==== 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 SIGNALING PROTEIN 14-JUL-04 1U0S . COMPND 2 MOLECULE: CHEMOTAXIS PROTEIN CHEY; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR S.Y.PARK,B.D.BEEL,M.I.SIMON,A.M.BILWES,B.R.CRANE . 204 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10521.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 152 74.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 10.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 23 11.3 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 . 16 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 67 32.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.0 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 1 0 0 0 2 0 3 0 1 1 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 1 1 0 1 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 1 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 Y G 0 0 78 0, 0.0 25,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 1.6 48.7 58.9 -4.4 2 3 Y K + 0 0 112 2,-0.0 25,-2.7 46,-0.0 2,-0.5 0.061 360.0 129.2-125.4 23.3 52.4 59.7 -4.3 3 4 Y R E -a 27 0A 76 23,-0.2 46,-2.2 43,-0.1 45,-2.0 -0.717 38.2-163.4 -88.8 125.0 52.7 61.9 -1.3 4 5 Y V E -ab 28 49A 0 23,-2.9 25,-2.6 -2,-0.5 26,-1.4 -0.887 16.5-151.2-114.8 136.8 55.3 61.0 1.3 5 6 Y L E -ab 30 50A 0 44,-2.6 46,-2.5 -2,-0.4 2,-0.6 -0.917 21.2-151.8-101.2 119.0 55.8 62.0 4.9 6 7 Y I E -ab 31 51A 0 24,-2.4 26,-2.7 -2,-0.6 2,-0.6 -0.842 11.7-171.7 -98.9 120.9 59.6 61.9 5.7 7 8 Y V E +ab 32 52A 6 44,-2.3 46,-1.9 -2,-0.6 2,-0.3 -0.925 28.6 124.8-116.4 111.5 60.5 61.2 9.3 8 9 Y D - 0 0 7 24,-2.3 6,-0.1 -2,-0.6 26,-0.1 -0.915 53.9-136.5-165.0 134.7 64.2 61.5 10.3 9 10 Y D S S+ 0 0 88 -2,-0.3 2,-0.5 4,-0.1 -1,-0.1 0.866 86.3 78.5 -59.7 -40.2 66.1 63.5 12.9 10 11 Y A > - 0 0 37 1,-0.1 4,-2.0 2,-0.0 5,-0.2 -0.617 65.8-154.8 -82.1 123.3 68.9 64.5 10.5 11 12 Y A H > S+ 0 0 64 -2,-0.5 4,-1.9 1,-0.2 -1,-0.1 0.864 97.1 53.0 -60.4 -37.4 68.2 67.4 8.1 12 13 Y F H > S+ 0 0 129 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.898 107.3 51.6 -66.4 -39.0 70.8 66.0 5.6 13 14 Y M H > S+ 0 0 42 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.893 110.0 48.5 -65.5 -39.4 69.2 62.6 5.6 14 15 Y R H X S+ 0 0 34 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.875 109.2 54.9 -67.3 -35.7 65.8 64.1 4.9 15 16 Y M H X S+ 0 0 115 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.892 106.7 49.3 -64.0 -42.8 67.4 66.1 2.0 16 17 Y M H X S+ 0 0 61 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.903 113.4 47.3 -65.2 -36.4 68.8 63.0 0.4 17 18 Y L H X S+ 0 0 2 -4,-1.8 4,-2.9 2,-0.2 -2,-0.2 0.892 109.6 52.8 -71.7 -39.1 65.4 61.3 0.6 18 19 Y K H X S+ 0 0 63 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.884 108.7 51.3 -62.3 -40.3 63.6 64.4 -0.8 19 20 Y D H X S+ 0 0 71 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.952 112.7 44.2 -62.0 -49.2 66.0 64.4 -3.7 20 21 Y I H X S+ 0 0 14 -4,-1.9 4,-1.8 1,-0.2 6,-0.2 0.936 113.6 51.5 -61.4 -46.8 65.3 60.7 -4.5 21 22 Y I H <>S+ 0 0 1 -4,-2.9 5,-2.5 1,-0.2 -1,-0.2 0.904 111.9 45.9 -57.0 -46.4 61.6 61.1 -4.0 22 23 Y T H ><5S+ 0 0 93 -4,-2.4 3,-1.5 1,-0.2 -1,-0.2 0.920 113.0 48.2 -64.1 -49.0 61.4 64.1 -6.4 23 24 Y K H 3<5S+ 0 0 162 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.783 108.5 57.2 -63.5 -27.1 63.5 62.4 -9.1 24 25 Y A T 3<5S- 0 0 30 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.348 121.4-103.9 -86.9 4.2 61.4 59.3 -8.8 25 26 Y G T < 5S+ 0 0 58 -3,-1.5 -3,-0.2 1,-0.3 2,-0.1 0.556 85.1 115.3 86.5 6.2 58.1 61.1 -9.6 26 27 Y Y < - 0 0 14 -5,-2.5 2,-0.3 -6,-0.2 -1,-0.3 -0.445 55.7-130.3 -98.9 174.6 56.8 61.1 -6.0 27 28 Y E E -a 3 0A 117 -25,-2.7 -23,-2.9 -2,-0.1 2,-0.8 -0.966 13.5-115.4-133.1 151.9 56.2 64.2 -3.9 28 29 Y V E -a 4 0A 43 -2,-0.3 -23,-0.2 -25,-0.2 3,-0.1 -0.743 23.9-178.3 -83.9 110.2 57.1 65.4 -0.4 29 30 Y A E - 0 0 17 -25,-2.6 2,-0.3 -2,-0.8 -24,-0.2 0.863 63.2 -67.8 -72.8 -37.6 53.9 65.8 1.7 30 31 Y G E -a 5 0A 15 -26,-1.4 -24,-2.4 -3,-0.1 -1,-0.3 -0.974 49.2-107.4 169.8-173.4 56.0 67.0 4.6 31 32 Y E E -a 6 0A 51 -2,-0.3 2,-0.3 -26,-0.2 -24,-0.2 -0.971 13.1-163.3-146.1 157.5 58.6 66.1 7.1 32 33 Y A E -a 7 0A 1 -26,-2.7 -24,-2.3 -2,-0.3 3,-0.1 -0.979 14.0-155.3-137.9 149.5 59.0 65.4 10.8 33 34 Y T S S+ 0 0 53 -2,-0.3 2,-0.3 -26,-0.2 -26,-0.1 0.544 81.2 22.5-100.6 -12.8 62.2 65.2 13.0 34 35 Y N S > S- 0 0 52 -26,-0.1 4,-1.7 -25,-0.1 -1,-0.1 -0.933 82.8-103.0-147.2 169.8 60.6 62.9 15.7 35 36 Y G H > S+ 0 0 14 24,-0.6 4,-1.9 -2,-0.3 5,-0.1 0.794 116.1 54.9 -66.8 -33.8 57.9 60.3 16.2 36 37 Y R H > S+ 0 0 182 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.940 112.4 43.8 -64.9 -47.8 55.5 62.7 18.1 37 38 Y E H > S+ 0 0 48 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.839 108.1 61.3 -66.4 -31.7 55.7 65.2 15.2 38 39 Y A H X S+ 0 0 0 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.939 104.6 46.5 -60.4 -48.2 55.3 62.3 12.7 39 40 Y V H X S+ 0 0 25 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.855 113.5 49.2 -62.2 -38.4 51.9 61.3 14.2 40 41 Y E H X S+ 0 0 118 -4,-1.5 4,-2.0 1,-0.2 -2,-0.2 0.927 112.8 46.8 -67.5 -44.6 50.7 65.0 14.2 41 42 Y K H X S+ 0 0 66 -4,-2.8 4,-3.0 1,-0.2 5,-0.4 0.824 107.2 58.7 -67.2 -31.1 51.9 65.4 10.6 42 43 Y Y H X S+ 0 0 15 -4,-2.2 4,-1.7 -5,-0.2 -1,-0.2 0.920 108.1 45.2 -64.2 -44.1 50.2 62.2 9.5 43 44 Y K H < S+ 0 0 124 -4,-1.6 -2,-0.2 2,-0.2 -1,-0.2 0.921 121.1 38.0 -65.2 -44.9 46.8 63.4 10.7 44 45 Y E H < S+ 0 0 162 -4,-2.0 -2,-0.2 1,-0.1 -3,-0.2 0.883 124.8 35.8 -77.3 -37.9 47.2 66.9 9.1 45 46 Y L H < S- 0 0 42 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.731 83.8-152.4 -88.6 -25.1 48.9 65.9 5.8 46 47 Y K < - 0 0 148 -4,-1.7 -4,-0.1 -5,-0.4 -43,-0.1 0.947 24.5-166.4 50.3 57.9 47.2 62.6 5.2 47 48 Y P - 0 0 6 0, 0.0 -43,-0.2 0, 0.0 29,-0.2 -0.269 27.3-139.0 -74.1 159.4 50.2 61.2 3.3 48 49 Y D S S+ 0 0 58 -45,-2.0 28,-0.4 1,-0.2 2,-0.3 0.823 88.3 23.4 -83.5 -33.3 50.0 58.0 1.1 49 50 Y I E -b 4 0A 1 -46,-2.2 -44,-2.6 26,-0.1 2,-0.4 -0.963 64.2-159.4-136.9 148.1 53.4 56.8 2.3 50 51 Y V E -bc 5 77A 0 26,-2.4 28,-3.2 -2,-0.3 2,-0.5 -0.990 6.6-154.9-128.6 134.2 55.6 57.4 5.4 51 52 Y T E -bc 6 78A 4 -46,-2.5 -44,-2.3 -2,-0.4 2,-0.5 -0.961 18.7-166.4-107.2 124.8 59.4 56.8 5.6 52 53 Y M E -bc 7 79A 1 26,-2.7 28,-2.8 -2,-0.5 2,-0.3 -0.936 12.4-144.8-120.9 112.5 60.3 56.1 9.2 53 54 Y D E + c 0 80A 12 -46,-1.9 28,-0.2 -2,-0.5 8,-0.1 -0.540 24.8 166.8 -73.1 131.3 63.9 56.2 10.5 54 55 Y I + 0 0 15 26,-2.7 27,-0.1 -2,-0.3 -1,-0.1 0.128 44.1 109.4-128.8 16.9 64.6 53.6 13.2 55 56 Y T S S+ 0 0 35 25,-0.5 26,-0.1 1,-0.2 -1,-0.0 0.773 76.2 55.9 -65.3 -26.6 68.4 53.8 13.2 56 57 Y M > - 0 0 56 1,-0.1 3,-1.8 2,-0.0 5,-0.4 -0.884 68.1-166.3-112.2 102.3 68.4 55.5 16.6 57 58 Y P G > S+ 0 0 109 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.827 88.2 62.5 -54.6 -36.1 66.5 53.5 19.2 58 59 Y E G 3 S+ 0 0 155 1,-0.3 -2,-0.0 2,-0.1 0, 0.0 0.780 94.5 62.9 -61.8 -25.9 66.4 56.5 21.6 59 60 Y M G < S- 0 0 69 -3,-1.8 -24,-0.6 -25,-0.0 -1,-0.3 0.601 100.3-140.1 -74.3 -16.5 64.3 58.3 19.0 60 61 Y N <> + 0 0 77 -3,-1.7 4,-1.3 -4,-0.4 3,-0.4 0.852 39.6 162.3 59.6 45.2 61.6 55.6 19.4 61 62 Y G H > S+ 0 0 6 -5,-0.4 4,-1.6 1,-0.2 5,-0.1 0.830 71.2 63.2 -62.5 -30.1 60.6 55.2 15.7 62 63 Y I H > S+ 0 0 37 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.897 101.3 49.5 -62.4 -41.0 58.9 51.9 16.6 63 64 Y D H > S+ 0 0 71 -3,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.870 108.1 53.6 -66.2 -36.9 56.4 53.6 18.9 64 65 Y A H X S+ 0 0 3 -4,-1.3 4,-2.4 2,-0.2 -1,-0.2 0.834 105.8 54.8 -65.6 -32.8 55.5 56.2 16.2 65 66 Y I H X S+ 0 0 0 -4,-1.6 4,-2.8 2,-0.2 -2,-0.2 0.962 109.5 45.9 -64.6 -49.2 54.8 53.3 13.8 66 67 Y K H X S+ 0 0 107 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.881 113.1 50.1 -61.3 -39.9 52.3 51.8 16.3 67 68 Y E H X S+ 0 0 65 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.911 111.9 47.4 -66.1 -41.9 50.7 55.2 16.9 68 69 Y I H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.914 109.5 53.9 -66.4 -38.4 50.4 55.8 13.1 69 70 Y M H < S+ 0 0 36 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.834 107.9 51.2 -63.4 -33.3 49.0 52.3 12.7 70 71 Y K H < S+ 0 0 141 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.891 111.4 46.6 -69.1 -42.0 46.3 53.2 15.3 71 72 Y I H < S+ 0 0 62 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.899 135.1 11.0 -65.7 -40.8 45.4 56.4 13.5 72 73 Y D >< - 0 0 45 -4,-2.8 3,-1.9 -5,-0.2 -1,-0.3 -0.870 59.3-167.1-145.6 104.2 45.2 54.5 10.2 73 74 Y P T 3 S+ 0 0 93 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.676 94.4 55.3 -65.3 -14.0 45.3 50.7 10.0 74 75 Y N T 3 S+ 0 0 127 2,-0.1 -5,-0.1 -5,-0.0 0, 0.0 0.250 78.1 136.2-102.2 13.4 46.0 51.1 6.3 75 76 Y A < - 0 0 0 -3,-1.9 2,-0.6 -7,-0.2 -26,-0.1 -0.247 49.5-139.6 -60.2 146.3 49.0 53.3 6.6 76 77 Y K + 0 0 73 -28,-0.4 -26,-2.4 -29,-0.2 2,-0.5 -0.911 26.7 179.2-114.8 102.3 52.0 52.4 4.4 77 78 Y I E -c 50 0A 0 -2,-0.6 21,-2.3 19,-0.3 22,-1.3 -0.901 17.2-164.1-112.1 129.4 55.2 52.8 6.2 78 79 Y I E -cd 51 99A 3 -28,-3.2 -26,-2.7 -2,-0.5 2,-0.3 -0.952 21.2-140.0-109.0 121.1 58.7 52.1 4.9 79 80 Y V E -cd 52 100A 1 20,-2.8 22,-2.5 -2,-0.6 2,-0.6 -0.612 4.8-147.4 -84.1 140.7 61.3 51.7 7.7 80 81 Y C E +cd 53 101A 2 -28,-2.8 -26,-2.7 -2,-0.3 -25,-0.5 -0.953 31.8 163.8-108.7 116.4 64.8 53.3 7.2 81 82 Y S E - d 0 102A 0 20,-2.6 22,-3.2 -2,-0.6 2,-0.3 -0.614 30.0-124.5-124.5-175.4 67.5 51.2 9.0 82 83 Y A > - 0 0 32 20,-0.2 3,-1.5 -2,-0.2 19,-0.0 -0.773 46.8 -70.8-125.2 169.0 71.2 50.6 9.3 83 84 Y M T 3 S+ 0 0 109 20,-0.3 -1,-0.1 -2,-0.3 52,-0.0 -0.265 118.1 27.8 -60.5 145.0 73.4 47.6 8.9 84 85 Y G T 3 S+ 0 0 53 1,-0.1 3,-0.3 -3,-0.1 -1,-0.2 0.455 89.9 107.9 82.1 2.0 73.0 45.1 11.8 85 86 Y Q <> + 0 0 18 -3,-1.5 4,-2.4 1,-0.2 5,-0.2 0.005 28.8 123.9-101.9 30.8 69.5 46.1 12.6 86 87 Y Q H > S+ 0 0 42 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.877 74.6 53.0 -57.8 -37.3 67.6 43.0 11.3 87 88 Y A H > S+ 0 0 72 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.919 110.8 45.7 -64.3 -44.5 65.9 42.4 14.6 88 89 Y M H > S+ 0 0 65 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.896 113.1 50.8 -65.4 -41.1 64.6 46.0 14.8 89 90 Y V H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.952 110.1 48.4 -62.3 -48.7 63.4 45.9 11.2 90 91 Y I H X S+ 0 0 34 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.907 112.1 50.9 -58.0 -40.3 61.6 42.6 11.8 91 92 Y E H X S+ 0 0 96 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.879 109.4 50.1 -64.4 -39.9 60.0 44.1 14.9 92 93 Y A H <>S+ 0 0 1 -4,-2.4 5,-2.4 2,-0.2 4,-0.3 0.888 109.0 51.7 -67.0 -38.9 58.9 47.2 12.9 93 94 Y I H ><5S+ 0 0 4 -4,-2.5 3,-1.4 1,-0.2 -2,-0.2 0.899 108.4 50.8 -64.1 -41.4 57.3 45.0 10.2 94 95 Y K H 3<5S+ 0 0 141 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.827 105.8 57.5 -65.6 -29.8 55.4 43.0 12.9 95 96 Y A T 3<5S- 0 0 23 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.528 136.9 -82.5 -76.2 -9.9 54.2 46.4 14.2 96 97 Y G T < 5S+ 0 0 17 -3,-1.4 -19,-0.3 1,-0.3 -3,-0.2 0.264 80.6 141.5 129.2 -14.9 52.7 47.2 10.8 97 98 Y A < - 0 0 3 -5,-2.4 -1,-0.3 1,-0.1 -19,-0.2 -0.312 37.7-153.6 -60.0 142.7 55.6 48.5 8.6 98 99 Y K - 0 0 113 -21,-2.3 2,-0.3 1,-0.2 -20,-0.2 0.782 63.9 -14.4 -89.5 -31.1 55.3 47.3 5.0 99 100 Y D E -d 78 0A 6 -22,-1.3 -20,-2.8 95,-0.1 2,-0.3 -0.920 58.9-132.9-160.0 178.5 59.0 47.3 3.9 100 101 Y F E -d 79 0A 1 -2,-0.3 2,-0.3 -22,-0.3 -20,-0.2 -0.990 5.0-162.4-148.0 154.3 62.4 48.6 4.7 101 102 Y I E -d 80 0A 10 -22,-2.5 -20,-2.6 -2,-0.3 2,-0.4 -0.902 21.3-131.4-129.4 157.9 65.4 50.4 3.1 102 103 Y V E -d 81 0A 11 -2,-0.3 4,-0.3 -22,-0.2 -20,-0.2 -0.954 31.6 -86.0-122.0 134.7 69.0 50.5 4.5 103 104 Y K S S+ 0 0 27 -22,-3.2 -20,-0.3 -2,-0.4 2,-0.1 -0.465 102.8 56.9 -77.1 147.4 71.3 53.5 4.9 104 105 Y P S S- 0 0 104 0, 0.0 -2,-0.2 0, 0.0 -22,-0.0 0.525 102.1-115.5 -69.4 143.5 73.2 54.9 3.1 105 106 Y F - 0 0 25 -2,-0.1 -2,-0.1 -4,-0.1 3,-0.1 -0.238 24.9-161.3 -55.9 124.9 70.3 55.5 0.7 106 107 Y Q >> - 0 0 71 -4,-0.3 4,-2.1 1,-0.1 3,-1.1 -0.958 14.8-144.1-107.4 109.6 70.7 53.7 -2.7 107 108 Y P H 3> S+ 0 0 75 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.855 96.1 53.9 -42.3 -47.0 68.2 55.5 -5.0 108 109 Y S H 3> S+ 0 0 87 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.873 111.2 46.8 -60.5 -35.8 67.2 52.4 -7.0 109 110 Y R H <> S+ 0 0 48 -3,-1.1 4,-2.3 2,-0.2 -1,-0.2 0.904 112.8 48.2 -72.4 -42.9 66.3 50.6 -3.7 110 111 Y V H X S+ 0 0 5 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.916 111.7 51.6 -63.7 -41.9 64.3 53.5 -2.4 111 112 Y V H X S+ 0 0 42 -4,-2.9 4,-2.6 -5,-0.2 -2,-0.2 0.919 110.6 46.7 -62.8 -44.0 62.5 53.8 -5.7 112 113 Y E H X S+ 0 0 50 -4,-2.0 4,-3.0 -5,-0.2 -1,-0.2 0.903 111.1 52.5 -66.7 -37.4 61.5 50.2 -5.7 113 114 Y A H X S+ 0 0 1 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.924 111.3 46.6 -62.6 -45.5 60.4 50.4 -2.1 114 115 Y L H X S+ 0 0 2 -4,-2.5 4,-0.8 2,-0.2 -2,-0.2 0.940 115.3 46.4 -60.9 -48.4 58.2 53.4 -2.9 115 116 Y N H >< S+ 0 0 80 -4,-2.6 3,-0.6 1,-0.2 -2,-0.2 0.921 114.1 47.7 -60.6 -45.6 56.8 51.7 -6.0 116 117 Y K H 3< S+ 0 0 72 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.822 104.1 57.6 -68.7 -34.2 56.1 48.3 -4.2 117 118 Y V H 3< 0 0 16 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.743 360.0 360.0 -69.6 -19.4 54.4 49.8 -1.2 118 119 Y S << 0 0 91 -4,-0.8 -2,-0.2 -3,-0.6 -3,-0.1 0.930 360.0 360.0 -91.2 360.0 51.9 51.3 -3.6 119 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 120 175 A G 0 0 128 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 54.7 42.0 20.8 -2.2 121 176 A F - 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