56.9 -62.8 -33.7 39.7 -2.3 35.8 4 5 A D H > S+ 0 0 113 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.914 109.0 45.0 -62.1 -44.6 40.9 -0.6 38.9 5 6 A L H > S+ 0 0 9 -3,-0.3 4,-2.1 1,-0.2 -2,-0.2 0.860 112.4 52.8 -68.9 -35.8 38.4 2.3 38.3 6 7 A K H X S+ 0 0 17 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.904 109.7 47.3 -66.2 -42.4 35.6 -0.1 37.5 7 8 A L H X S+ 0 0 54 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.888 110.1 54.1 -64.4 -42.3 36.1 -2.1 40.7 8 9 A K H X S+ 0 0 70 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.916 109.9 46.1 -57.3 -47.3 36.2 1.1 42.7 9 10 A V H X S+ 0 0 0 -4,-2.1 4,-3.0 1,-0.2 -1,-0.2 0.904 112.3 51.2 -66.3 -40.1 32.9 2.3 41.3 10 11 A A H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.916 109.9 49.5 -61.2 -45.0 31.3 -1.1 41.9 11 12 A K H < S+ 0 0 97 -4,-2.5 4,-0.5 2,-0.2 -1,-0.2 0.868 115.2 43.7 -63.5 -36.5 32.5 -1.2 45.5 12 13 A E H >< S+ 0 0 81 -4,-1.9 3,-1.2 -5,-0.2 4,-0.4 0.927 111.1 54.2 -75.0 -43.7 31.1 2.3 46.1 13 14 A A H >< S+ 0 0 0 -4,-3.0 3,-2.0 1,-0.2 4,-0.3 0.858 98.2 62.9 -56.3 -40.8 27.8 1.7 44.3 14 15 A V G >< S+ 0 0 10 -4,-2.0 3,-1.2 1,-0.3 -1,-0.2 0.748 90.7 68.4 -62.0 -22.0 27.0 -1.5 46.4 15 16 A K G < S+ 0 0 123 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.699 88.9 65.2 -69.2 -22.3 26.8 0.7 49.5 16 17 A L G < S+ 0 0 53 -3,-2.0 -1,-0.3 -4,-0.4 2,-0.2 0.670 79.8 100.8 -72.6 -17.9 23.7 2.3 48.1 17 18 A V < - 0 0 0 -3,-1.2 2,-0.3 -4,-0.3 32,-0.0 -0.526 57.6-161.4 -74.7 134.4 21.7 -0.9 48.3 18 19 A K > - 0 0 126 -2,-0.2 3,-1.9 1,-0.1 -2,-0.1 -0.885 30.9 -89.4-113.6 151.1 19.4 -1.2 51.3 19 20 A D T 3 S+ 0 0 97 -2,-0.3 30,-0.2 1,-0.2 -1,-0.1 -0.256 112.5 27.7 -54.6 136.1 17.9 -4.4 52.8 20 21 A G T 3 S+ 0 0 54 28,-2.3 -1,-0.2 1,-0.3 29,-0.2 0.287 91.9 133.2 93.5 -8.5 14.5 -5.2 51.2 21 22 A M < - 0 0 37 -3,-1.9 29,-2.0 27,-0.0 2,-0.5 -0.348 53.8-138.0 -76.0 154.7 15.3 -3.6 47.9 22 23 A V E -a 50 0A 11 27,-0.2 56,-2.3 54,-0.1 57,-1.2 -0.978 29.2-157.6-106.1 122.1 14.8 -5.0 44.4 23 24 A I E -ab 51 79A 0 27,-2.9 29,-2.2 -2,-0.5 2,-0.4 -0.900 14.1-131.3-114.5 128.9 17.8 -4.1 42.4 24 25 A G E -ab 52 80A 0 55,-2.2 57,-2.5 -2,-0.5 2,-0.7 -0.652 23.5-144.4 -74.4 126.2 18.1 -3.8 38.6 25 26 A L E -ab 53 81A 0 27,-3.1 29,-1.8 -2,-0.4 30,-0.2 -0.858 16.1-153.0-105.7 110.2 21.2 -5.7 37.4 26 27 A G - 0 0 0 55,-1.5 2,-0.3 -2,-0.7 56,-0.2 0.074 9.5-116.3 -74.7-176.6 23.0 -4.1 34.5 27 28 A T + 0 0 8 27,-0.1 56,-0.7 56,-0.1 4,-0.3 -0.876 61.9 50.8-126.3 151.2 25.1 -5.6 31.7 28 29 A G S > S- 0 0 16 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 -0.374 95.3 -58.5 106.8 172.5 28.8 -5.2 30.8 29 30 A S H > S+ 0 0 44 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.867 131.5 45.3 -59.6 -42.0 32.1 -5.4 32.5 30 31 A T H > S+ 0 0 5 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.933 114.7 47.1 -70.8 -44.6 31.4 -2.6 35.1 31 32 A A H > S+ 0 0 0 -4,-0.3 4,-2.5 1,-0.2 -2,-0.2 0.886 107.5 59.4 -61.8 -37.6 27.9 -3.9 36.0 32 33 A A H X S+ 0 0 18 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.911 105.1 48.0 -56.0 -48.2 29.4 -7.5 36.2 33 34 A L H X S+ 0 0 35 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.892 110.8 52.5 -59.2 -39.4 31.8 -6.3 39.0 34 35 A F H X S+ 0 0 0 -4,-1.8 4,-3.0 2,-0.2 -2,-0.2 0.901 105.5 53.1 -62.0 -42.8 28.8 -4.7 40.7 35 36 A I H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.941 109.1 50.1 -61.1 -42.3 26.9 -7.9 40.6 36 37 A R H X S+ 0 0 88 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.951 112.2 47.4 -58.7 -48.2 29.8 -9.7 42.3 37 38 A E H X S+ 0 0 25 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.906 112.3 49.4 -61.1 -43.7 29.9 -7.0 45.0 38 39 A L H X S+ 0 0 0 -4,-3.0 4,-2.8 2,-0.2 -1,-0.2 0.917 110.9 48.8 -62.8 -45.7 26.2 -7.2 45.5 39 40 A G H X S+ 0 0 4 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.919 112.3 49.5 -58.7 -43.3 26.2 -11.0 45.8 40 41 A N H X S+ 0 0 75 -4,-2.6 4,-3.0 -5,-0.2 5,-0.2 0.921 112.1 47.8 -64.4 -43.4 29.1 -10.8 48.3 41 42 A R H X S+ 0 0 53 -4,-2.6 4,-2.2 1,-0.2 6,-0.3 0.907 109.5 52.4 -62.8 -42.6 27.2 -8.2 50.4 42 43 A I H X>S+ 0 0 18 -4,-2.8 5,-1.3 2,-0.2 4,-0.6 0.907 115.6 43.0 -59.8 -39.4 24.0 -10.2 50.4 43 44 A R H ><5S+ 0 0 159 -4,-2.0 3,-0.6 -5,-0.2 -2,-0.2 0.965 115.8 44.3 -70.5 -53.2 25.9 -13.2 51.6 44 45 A E H 3<5S+ 0 0 167 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.755 126.2 31.6 -71.5 -25.1 28.2 -11.5 54.3 45 46 A E H 3<5S- 0 0 100 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.361 101.7-125.7-109.9 0.8 25.3 -9.4 55.7 46 47 A E T <<5 + 0 0 169 -4,-0.6 -3,-0.2 -3,-0.6 2,-0.2 0.927 44.3 179.3 50.6 53.2 22.4 -11.8 55.1 47 48 A L < - 0 0 23 -5,-1.3 2,-0.9 -6,-0.3 -1,-0.2 -0.524 34.6-133.2 -81.1 151.4 20.3 -9.2 53.3 48 49 A T + 0 0 92 -2,-0.2 -28,-2.3 2,-0.0 2,-0.4 -0.882 53.1 145.0-101.7 91.4 16.9 -9.9 51.8 49 50 A V - 0 0 2 -2,-0.9 2,-0.3 -30,-0.2 -27,-0.2 -0.996 31.1-160.3-134.0 135.2 17.5 -8.3 48.4 50 51 A F E -a 22 0A 42 -29,-2.0 -27,-2.9 -2,-0.4 2,-0.3 -0.801 8.1-144.3-111.7 158.0 16.2 -9.5 45.0 51 52 A G E -ac 23 69A 0 17,-2.8 19,-2.8 -2,-0.3 -27,-0.2 -0.860 7.8-157.0-120.7 155.3 17.5 -8.7 41.5 52 53 A I E -a 24 0A 4 -29,-2.2 -27,-3.1 -2,-0.3 2,-0.2 -0.994 28.1-135.3-126.9 122.1 15.8 -8.1 38.1 53 54 A P E -a 25 0A 32 0, 0.0 -27,-0.2 0, 0.0 19,-0.1 -0.519 16.7-160.0 -82.8 150.5 18.2 -8.8 35.2 54 55 A T S S+ 0 0 1 -29,-1.8 51,-0.3 -2,-0.2 2,-0.3 0.311 79.5 5.1-100.3 -0.0 18.8 -6.6 32.0 55 56 A S S > S- 0 0 10 -30,-0.2 4,-2.1 49,-0.1 -1,-0.1 -0.980 79.5 -96.3-168.4 164.5 20.3 -9.6 30.1 56 57 A F H > S+ 0 0 37 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.841 124.1 59.4 -63.1 -30.6 21.1 -13.2 30.0 57 58 A E H > S+ 0 0 17 335,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.956 106.5 46.0 -56.8 -52.2 24.5 -12.2 31.2 58 59 A A H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.874 111.7 52.1 -61.0 -38.1 23.0 -10.5 34.3 59 60 A K H X S+ 0 0 27 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.946 111.2 46.3 -63.2 -47.4 20.9 -13.6 34.9 60 61 A M H X S+ 0 0 46 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.896 113.5 48.1 -62.4 -42.8 23.9 -15.9 34.7 61 62 A L H X S+ 0 0 27 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.912 109.3 53.3 -66.5 -40.1 26.0 -13.7 37.0 62 63 A A H <>S+ 0 0 0 -4,-2.3 5,-2.8 2,-0.2 4,-0.2 0.891 110.3 48.6 -57.7 -43.0 23.1 -13.4 39.5 63 64 A M H ><5S+ 0 0 51 -4,-2.1 3,-1.4 3,-0.2 -2,-0.2 0.960 111.7 49.6 -56.2 -53.0 23.0 -17.2 39.6 64 65 A Q H 3<5S+ 0 0 124 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.878 117.8 38.6 -59.2 -40.0 26.8 -17.4 40.0 65 66 A Y T 3<5S- 0 0 53 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.2 0.197 113.2-115.1-102.4 15.9 26.7 -14.9 42.9 66 67 A E T < 5 + 0 0 113 -3,-1.4 -3,-0.2 -4,-0.2 -4,-0.1 0.838 57.4 155.0 60.6 44.4 23.5 -16.2 44.5 67 68 A I < - 0 0 0 -5,-2.8 -1,-0.2 -6,-0.1 2,-0.2 -0.914 45.5-123.7 -99.1 118.3 21.3 -13.2 44.0 68 69 A P - 0 0 24 0, 0.0 -17,-2.8 0, 0.0 2,-0.4 -0.465 27.6-143.6 -64.7 129.1 17.6 -14.2 43.9 69 70 A L B +c 51 0A 3 -19,-0.2 454,-0.3 -2,-0.2 -17,-0.2 -0.820 23.0 172.2-102.9 131.9 15.9 -13.1 40.7 70 71 A V - 0 0 5 -19,-2.8 2,-0.4 -2,-0.4 452,-0.1 -0.522 31.7 -98.3-118.1-171.6 12.4 -11.8 40.3 71 72 A T >> - 0 0 31 450,-0.3 4,-2.1 -2,-0.2 3,-1.5 -0.884 7.9-135.6-122.8 144.8 10.6 -10.2 37.3 72 73 A L T 34 S+ 0 0 10 -2,-0.4 -1,-0.1 1,-0.3 748,-0.1 0.798 105.7 69.5 -64.4 -28.0 9.7 -6.7 36.4 73 74 A D T 34 S+ 0 0 1 1,-0.2 -1,-0.3 749,-0.1 3,-0.1 0.722 115.2 25.4 -63.7 -19.3 6.2 -7.9 35.5 74 75 A E T <4 S+ 0 0 39 -3,-1.5 2,-0.4 1,-0.2 -2,-0.2 0.670 124.4 40.2-110.7 -28.0 5.7 -8.4 39.3 75 76 A Y < - 0 0 67 -4,-2.1 -1,-0.2 0, 0.0 2,-0.2 -0.979 66.2-133.0-131.3 140.1 8.1 -6.0 41.0 76 77 A D - 0 0 69 -2,-0.4 2,-0.5 -3,-0.1 -54,-0.1 -0.512 33.7-112.8 -79.0 157.3 9.2 -2.4 40.6 77 78 A V - 0 0 3 34,-0.3 36,-3.0 -2,-0.2 37,-0.3 -0.830 19.5-165.5 -98.0 126.4 12.9 -1.7 40.8 78 79 A D S S+ 0 0 64 -56,-2.3 36,-1.2 -2,-0.5 2,-0.4 0.954 81.8 2.8 -69.7 -56.9 14.2 0.4 43.7 79 80 A I E -bd 23 114A 6 -57,-1.2 -55,-2.2 34,-0.2 2,-0.5 -0.989 65.4-158.9-135.5 127.4 17.6 1.1 42.2 80 81 A A E -bd 24 115A 0 34,-3.1 36,-3.2 -2,-0.4 2,-0.4 -0.932 9.5-163.6-100.9 129.4 18.9 -0.0 38.8 81 82 A F E +bd 25 116A 0 -57,-2.5 -55,-1.5 -2,-0.5 2,-0.3 -0.935 22.4 151.8-110.4 131.1 22.6 -0.1 38.3 82 83 A D E - d 0 117A 0 34,-1.9 36,-3.0 -2,-0.4 -54,-0.1 -0.988 34.9-121.1-154.6 160.3 24.1 -0.3 34.8 83 84 A G - 0 0 7 -56,-0.7 2,-0.3 -2,-0.3 36,-0.2 -0.247 21.2-149.0 -90.4-177.6 27.1 0.7 32.7 84 85 A A - 0 0 5 34,-0.4 12,-0.2 1,-0.1 3,-0.1 -0.983 21.6-143.1-152.6 151.3 27.4 2.9 29.6 85 86 A D S S+ 0 0 40 10,-2.3 2,-0.3 1,-0.3 11,-0.2 0.799 95.0 7.2 -77.8 -34.8 29.6 3.1 26.5 86 87 A E E -G 95 0B 7 9,-1.6 9,-1.7 2,-0.0 2,-0.4 -0.987 57.9-164.2-147.1 142.9 29.5 6.9 26.7 87 88 A V E -Gh 94 124B 0 36,-2.5 38,-2.9 -2,-0.3 2,-0.5 -0.991 24.4-135.9-124.9 117.4 28.3 9.5 29.2 88 89 A E E > - h 0 125B 20 5,-3.1 4,-2.6 -2,-0.4 5,-0.3 -0.657 15.8-138.5 -76.1 125.8 28.0 13.1 27.8 89 90 A E T 4 S+ 0 0 100 36,-3.1 -1,-0.1 -2,-0.5 37,-0.1 0.844 92.5 38.4 -56.7 -43.4 29.5 15.4 30.4 90 91 A T T 4 S+ 0 0 116 36,-0.3 -1,-0.2 35,-0.3 36,-0.1 0.847 129.8 26.2 -83.5 -26.9 27.0 18.3 30.3 91 92 A T T 4 S- 0 0 45 -3,-0.2 -2,-0.2 2,-0.1 -1,-0.2 0.632 88.8-132.2-108.0 -22.3 23.7 16.4 29.9 92 93 A L < + 0 0 9 -4,-2.6 -3,-0.1 1,-0.2 2,-0.1 0.603 53.7 153.0 59.6 19.6 24.5 13.0 31.4 93 94 A F - 0 0 37 -5,-0.3 -5,-3.1 114,-0.1 2,-0.3 -0.414 28.9-151.4 -66.5 152.7 22.9 11.5 28.3 94 95 A L E -GI 87 206B 0 112,-2.8 112,-2.4 -7,-0.2 2,-0.4 -0.886 22.4-145.7-122.9 157.5 24.3 8.0 27.4 95 96 A I E +GI 86 205B 0 -9,-1.7 -10,-2.3 -2,-0.3 -9,-1.6 -0.998 33.6 167.6-111.6 131.4 25.0 5.7 24.6 96 97 A K + 0 0 4 108,-2.4 -12,-0.1 -2,-0.4 6,-0.1 -0.844 38.6 75.0-130.4 168.1 24.5 2.1 25.7 97 98 A G > + 0 0 4 -2,-0.3 3,-2.0 37,-0.1 5,-0.1 0.514 44.3 129.8 103.2 6.6 24.2 -1.2 23.8 98 99 A G T 3 S+ 0 0 22 1,-0.3 -2,-0.1 -3,-0.1 -70,-0.1 0.899 85.2 47.3 -50.0 -39.9 27.9 -1.8 22.9 99 100 A G T 3 S- 0 0 18 292,-0.1 293,-2.6 -72,-0.1 -1,-0.3 0.258 120.7-112.3 -88.4 10.4 27.1 -5.3 24.3 100 101 A G S < S+ 0 0 1 -3,-2.0 72,-0.4 291,-0.2 3,-0.2 0.521 91.5 99.8 83.2 7.9 23.9 -5.7 22.4 101 102 A C > + 0 0 5 1,-0.1 4,-2.0 70,-0.1 5,-0.1 0.106 34.3 119.3-117.6 21.1 21.5 -5.5 25.4 102 103 A H H > + 0 0 0 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.762 69.0 62.1 -59.9 -32.6 20.2 -1.9 25.3 103 104 A T H > S+ 0 0 1 2,-0.2 4,-2.2 -3,-0.2 -1,-0.2 0.984 111.5 34.4 -61.8 -60.0 16.5 -2.9 24.8 104 105 A Q H > S+ 0 0 33 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.872 116.8 58.6 -60.7 -37.1 16.1 -4.9 28.1 105 106 A E H X S+ 0 0 5 -4,-2.0 4,-3.5 -51,-0.3 5,-0.3 0.942 108.1 44.4 -54.5 -49.3 18.4 -2.4 29.8 106 107 A K H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 5,-0.4 0.902 108.9 56.4 -66.9 -40.1 16.1 0.5 28.9 107 108 A I H X S+ 0 0 0 -4,-2.2 4,-0.6 -5,-0.2 -1,-0.2 0.930 119.4 32.5 -54.9 -47.0 13.0 -1.4 30.0 108 109 A V H X S+ 0 0 2 -4,-2.1 4,-0.9 2,-0.1 3,-0.3 0.949 121.5 47.3 -73.3 -51.5 14.6 -1.9 33.5 109 110 A D H >< S+ 0 0 1 -4,-3.5 3,-0.7 1,-0.3 -3,-0.2 0.891 111.7 45.9 -71.3 -43.2 16.6 1.3 33.8 110 111 A Y H 3< S+ 0 0 34 -4,-2.2 -1,-0.3 -5,-0.3 -3,-0.1 0.785 116.2 48.7 -68.3 -25.9 14.0 3.9 32.6 111 112 A N H 3< S+ 0 0 36 -4,-0.6 -34,-0.3 -5,-0.4 -1,-0.2 0.549 87.7 106.6 -91.7 -8.4 11.4 2.3 34.9 112 113 A A S << S- 0 0 12 -4,-0.9 3,-0.2 -3,-0.7 -34,-0.2 -0.330 75.9-127.6 -71.2 147.9 13.5 2.1 38.0 113 114 A N S S+ 0 0 134 -36,-3.0 2,-0.4 1,-0.3 -34,-0.2 0.925 103.2 17.8 -58.5 -43.3 12.8 4.4 40.9 114 115 A E E S-d 79 0A 51 -36,-1.2 -34,-3.1 -37,-0.3 2,-0.6 -0.994 72.8-162.0-131.7 127.5 16.5 5.4 40.8 115 116 A F E -d 80 0A 3 -2,-0.4 95,-2.1 -36,-0.2 96,-1.6 -0.942 11.3-172.6-110.8 114.8 18.7 4.6 37.8 116 117 A V E -de 81 211A 0 -36,-3.2 -34,-1.9 -2,-0.6 2,-0.4 -0.921 9.9-152.4-115.1 120.1 22.4 4.8 38.6 117 118 A V E -de 82 212A 0 94,-2.5 96,-3.2 -2,-0.5 2,-0.5 -0.769 7.0-155.1 -94.4 138.6 25.0 4.6 35.9 118 119 A L E + e 0 213A 0 -36,-3.0 -34,-0.4 -2,-0.4 2,-0.3 -0.963 27.2 149.2-115.9 119.1 28.4 3.1 36.7 119 120 A V E - 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