==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-OCT-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 13-AUG-13 4M8L . COMPND 2 MOLECULE: RIBOSE-5-PHOSPHATE ISOMERASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: FRANCISELLA TULARENSIS; . AUTHOR R.ROSTANKOWSKI,D.BOREK,M.ORLIKOWSKA,C.NAKKA,S.GRIMSHAW,Z.OTW . 872 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37412.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 650 74.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 112 12.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 114 13.1 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 . 12 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 75 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 105 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 204 23.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 0 0 0 16 4 0 0 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 0 4 0 12 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 8 8 4 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 8 0 0 2 0 0 0 0 0 0 1 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 0 201 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -39.9 42.7 -0.8 10.8 2 6 A K H > + 0 0 144 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.819 360.0 49.9 -75.8 -33.0 45.0 1.7 12.5 3 7 A N H > S+ 0 0 135 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.852 110.9 51.1 -70.5 -36.7 46.7 -1.0 14.6 4 8 A N H > S+ 0 0 124 2,-0.2 4,-1.5 1,-0.2 3,-0.3 0.935 110.9 46.9 -61.5 -49.5 47.1 -3.1 11.4 5 9 A Q H X S+ 0 0 59 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.899 108.0 56.8 -61.7 -41.9 48.8 -0.1 9.6 6 10 A D H X S+ 0 0 63 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.839 104.2 54.0 -56.8 -35.9 51.0 0.5 12.6 7 11 A E H X S+ 0 0 121 -4,-1.3 4,-1.8 -3,-0.3 -1,-0.2 0.901 109.1 46.7 -66.1 -43.0 52.3 -3.1 12.4 8 12 A L H X S+ 0 0 20 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.880 110.2 53.7 -66.9 -40.0 53.3 -2.7 8.8 9 13 A K H X S+ 0 0 19 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.911 109.0 48.8 -58.8 -45.1 55.0 0.7 9.5 10 14 A K H X S+ 0 0 96 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.874 110.5 51.4 -62.9 -39.9 57.1 -1.0 12.3 11 15 A L H X S+ 0 0 65 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.928 111.7 46.2 -62.3 -46.9 58.0 -3.8 9.9 12 16 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.916 115.1 46.6 -63.0 -45.2 59.2 -1.4 7.2 13 17 A A H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.905 112.1 49.8 -64.1 -45.8 61.2 0.7 9.7 14 18 A T H X S+ 0 0 44 -4,-2.5 4,-0.8 1,-0.2 -1,-0.2 0.897 111.0 50.6 -60.0 -42.5 62.8 -2.3 11.3 15 19 A E H >< S+ 0 0 62 -4,-2.2 3,-0.9 1,-0.2 4,-0.3 0.916 108.5 51.4 -62.9 -44.9 63.8 -3.6 7.9 16 20 A A H >< S+ 0 0 0 -4,-2.2 3,-1.9 1,-0.2 -1,-0.2 0.865 100.2 64.1 -59.8 -38.6 65.4 -0.3 6.9 17 21 A A H >< S+ 0 0 0 -4,-1.9 3,-2.1 1,-0.3 -1,-0.2 0.776 87.2 70.8 -57.8 -29.1 67.4 -0.2 10.1 18 22 A K T << S+ 0 0 120 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.736 84.6 69.6 -60.8 -23.7 69.3 -3.4 8.9 19 23 A S T < S+ 0 0 46 -3,-1.9 2,-1.6 -4,-0.3 3,-0.3 0.587 72.4 94.4 -71.1 -11.9 71.0 -1.1 6.3 20 24 A I < + 0 0 3 -3,-2.1 -1,-0.1 1,-0.2 27,-0.1 -0.658 48.7 140.2 -78.0 86.7 72.9 0.5 9.2 21 25 A T + 0 0 99 -2,-1.6 -1,-0.2 26,-0.1 2,-0.2 0.805 55.0 31.7-102.5 -39.8 75.9 -1.8 8.8 22 26 A T S S- 0 0 87 -3,-0.3 2,-0.7 25,-0.0 25,-0.0 -0.531 101.4 -70.5-113.4 177.6 79.0 0.4 9.3 23 27 A E S S+ 0 0 132 -2,-0.2 2,-0.3 25,-0.1 25,-0.2 -0.649 73.4 159.6 -72.1 113.0 79.9 3.4 11.4 24 28 A I E -a 48 0A 14 23,-2.0 25,-1.8 -2,-0.7 26,-1.3 -0.825 53.6-108.1-134.9 163.3 77.9 6.2 9.7 25 29 A T E -a 50 0A 14 -2,-0.3 54,-1.6 24,-0.2 55,-1.5 -0.913 46.4-155.1 -87.6 113.2 76.4 9.7 9.9 26 30 A L E -ab 51 80A 0 24,-2.8 26,-2.4 -2,-0.7 2,-0.4 -0.810 8.2-154.2 -97.0 133.4 72.7 8.8 10.1 27 31 A G E -ab 52 81A 0 53,-3.4 55,-2.2 -2,-0.4 2,-0.5 -0.916 12.8-151.8-104.0 133.0 70.0 11.2 8.9 28 32 A V E -ab 53 82A 0 24,-3.0 26,-2.1 -2,-0.4 27,-0.2 -0.916 5.5-153.2-115.5 127.2 66.5 10.8 10.5 29 33 A G - 0 0 0 53,-2.6 2,-0.3 -2,-0.5 25,-0.3 0.326 19.4-104.3 -74.5-154.1 63.2 11.7 8.9 30 34 A T + 0 0 14 24,-0.1 54,-0.7 54,-0.1 4,-0.2 -0.956 60.2 53.9-139.9 152.8 59.9 12.7 10.4 31 35 A G S > S- 0 0 30 -2,-0.3 4,-1.5 1,-0.1 -2,-0.0 -0.538 88.0 -60.1 118.2-179.8 56.5 11.0 10.9 32 36 A S H > S+ 0 0 60 2,-0.2 4,-1.1 1,-0.2 -1,-0.1 0.879 129.4 50.5 -70.9 -40.5 54.8 8.0 12.5 33 37 A T H > S+ 0 0 2 1,-0.2 4,-0.8 2,-0.2 3,-0.5 0.904 112.8 47.4 -64.2 -42.3 56.6 5.4 10.3 34 38 A V H > S+ 0 0 0 1,-0.2 4,-2.7 -4,-0.2 3,-0.4 0.816 100.6 68.5 -64.7 -33.2 59.9 7.1 11.2 35 39 A G H X S+ 0 0 11 -4,-1.5 4,-1.4 1,-0.3 -1,-0.2 0.857 99.4 48.6 -54.3 -37.3 58.8 7.1 14.9 36 40 A F H X S+ 0 0 34 -4,-1.1 4,-1.4 -3,-0.5 -1,-0.3 0.756 109.5 53.3 -75.1 -26.0 59.1 3.3 14.8 37 41 A L H X S+ 0 0 0 -4,-0.8 4,-1.7 -3,-0.4 -2,-0.2 0.940 104.9 53.7 -68.5 -50.1 62.6 3.6 13.3 38 42 A I H < S+ 0 0 4 -4,-2.7 4,-0.3 1,-0.2 3,-0.2 0.876 109.1 49.4 -51.6 -43.5 63.7 6.0 16.1 39 43 A E H >< S+ 0 0 121 -4,-1.4 3,-1.0 1,-0.2 -1,-0.2 0.893 110.0 51.2 -61.9 -41.8 62.6 3.3 18.6 40 44 A E H >< S+ 0 0 40 -4,-1.4 3,-1.9 1,-0.2 -2,-0.2 0.748 90.6 79.8 -67.3 -25.1 64.5 0.6 16.7 41 45 A L G >< S+ 0 0 0 -4,-1.7 3,-1.6 1,-0.3 -1,-0.2 0.651 73.2 76.7 -63.1 -17.3 67.7 2.8 16.7 42 46 A V G X S+ 0 0 55 -3,-1.0 3,-0.9 -4,-0.3 -1,-0.3 0.829 91.1 56.5 -57.9 -31.8 68.5 1.7 20.3 43 47 A N G < S+ 0 0 115 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.417 109.6 44.6 -82.7 0.9 69.7 -1.6 18.8 44 48 A Y G X> S+ 0 0 47 -3,-1.6 4,-1.2 -4,-0.1 3,-1.0 -0.010 72.9 125.1-128.5 28.7 72.2 0.1 16.5 45 49 A R T <4 S+ 0 0 99 -3,-0.9 3,-0.2 1,-0.3 -2,-0.1 0.823 71.8 52.6 -62.8 -35.7 73.7 2.6 19.0 46 50 A D T 34 S+ 0 0 144 1,-0.2 -1,-0.3 -4,-0.1 -2,-0.1 0.677 109.1 50.7 -74.5 -19.9 77.3 1.5 18.4 47 51 A K T <4 S+ 0 0 88 -3,-1.0 -23,-2.0 1,-0.1 2,-1.0 0.722 92.2 82.8 -86.2 -25.6 77.0 2.0 14.6 48 52 A I E < +a 24 0A 15 -4,-1.2 -23,-0.1 -25,-0.2 3,-0.1 -0.710 47.0 166.7 -90.0 100.4 75.6 5.5 14.7 49 53 A K E S+ 0 0 142 -25,-1.8 2,-0.3 -2,-1.0 -24,-0.2 0.910 70.6 12.4 -77.1 -46.5 78.5 8.0 15.1 50 54 A T E -a 25 0A 26 -26,-1.3 -24,-2.8 17,-0.0 2,-0.4 -0.997 66.5-154.2-136.1 139.4 76.5 11.1 14.3 51 55 A V E -ac 26 69A 3 17,-0.6 19,-3.0 -2,-0.3 2,-0.4 -0.944 6.5-170.9-114.9 134.5 72.7 11.8 14.0 52 56 A V E -a 27 0A 1 -26,-2.4 -24,-3.0 -2,-0.4 2,-0.4 -0.970 13.0-151.1-120.6 139.4 71.1 14.6 11.9 53 57 A S E -a 28 0A 9 -2,-0.4 19,-0.2 17,-0.3 -24,-0.2 -0.911 17.7-155.0-118.9 139.0 67.4 15.3 12.3 54 58 A S S S+ 0 0 0 -26,-2.1 2,-0.3 -2,-0.4 50,-0.3 0.455 82.2 26.1 -86.4 -3.8 65.0 16.7 9.7 55 59 A S > - 0 0 2 -27,-0.2 4,-2.5 -26,-0.2 5,-0.1 -0.995 69.4-124.0-157.3 153.2 62.7 18.1 12.5 56 60 A E H > S+ 0 0 79 -2,-0.3 4,-2.9 2,-0.2 5,-0.2 0.813 114.2 60.6 -64.4 -31.3 62.5 19.4 16.1 57 61 A D H > S+ 0 0 59 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.961 110.1 38.8 -58.2 -53.9 59.9 16.7 16.6 58 62 A S H > S+ 0 0 2 2,-0.2 4,-3.1 1,-0.2 -2,-0.2 0.864 114.0 55.7 -65.3 -38.1 62.4 13.9 15.7 59 63 A T H X S+ 0 0 13 -4,-2.5 4,-3.0 2,-0.2 5,-0.2 0.938 107.4 49.5 -57.5 -50.7 65.2 15.8 17.5 60 64 A R H X S+ 0 0 160 -4,-2.9 4,-1.7 1,-0.2 -2,-0.2 0.907 113.7 46.7 -51.5 -46.1 63.1 15.7 20.7 61 65 A K H X S+ 0 0 81 -4,-1.9 4,-0.8 2,-0.2 -2,-0.2 0.910 113.4 47.7 -67.0 -44.1 62.4 12.0 20.2 62 66 A L H ><>S+ 0 0 0 -4,-3.1 5,-2.2 1,-0.2 3,-1.0 0.934 111.7 49.2 -62.5 -48.4 66.1 11.2 19.5 63 67 A K H ><5S+ 0 0 131 -4,-3.0 3,-1.5 1,-0.3 -1,-0.2 0.819 104.6 60.3 -61.7 -32.9 67.4 13.2 22.5 64 68 A A H 3<5S+ 0 0 84 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.756 104.1 50.3 -65.9 -25.7 64.8 11.4 24.7 65 69 A L T <<5S- 0 0 60 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.180 127.3-100.4 -95.7 15.2 66.5 8.1 23.8 66 70 A G T < 5S+ 0 0 51 -3,-1.5 2,-0.4 1,-0.3 -3,-0.2 0.499 75.7 142.8 83.8 5.1 69.9 9.5 24.7 67 71 A F < - 0 0 13 -5,-2.2 2,-0.4 -6,-0.2 -1,-0.3 -0.670 48.0-134.7 -82.3 127.7 71.0 10.3 21.1 68 72 A D - 0 0 136 -2,-0.4 -17,-0.6 -5,-0.0 2,-0.5 -0.684 19.8-147.5 -75.7 131.3 73.1 13.5 20.6 69 73 A V B -c 51 0A 36 -2,-0.4 2,-0.4 -19,-0.1 -17,-0.2 -0.906 10.3-157.9-107.2 129.8 71.7 15.4 17.6 70 74 A V - 0 0 40 -19,-3.0 -17,-0.3 -2,-0.5 5,-0.0 -0.866 21.9-110.5-112.3 138.1 74.2 17.4 15.5 71 75 A D >> - 0 0 92 -2,-0.4 4,-1.8 -19,-0.1 3,-1.1 -0.325 27.7-120.3 -61.5 145.4 73.4 20.3 13.2 72 76 A L H 3> S+ 0 0 6 1,-0.3 4,-2.3 2,-0.2 -1,-0.1 0.792 111.0 61.6 -61.0 -30.7 73.8 19.6 9.4 73 77 A N H 34 S+ 0 0 37 1,-0.2 -1,-0.3 2,-0.2 4,-0.0 0.790 112.6 36.0 -65.9 -30.7 76.5 22.3 9.1 74 78 A Y H <4 S+ 0 0 208 -3,-1.1 -2,-0.2 1,-0.1 -1,-0.2 0.662 116.5 53.7 -93.4 -23.6 78.8 20.5 11.6 75 79 A A H < S- 0 0 22 -4,-1.8 2,-0.9 1,-0.2 -2,-0.2 0.849 85.6-169.5 -76.7 -37.8 77.9 17.0 10.4 76 80 A G < + 0 0 20 -4,-2.3 2,-0.4 -5,-0.2 -1,-0.2 -0.740 55.1 17.7 88.4-102.3 78.7 17.8 6.8 77 81 A E S S- 0 0 101 -2,-0.9 2,-0.4 -4,-0.0 35,-0.2 -0.890 70.4-135.3-113.5 135.6 77.5 14.9 4.6 78 82 A I E - d 0 112A 0 33,-1.9 35,-2.7 -2,-0.4 36,-0.2 -0.732 7.7-162.8 -89.1 133.7 74.9 12.3 5.6 79 83 A D E S+ 0 0 51 -54,-1.6 35,-0.8 -2,-0.4 2,-0.4 0.904 79.2 13.5 -78.7 -45.1 75.8 8.7 4.6 80 84 A L E -bd 26 114A 12 -55,-1.5 -53,-3.4 33,-0.2 2,-0.5 -0.992 62.9-169.6-139.0 127.8 72.2 7.4 5.0 81 85 A Y E -bd 27 115A 0 33,-2.4 35,-2.6 -2,-0.4 2,-0.5 -0.976 6.9-168.5-117.1 126.1 68.9 9.2 5.4 82 86 A I E +bd 28 116A 0 -55,-2.2 -53,-2.6 -2,-0.5 2,-0.3 -0.967 20.3 148.6-118.8 128.2 65.8 7.3 6.3 83 87 A D E - d 0 117A 0 33,-1.9 35,-2.2 -2,-0.5 -52,-0.1 -0.970 37.2-118.8-153.0 159.1 62.3 8.9 6.0 84 88 A G - 0 0 5 -54,-0.7 2,-0.3 -2,-0.3 35,-0.2 -0.131 24.6-148.6 -85.4-171.0 58.6 8.2 5.4 85 89 A A - 0 0 4 33,-0.4 11,-0.2 1,-0.1 3,-0.1 -0.974 21.4-139.4-159.5 152.8 56.5 9.6 2.6 86 90 A D S S+ 0 0 38 9,-2.4 2,-0.3 1,-0.3 10,-0.2 0.820 93.8 4.8 -83.0 -34.7 52.8 10.5 2.0 87 91 A E E -N 95 0B 9 8,-1.7 8,-1.9 43,-0.0 2,-0.3 -0.988 59.5-170.5-145.8 152.4 52.8 9.0 -1.5 88 92 A C E -No 94 124B 1 35,-2.0 37,-2.4 -2,-0.3 6,-0.2 -0.960 12.0-161.8-143.5 123.4 55.3 7.0 -3.6 89 93 A N > - 0 0 10 4,-2.2 3,-0.7 -2,-0.3 37,-0.2 0.109 43.7 -77.9 -88.0-157.3 54.7 6.3 -7.3 90 94 A N T 3 S+ 0 0 86 36,-0.5 36,-0.1 1,-0.2 37,-0.1 0.649 126.5 50.9 -82.2 -16.5 56.3 3.6 -9.7 91 95 A H T 3 S- 0 0 135 2,-0.1 -1,-0.2 129,-0.0 3,-0.1 -0.008 119.0-102.6-109.2 26.3 59.6 5.5 -10.2 92 96 A K S < S+ 0 0 56 -3,-0.7 113,-2.1 1,-0.2 2,-0.4 0.775 73.8 146.1 57.4 31.6 60.3 6.1 -6.4 93 97 A E - 0 0 23 111,-0.2 -4,-2.2 109,-0.0 2,-0.3 -0.851 32.6-154.5 -99.5 135.3 59.1 9.8 -6.7 94 98 A L E -NP 88 200B 0 106,-2.1 106,-3.0 -2,-0.4 2,-0.5 -0.722 26.4-145.1-116.5 153.1 57.4 11.0 -3.5 95 99 A I E +NP 87 199B 0 -8,-1.9 -9,-2.4 -2,-0.3 -8,-1.7 -0.989 38.7 166.2-104.8 129.4 54.9 13.4 -2.1 96 100 A K + 0 0 4 102,-2.5 -11,-0.1 -2,-0.5 6,-0.0 -0.898 34.3 80.1-137.1 164.9 56.1 14.5 1.4 97 101 A G > + 0 0 3 -2,-0.3 3,-1.8 36,-0.1 5,-0.2 0.461 45.2 128.3 112.6 5.9 55.3 17.2 3.9 98 102 A G T 3 S+ 0 0 28 1,-0.3 -67,-0.1 -3,-0.1 -2,-0.0 0.813 85.2 42.8 -57.9 -32.9 52.1 15.8 5.5 99 103 A G T 3 S- 0 0 57 -69,-0.1 -1,-0.3 0, 0.0 -68,-0.1 -0.010 117.5-114.8-103.8 24.9 53.9 16.4 8.9 100 104 A A S < S+ 0 0 19 -3,-1.8 3,-0.4 1,-0.1 65,-0.2 0.289 89.0 105.5 73.5 -5.4 55.2 19.8 7.9 101 105 A A > + 0 0 8 1,-0.2 4,-2.2 2,-0.1 5,-0.2 0.163 38.1 122.6 -93.3 21.9 59.0 19.1 7.9 102 106 A L H > + 0 0 0 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.756 65.8 55.5 -62.8 -30.5 59.3 19.0 4.1 103 107 A T H > S+ 0 0 0 -3,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.982 114.5 36.4 -65.8 -57.6 62.0 21.7 3.8 104 108 A R H > S+ 0 0 44 -50,-0.3 4,-2.4 1,-0.2 -2,-0.2 0.798 115.0 58.3 -67.5 -29.0 64.6 20.2 6.1 105 109 A E H X S+ 0 0 8 -4,-2.2 4,-1.8 -51,-0.2 -1,-0.2 0.884 108.4 45.5 -63.7 -39.8 63.6 16.7 4.8 106 110 A K H X S+ 0 0 17 -4,-1.8 4,-2.1 -5,-0.2 -2,-0.2 0.867 111.7 51.5 -73.7 -36.8 64.4 17.8 1.3 107 111 A I H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.917 110.1 50.0 -62.3 -45.4 67.7 19.4 2.5 108 112 A C H < S+ 0 0 0 -4,-2.4 4,-0.3 1,-0.2 -2,-0.2 0.895 110.6 49.3 -60.7 -42.1 68.6 16.1 4.3 109 113 A V H >< S+ 0 0 4 -4,-1.8 3,-0.9 1,-0.2 -1,-0.2 0.886 109.9 52.2 -63.2 -40.0 67.9 14.1 1.1 110 114 A A H 3< S+ 0 0 13 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.854 113.4 42.9 -65.0 -36.9 70.0 16.5 -0.9 111 115 A A T 3< S+ 0 0 8 -4,-1.9 -33,-1.9 -5,-0.1 2,-0.4 0.333 97.2 99.9 -91.4 6.0 73.0 16.1 1.4 112 116 A A E < -d 78 0A 6 -3,-0.9 -33,-0.2 -4,-0.3 3,-0.1 -0.783 62.7-150.6-100.1 135.4 72.6 12.3 1.7 113 117 A K E S+ 0 0 128 -35,-2.7 2,-0.4 -2,-0.4 -33,-0.2 0.891 91.5 17.1 -61.2 -41.3 74.7 9.8 -0.2 114 118 A K E -d 80 0A 86 -35,-0.8 -33,-2.4 -36,-0.2 2,-0.5 -0.999 67.1-159.1-139.3 136.5 71.7 7.4 -0.0 115 119 A F E -d 81 0A 0 -2,-0.4 91,-1.9 -35,-0.2 92,-1.7 -0.968 7.5-170.1-118.9 117.2 68.0 8.0 0.7 116 120 A I E -de 82 207A 1 -35,-2.6 -33,-1.9 -2,-0.5 2,-0.4 -0.934 8.9-155.2-105.1 127.2 65.8 5.0 1.9 117 121 A C E -de 83 208A 0 90,-2.8 92,-3.0 -2,-0.5 2,-0.5 -0.881 3.7-156.7-104.7 131.8 62.1 5.6 2.0 118 122 A I E + e 0 209A 0 -35,-2.2 -33,-0.4 -2,-0.4 2,-0.3 -0.938 25.5 152.4-113.9 120.4 59.9 3.5 4.4 119 123 A I E - 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