==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CHEMOTAXIS 16-MAY-97 1TMY . COMPND 2 MOLECULE: CHEY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR K.C.USHER,A.DE LA CRUZ,F.W.DAHLQUIST,S.J.REMINGTON . 118 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6509.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 91 77.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 18.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 8 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 45 38.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.7 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 0 1 0 3 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 3 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 G 0 0 75 0, 0.0 3,-0.0 0, 0.0 117,-0.0 0.000 360.0 360.0 360.0 32.6 -10.5 16.1 -1.6 2 3 A K + 0 0 85 24,-0.1 25,-3.2 116,-0.0 2,-0.5 0.283 360.0 112.5-139.2 4.2 -10.9 13.2 0.8 3 4 A R E -a 27 0A 82 23,-0.2 46,-2.4 43,-0.1 45,-1.8 -0.796 46.4-166.9 -93.8 130.4 -7.8 10.9 0.3 4 5 A V E -ab 28 49A 0 23,-2.5 25,-1.4 -2,-0.5 26,-1.1 -0.933 18.2-149.9-120.5 138.7 -5.4 10.9 3.1 5 6 A L E -ab 30 50A 0 44,-3.3 46,-3.0 -2,-0.4 2,-0.6 -0.916 18.5-154.3-112.1 117.4 -1.9 9.6 3.5 6 7 A I E -ab 31 51A 0 24,-1.8 26,-1.8 -2,-0.6 2,-0.5 -0.897 8.2-168.2 -99.0 125.0 -1.2 8.5 7.0 7 8 A V E +ab 32 52A 6 44,-3.2 46,-2.1 -2,-0.6 2,-0.3 -0.933 30.5 122.2-118.1 117.5 2.4 8.6 8.2 8 9 A D - 0 0 4 24,-1.8 26,-0.1 -2,-0.5 6,-0.1 -0.940 50.1-143.0-169.2 136.8 3.3 6.9 11.5 9 10 A D S S+ 0 0 64 -2,-0.3 2,-0.6 1,-0.1 24,-0.1 0.835 81.8 88.1 -76.7 -26.6 5.8 4.1 12.4 10 11 A A > - 0 0 41 1,-0.1 4,-1.8 -3,-0.1 3,-0.4 -0.648 67.4-153.5 -83.4 118.6 3.5 2.6 14.9 11 12 A A H > S+ 0 0 58 -2,-0.6 4,-2.7 1,-0.3 5,-0.2 0.819 93.6 50.7 -53.6 -45.9 1.1 0.1 13.4 12 13 A F H > S+ 0 0 120 2,-0.2 4,-3.3 1,-0.2 -1,-0.3 0.882 107.4 53.6 -62.3 -41.4 -1.6 0.6 16.0 13 14 A M H > S+ 0 0 38 -3,-0.4 4,-2.8 2,-0.2 5,-0.3 0.877 109.4 48.4 -63.8 -36.3 -1.6 4.3 15.5 14 15 A R H X S+ 0 0 27 -4,-1.8 4,-3.2 2,-0.2 5,-0.3 0.982 113.1 48.3 -65.7 -50.0 -2.1 3.8 11.8 15 16 A M H X S+ 0 0 110 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.907 114.5 47.3 -52.3 -49.7 -4.9 1.3 12.6 16 17 A M H X S+ 0 0 55 -4,-3.3 4,-2.2 2,-0.2 -1,-0.2 0.948 113.9 42.6 -60.2 -56.8 -6.4 3.7 14.9 17 18 A L H X S+ 0 0 4 -4,-2.8 4,-3.4 1,-0.2 5,-0.3 0.897 112.5 55.2 -59.9 -42.9 -6.2 6.9 12.8 18 19 A K H X S+ 0 0 86 -4,-3.2 4,-2.4 -5,-0.3 5,-0.3 0.906 106.0 53.5 -57.1 -40.2 -7.4 5.0 9.8 19 20 A D H X S+ 0 0 84 -4,-1.8 4,-2.6 -5,-0.3 -2,-0.2 0.977 112.1 42.4 -57.6 -53.1 -10.3 3.9 11.8 20 21 A I H X S+ 0 0 15 -4,-2.2 4,-1.4 1,-0.2 6,-0.2 0.932 113.2 53.3 -62.2 -42.9 -11.3 7.4 12.7 21 22 A I H <>S+ 0 0 0 -4,-3.4 5,-2.3 1,-0.2 -1,-0.2 0.888 110.8 45.9 -63.3 -42.8 -10.6 8.7 9.3 22 23 A T H ><5S+ 0 0 76 -4,-2.4 3,-1.8 -5,-0.3 -1,-0.2 0.878 108.3 56.1 -70.5 -34.0 -12.8 6.3 7.7 23 24 A K H 3<5S+ 0 0 169 -4,-2.6 -2,-0.2 -5,-0.3 -1,-0.2 0.808 103.6 55.3 -67.9 -21.5 -15.5 6.7 10.2 24 25 A A T 3<5S- 0 0 35 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.1 0.178 126.2 -97.8 -95.5 12.8 -15.7 10.4 9.4 25 26 A G T < 5S+ 0 0 58 -3,-1.8 -3,-0.2 1,-0.3 2,-0.1 0.477 84.4 121.2 86.9 6.3 -16.1 9.8 5.8 26 27 A Y < - 0 0 10 -5,-2.3 2,-0.4 -6,-0.2 -1,-0.3 -0.459 52.5-129.0 -96.5 172.4 -12.6 10.2 4.5 27 28 A E E -a 3 0A 122 -25,-3.2 -23,-2.5 -2,-0.1 2,-0.8 -0.942 10.8-124.7-128.4 147.4 -10.5 7.6 2.6 28 29 A V E -a 4 0A 37 -2,-0.4 -23,-0.2 -25,-0.2 3,-0.1 -0.844 18.6-175.2 -94.3 110.1 -7.0 6.2 3.1 29 30 A A E - 0 0 25 -25,-1.4 2,-0.3 -2,-0.8 -24,-0.2 0.777 65.0 -55.4 -69.7 -37.9 -4.9 6.6 0.1 30 31 A G E -a 5 0A 17 -26,-1.1 -24,-1.8 -3,-0.1 2,-0.3 -0.945 50.3-113.9 172.9-179.5 -2.1 4.7 1.7 31 32 A E E -a 6 0A 66 -2,-0.3 2,-0.3 -26,-0.2 -24,-0.2 -0.954 18.8-170.8-137.2 161.9 0.2 4.6 4.7 32 33 A A E -a 7 0A 1 -26,-1.8 -24,-1.8 -2,-0.3 3,-0.1 -0.940 21.5-144.6-150.0 156.2 3.9 5.1 5.3 33 34 A T S S+ 0 0 52 -2,-0.3 2,-0.3 -26,-0.2 -26,-0.1 0.499 79.3 15.6-104.1 -8.0 6.2 4.5 8.2 34 35 A N S > S- 0 0 50 -26,-0.1 4,-1.9 -25,-0.1 3,-0.2 -0.956 83.0 -94.3-155.3 173.2 8.7 7.4 7.8 35 36 A G H > S+ 0 0 9 24,-0.5 4,-2.7 -2,-0.3 5,-0.2 0.828 117.5 57.3 -60.0 -37.9 9.2 10.7 6.0 36 37 A R H > S+ 0 0 210 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.942 109.6 40.2 -60.4 -59.0 11.1 9.1 3.2 37 38 A E H > S+ 0 0 58 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.823 112.9 63.3 -55.1 -38.0 8.5 6.7 2.1 38 39 A A H X S+ 0 0 0 -4,-1.9 4,-2.8 1,-0.2 -2,-0.2 0.955 99.7 47.8 -55.0 -53.7 6.1 9.5 2.7 39 40 A V H X S+ 0 0 22 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.922 112.6 52.7 -59.3 -33.4 7.5 11.7 0.1 40 41 A E H X S+ 0 0 111 -4,-1.6 4,-1.7 -5,-0.2 -1,-0.2 0.922 109.2 44.3 -69.0 -44.4 7.4 8.8 -2.2 41 42 A K H X S+ 0 0 60 -4,-2.9 4,-3.5 2,-0.2 5,-0.5 0.851 108.4 60.8 -69.2 -30.5 3.8 7.9 -1.7 42 43 A Y H X S+ 0 0 11 -4,-2.8 4,-3.1 -5,-0.3 -1,-0.2 0.961 106.3 46.3 -56.6 -51.4 3.0 11.5 -1.9 43 44 A K H < S+ 0 0 140 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.859 118.5 40.5 -56.0 -46.5 4.4 11.5 -5.4 44 45 A E H < S+ 0 0 138 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.723 126.6 31.0 -78.1 -27.8 2.7 8.4 -6.5 45 46 A L H < S- 0 0 42 -4,-3.5 -2,-0.2 -5,-0.2 -3,-0.2 0.742 77.4-149.4-102.5 -31.7 -0.7 9.0 -4.9 46 47 A K < - 0 0 156 -4,-3.1 -43,-0.1 -5,-0.5 -4,-0.1 0.970 28.0-162.4 57.2 54.5 -1.2 12.8 -4.8 47 48 A P - 0 0 4 0, 0.0 29,-0.2 0, 0.0 -43,-0.2 -0.368 21.1-131.7 -64.9 155.0 -3.3 12.4 -1.5 48 49 A D S S+ 0 0 52 -45,-1.8 2,-0.4 1,-0.2 28,-0.3 0.770 88.4 18.6 -75.7 -33.4 -5.5 15.4 -0.6 49 50 A I E -b 4 0A 3 -46,-2.4 -44,-3.3 26,-0.1 2,-0.4 -0.999 66.1-155.4-140.4 153.1 -4.3 15.4 2.9 50 51 A V E -bc 5 77A 1 26,-3.1 28,-3.7 -2,-0.4 2,-0.5 -0.968 3.4-157.8-130.1 139.1 -1.4 14.1 4.8 51 52 A T E -bc 6 78A 5 -46,-3.0 -44,-3.2 -2,-0.4 2,-0.5 -0.982 16.3-170.0-113.7 129.7 -1.0 13.2 8.4 52 53 A M E -bc 7 79A 1 26,-2.8 28,-1.9 -2,-0.5 2,-0.2 -0.973 14.5-144.2-133.9 113.0 2.5 13.2 9.6 53 54 A D E + c 0 80A 16 -46,-2.1 28,-0.2 -2,-0.5 8,-0.0 -0.476 21.2 171.1 -68.8 133.6 3.6 12.0 13.0 54 55 A I + 0 0 8 26,-2.7 28,-0.2 -2,-0.2 27,-0.1 -0.034 41.9 114.4-133.7 30.2 6.5 14.0 14.5 55 56 A T S S+ 0 0 33 1,-0.2 26,-0.1 26,-0.1 27,-0.0 0.808 75.6 55.4 -73.9 -23.1 6.6 12.4 17.9 56 57 A M > - 0 0 68 1,-0.2 3,-2.0 2,-0.0 5,-0.4 -0.862 68.4-170.1-112.8 96.7 10.1 11.0 17.2 57 58 A P G > S+ 0 0 76 0, 0.0 3,-3.8 0, 0.0 5,-0.2 0.887 81.9 65.4 -55.8 -39.3 12.4 13.8 16.1 58 59 A E G 3 S+ 0 0 137 1,-0.3 -2,-0.0 2,-0.1 0, 0.0 0.675 91.2 69.1 -61.9 -10.1 15.2 11.5 15.0 59 60 A M G < S- 0 0 79 -3,-2.0 -24,-0.5 -25,-0.0 -1,-0.3 0.655 99.3-140.8 -83.5 -6.7 12.8 10.4 12.5 60 61 A N X> + 0 0 89 -3,-3.8 4,-1.6 -4,-0.2 3,-0.8 0.849 39.6 161.2 55.2 43.9 13.0 13.8 10.8 61 62 A G H 3> S+ 0 0 8 -5,-0.4 4,-2.4 1,-0.3 5,-0.1 0.814 70.2 65.2 -61.8 -27.9 9.4 14.2 9.9 62 63 A I H 3> S+ 0 0 28 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.865 98.3 48.6 -64.6 -36.4 10.1 17.9 9.5 63 64 A D H <> S+ 0 0 67 -3,-0.8 4,-2.6 2,-0.2 -1,-0.2 0.925 107.7 57.8 -71.3 -35.2 12.4 17.5 6.7 64 65 A A H X S+ 0 0 5 -4,-1.6 4,-2.5 1,-0.3 -2,-0.2 0.935 105.6 49.8 -59.1 -41.4 9.7 15.3 5.1 65 66 A I H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -1,-0.3 0.870 109.6 50.0 -62.8 -42.4 7.2 18.1 5.4 66 67 A K H X S+ 0 0 106 -4,-1.9 4,-1.2 2,-0.2 -1,-0.2 0.918 110.3 51.6 -67.7 -34.4 9.6 20.6 3.7 67 68 A E H >X S+ 0 0 76 -4,-2.6 4,-2.2 1,-0.2 3,-0.7 0.964 110.0 48.2 -62.5 -50.8 10.3 18.2 0.9 68 69 A I H 3X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.3 -1,-0.2 0.917 109.9 52.1 -53.9 -45.9 6.6 17.7 0.3 69 70 A M H 3< S+ 0 0 43 -4,-2.2 -1,-0.3 2,-0.2 -2,-0.2 0.730 108.1 52.9 -62.5 -28.5 5.9 21.4 0.3 70 71 A K H << S+ 0 0 165 -4,-1.2 -2,-0.2 -3,-0.7 -1,-0.2 0.976 115.4 39.3 -64.5 -57.3 8.7 21.8 -2.3 71 72 A I H < S+ 0 0 71 -4,-2.2 -2,-0.2 1,-0.3 -3,-0.2 0.662 136.0 19.7 -63.9 -23.8 7.1 19.2 -4.5 72 73 A D >< - 0 0 38 -4,-2.1 3,-2.2 -5,-0.2 -1,-0.3 -0.560 61.0-173.7-156.4 86.4 3.7 20.5 -3.8 73 74 A P T 3 S+ 0 0 84 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.721 90.2 52.3 -52.6 -26.0 3.3 24.0 -2.4 74 75 A N T 3 S+ 0 0 129 2,-0.1 -5,-0.1 -5,-0.0 2,-0.0 0.047 79.8 138.5-102.1 25.0 -0.4 23.5 -1.9 75 76 A A < - 0 0 3 -3,-2.2 2,-0.6 -7,-0.1 -26,-0.1 -0.419 47.2-140.1 -67.3 149.4 0.0 20.3 0.1 76 77 A K + 0 0 82 -28,-0.3 -26,-3.1 -29,-0.2 2,-0.5 -0.955 29.5 171.5-118.4 103.9 -2.3 19.8 3.2 77 78 A I E -c 50 0A 0 -2,-0.6 21,-2.7 19,-0.3 22,-0.9 -0.975 18.6-166.9-118.6 136.7 -0.5 18.3 6.0 78 79 A I E -cd 51 99A 1 -28,-3.7 -26,-2.8 -2,-0.5 2,-0.3 -0.969 18.9-139.1-118.0 134.0 -1.5 17.8 9.6 79 80 A V E -cd 52 100A 0 20,-2.2 22,-2.3 -2,-0.5 2,-0.4 -0.740 3.5-148.2 -98.5 139.4 1.1 16.9 12.2 80 81 A C E +cd 53 101A 2 -28,-1.9 -26,-2.7 -2,-0.3 2,-0.3 -0.863 29.3 162.1 -99.9 132.5 0.6 14.4 15.0 81 82 A S E - d 0 102A 1 20,-1.2 22,-3.2 -2,-0.4 2,-0.2 -0.834 31.4-112.7-145.5 174.1 2.5 15.1 18.1 82 83 A A > - 0 0 32 -2,-0.3 3,-1.6 20,-0.2 2,-0.1 -0.637 48.8 -71.2-111.9 170.6 2.5 14.1 21.7 83 84 A M T 3 S+ 0 0 154 20,-0.4 -1,-0.1 1,-0.2 19,-0.0 -0.430 119.7 20.8 -58.7 130.7 1.8 16.0 24.8 84 85 A G T 3 S+ 0 0 51 -2,-0.1 3,-0.3 -3,-0.0 -1,-0.2 0.436 85.9 114.9 87.0 6.9 4.6 18.6 25.5 85 86 A Q <> + 0 0 32 -3,-1.6 4,-1.9 1,-0.2 3,-0.5 -0.155 29.9 137.3-102.5 39.6 6.0 18.8 21.9 86 87 A Q H > + 0 0 129 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.770 65.7 50.3 -48.8 -45.1 5.0 22.4 21.5 87 88 A A H > S+ 0 0 66 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.860 109.9 48.8 -73.0 -36.1 8.2 23.6 19.8 88 89 A M H > S+ 0 0 59 -3,-0.5 4,-3.2 2,-0.2 5,-0.2 0.836 109.8 55.5 -65.2 -38.7 8.4 20.8 17.1 89 90 A V H X S+ 0 0 16 -4,-1.9 4,-2.7 2,-0.2 5,-0.3 0.979 107.3 48.2 -59.0 -48.0 4.8 21.6 16.5 90 91 A I H X S+ 0 0 92 -4,-2.3 4,-3.1 1,-0.2 5,-0.2 0.951 111.1 50.0 -56.8 -49.9 5.8 25.2 15.9 91 92 A E H X S+ 0 0 87 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.921 109.6 51.9 -48.0 -55.8 8.6 24.2 13.6 92 93 A A H <>S+ 0 0 0 -4,-3.2 5,-2.3 1,-0.2 4,-0.5 0.914 111.2 46.6 -55.7 -38.4 6.3 22.0 11.7 93 94 A I H ><5S+ 0 0 67 -4,-2.7 3,-1.3 -5,-0.2 -1,-0.2 0.919 109.7 51.9 -71.4 -41.0 3.9 24.8 11.2 94 95 A K H 3<5S+ 0 0 152 -4,-3.1 -1,-0.2 -5,-0.3 -2,-0.2 0.868 105.5 59.5 -59.1 -32.9 6.5 27.2 10.2 95 96 A A T 3<5S- 0 0 21 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.565 132.9 -86.7 -70.8 -12.2 7.5 24.5 7.7 96 97 A G T < 5S+ 0 0 20 -3,-1.3 -19,-0.3 -4,-0.5 -3,-0.2 0.359 77.7 145.0 121.7 -5.9 4.1 24.6 6.0 97 98 A A < - 0 0 5 -5,-2.3 -1,-0.3 -6,-0.2 -19,-0.2 -0.376 41.8-145.9 -60.5 136.5 2.0 22.1 8.1 98 99 A K - 0 0 137 -21,-2.7 2,-0.3 1,-0.1 -20,-0.2 0.815 63.2 -26.9 -78.0 -29.6 -1.6 23.4 8.2 99 100 A D E -d 78 0A 46 -22,-0.9 -20,-2.2 -7,-0.0 2,-0.3 -0.937 60.1-112.8-169.0-179.6 -2.5 22.2 11.8 100 101 A F E -d 79 0A 98 -2,-0.3 2,-0.3 -22,-0.2 -20,-0.2 -0.990 6.2-160.4-142.4 158.6 -1.9 19.7 14.5 101 102 A I E -d 80 0A 14 -22,-2.3 -20,-1.2 -2,-0.3 2,-0.4 -0.845 21.5-144.2-127.5 143.6 -3.6 16.8 16.3 102 103 A V E -d 81 0A 53 -2,-0.3 4,-0.3 -22,-0.2 -20,-0.2 -0.980 28.0 -96.2-117.1 130.4 -2.2 15.7 19.7 103 104 A K S S+ 0 0 27 -22,-3.2 -20,-0.4 -2,-0.4 2,-0.1 -0.540 104.3 62.2 -82.5 162.4 -2.0 12.1 20.9 104 105 A P S S- 0 0 107 0, 0.0 -2,-0.2 0, 0.0 2,-0.0 0.469 103.9-125.4 -54.2 132.2 -3.7 10.2 22.6 105 106 A F - 0 0 28 -2,-0.1 -2,-0.1 -4,-0.1 3,-0.1 -0.353 16.9-150.7 -64.2 144.7 -6.0 11.1 19.7 106 107 A Q >> - 0 0 116 -4,-0.3 3,-2.4 1,-0.1 4,-2.1 -0.922 15.5-138.9-110.6 106.2 -9.4 12.5 20.4 107 108 A P H 3> S+ 0 0 79 0, 0.0 4,-2.2 0, 0.0 5,-0.3 0.788 97.8 49.0 -34.0 -47.6 -11.8 11.5 17.6 108 109 A S H 3> S+ 0 0 86 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.793 108.8 53.8 -72.3 -25.6 -13.6 14.8 17.3 109 110 A R H <> S+ 0 0 164 -3,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.907 108.4 49.0 -75.9 -36.3 -10.5 16.7 17.2 110 111 A V H >X S+ 0 0 3 -4,-2.1 4,-3.4 2,-0.2 3,-0.8 0.977 112.0 47.1 -61.2 -53.0 -9.1 14.7 14.4 111 112 A V H 3X S+ 0 0 41 -4,-2.2 4,-2.7 1,-0.3 -1,-0.2 0.916 110.3 55.2 -59.8 -35.6 -12.3 15.0 12.3 112 113 A E H 3X S+ 0 0 87 -4,-1.6 4,-2.5 -5,-0.3 -1,-0.3 0.856 108.7 48.0 -64.4 -32.1 -12.3 18.6 13.1 113 114 A A H < S+ 0 0 86 -4,-2.7 3,-1.3 -5,-0.4 -1,-0.2 0.970 108.5 47.4 -65.6 -52.9 -12.4 19.2 8.2 116 117 A K H 3< S+ 0 0 149 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.932 106.8 59.1 -54.1 -42.2 -10.7 22.6 8.6 117 118 A V H 3< 0 0 17 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.696 360.0 360.0 -65.1 -17.6 -7.9 21.6 6.3 118 119 A S << 0 0 76 -3,-1.3 -116,-0.0 -4,-0.8 -69,-0.0 -0.364 360.0 360.0 -84.8 360.0 -10.3 21.0 3.4