==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 17-MAR-08 3CKV . COMPND 2 MOLECULE: PUTATIVE UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM PARATUBERCULOSIS; . AUTHOR Z.MARLAND,J.ROSSJOHN . 300 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13417.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 195 65.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 9.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 25 8.3 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 21 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 71 23.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.3 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 2 1 0 1 3 0 1 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 2 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 PARALLEL BRIDGES PER LADDER . 2 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 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 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 15 A G > 0 0 53 0, 0.0 3,-0.9 0, 0.0 15,-0.1 0.000 360.0 360.0 360.0 -96.8 30.5 5.0 21.8 2 16 A L T 3 + 0 0 81 1,-0.2 3,-0.3 3,-0.1 9,-0.0 0.262 360.0 71.2 -73.8 6.8 27.9 5.3 19.0 3 17 A R T 3 S+ 0 0 247 1,-0.2 -1,-0.2 0, 0.0 2,-0.2 0.618 112.7 23.3 -88.6 -19.8 28.5 1.5 19.1 4 18 A D S < S+ 0 0 120 -3,-0.9 2,-0.4 2,-0.0 -1,-0.2 -0.699 84.4 158.8-147.9 88.6 26.6 1.4 22.4 5 19 A T - 0 0 46 -3,-0.3 -3,-0.1 -2,-0.2 14,-0.0 -0.966 16.9-166.4-130.1 133.1 24.2 4.3 23.0 6 20 A R > - 0 0 30 -2,-0.4 3,-2.8 223,-0.0 2,-0.5 -0.892 42.4 -93.9-105.9 161.3 21.1 4.7 25.3 7 21 A P T 3 S+ 0 0 72 0, 0.0 223,-0.2 0, 0.0 149,-0.0 -0.330 126.0 34.9 -59.2 103.9 18.2 7.2 25.6 8 22 A G T 3 S+ 0 0 3 221,-2.2 222,-0.1 -2,-0.5 133,-0.0 -0.143 87.8 122.4 135.7 -42.0 20.2 9.3 28.2 9 23 A D < - 0 0 6 -3,-2.8 220,-2.4 10,-0.1 -1,-0.4 -0.264 48.8-146.8 -58.4 139.5 23.9 8.9 27.0 10 24 A T E -AB 18 228A 9 8,-3.0 8,-1.9 218,-0.2 2,-0.6 -0.899 2.6-152.4-110.8 135.1 25.9 12.1 26.1 11 25 A W E -AB 17 227A 44 216,-2.7 216,-1.8 -2,-0.4 6,-0.2 -0.950 17.9-158.7-103.1 121.5 28.5 12.4 23.4 12 26 A L > - 0 0 59 4,-3.0 3,-1.2 -2,-0.6 214,-0.1 -0.410 31.6 -99.9 -93.0 175.4 31.2 15.0 24.1 13 27 A A T 3 S+ 0 0 28 1,-0.3 210,-0.1 210,-0.2 209,-0.1 0.743 118.6 60.9 -68.3 -28.0 33.5 16.9 21.6 14 28 A D T 3 S- 0 0 117 2,-0.1 -1,-0.3 209,-0.1 3,-0.1 0.105 121.0-105.9 -85.3 21.6 36.5 14.6 22.4 15 29 A R S < S+ 0 0 66 -3,-1.2 2,-0.3 1,-0.2 -2,-0.1 0.625 80.8 133.8 58.1 19.5 34.4 11.6 21.1 16 30 A S - 0 0 47 -15,-0.1 -4,-3.0 1,-0.0 -1,-0.2 -0.737 43.6-142.3 -97.4 147.9 34.0 10.4 24.7 17 31 A W E -A 11 0A 60 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.614 10.9-158.8-108.8 162.9 30.6 9.3 26.2 18 32 A N E -A 10 0A 81 -8,-1.9 -8,-3.0 -2,-0.2 -10,-0.0 -0.963 4.7-161.6-140.3 124.8 28.7 9.6 29.4 19 33 A R - 0 0 124 -2,-0.3 -10,-0.1 -10,-0.2 -11,-0.0 -0.931 35.4-122.9-103.2 106.8 25.8 7.3 30.5 20 34 A P - 0 0 31 0, 0.0 -11,-0.1 0, 0.0 -2,-0.0 -0.179 26.4-173.1 -56.7 134.5 24.0 9.3 33.3 21 35 A G + 0 0 81 2,-0.1 2,-0.2 0, 0.0 -2,-0.0 -0.153 50.5 105.0-120.7 34.4 23.7 7.7 36.7 22 36 A W - 0 0 53 3,-0.0 2,-0.4 4,-0.0 119,-0.0 -0.689 61.4-129.9-109.2 164.1 21.4 10.4 38.3 23 37 A T >> - 0 0 71 -2,-0.2 4,-2.2 1,-0.1 3,-0.7 -0.823 34.8-109.0-104.7 154.4 17.7 10.8 39.2 24 38 A V H 3> S+ 0 0 43 -2,-0.4 4,-1.6 1,-0.2 5,-0.1 0.865 125.0 54.2 -36.8 -43.6 15.6 13.8 38.2 25 39 A A H 3> S+ 0 0 65 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.868 106.0 49.2 -63.4 -41.6 15.8 14.7 42.0 26 40 A E H <> S+ 0 0 109 -3,-0.7 4,-1.0 2,-0.2 -1,-0.2 0.781 108.2 55.1 -68.6 -28.5 19.6 14.5 42.0 27 41 A L H X S+ 0 0 3 -4,-2.2 4,-0.6 2,-0.2 -2,-0.2 0.859 105.4 52.4 -69.9 -38.3 19.7 16.8 38.9 28 42 A E H >< S+ 0 0 84 -4,-1.6 3,-1.0 -5,-0.2 4,-0.4 0.898 107.1 52.2 -62.3 -43.4 17.6 19.3 40.8 29 43 A A H 3< S+ 0 0 83 -4,-1.7 3,-0.4 1,-0.2 -1,-0.2 0.778 104.9 57.4 -62.8 -27.4 20.1 19.2 43.7 30 44 A A H 3< S+ 0 0 40 -4,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.628 83.2 85.5 -78.9 -16.5 22.9 19.9 41.1 31 45 A K X< - 0 0 16 -3,-1.0 3,-0.7 -4,-0.6 -1,-0.2 0.899 69.5-169.1 -51.3 -49.6 21.3 23.1 39.9 32 46 A A T 3 S- 0 0 86 -4,-0.4 3,-0.1 -3,-0.4 -3,-0.1 0.952 73.3 -35.5 56.2 61.0 22.9 25.1 42.7 33 47 A G T 3 S+ 0 0 78 1,-0.3 2,-0.4 0, 0.0 -1,-0.2 0.452 108.3 126.7 73.4 -0.2 21.0 28.4 42.4 34 48 A R < - 0 0 76 -3,-0.7 -1,-0.3 84,-0.1 2,-0.2 -0.772 51.4-143.5 -84.0 133.4 20.8 28.1 38.6 35 49 A T - 0 0 49 -2,-0.4 85,-1.9 82,-0.1 84,-0.5 -0.666 5.2-142.9 -98.6 155.0 17.2 28.4 37.3 36 50 A I E -c 120 0A 0 -2,-0.2 29,-2.2 82,-0.2 30,-1.3 -0.976 11.9-170.5-123.6 125.1 15.7 26.4 34.4 37 51 A S E -cd 121 66A 0 83,-3.0 85,-2.9 -2,-0.5 2,-0.4 -0.918 8.0-156.5-108.5 139.4 13.2 27.7 31.8 38 52 A V E -cd 122 67A 0 28,-2.5 30,-2.9 -2,-0.4 2,-0.5 -0.977 11.7-167.1-112.4 131.7 11.4 25.5 29.3 39 53 A V E -cd 123 68A 0 83,-3.2 85,-1.9 -2,-0.4 30,-0.2 -0.976 9.2-168.4-123.0 125.3 10.2 27.2 26.1 40 54 A L E - d 0 69A 0 28,-2.8 30,-1.9 -2,-0.5 2,-0.2 -0.927 14.1-150.0-112.5 105.3 7.7 25.6 23.6 41 55 A P E - d 0 70A 11 0, 0.0 85,-1.0 0, 0.0 2,-0.4 -0.564 23.5-173.8 -72.0 135.6 7.5 27.7 20.4 42 56 A A E + d 0 71A 1 28,-2.4 30,-3.1 -2,-0.2 2,-0.4 -0.968 26.9 170.0-142.3 122.1 4.0 27.2 18.9 43 57 A L S S- 0 0 90 -2,-0.4 28,-0.1 28,-0.2 30,-0.0 -0.931 84.7 -28.7-122.7 107.3 2.2 28.2 15.7 44 58 A D S S+ 0 0 65 -2,-0.4 3,-0.1 1,-0.1 -1,-0.1 0.966 86.0 142.3 56.1 65.2 -1.2 26.5 15.4 45 59 A E >> + 0 0 52 1,-0.1 4,-2.2 2,-0.1 3,-0.7 -0.182 7.9 139.5-129.4 40.4 -0.5 23.3 17.3 46 60 A E T 34 S+ 0 0 56 1,-0.2 4,-0.4 2,-0.2 -1,-0.1 0.723 70.4 55.2 -57.2 -26.6 -3.8 22.7 19.2 47 61 A D T 34 S+ 0 0 134 -3,-0.1 4,-0.2 1,-0.1 -1,-0.2 0.851 120.2 24.0 -78.6 -34.9 -3.7 18.9 18.6 48 62 A T T <> S+ 0 0 27 -3,-0.7 4,-1.8 2,-0.1 3,-0.2 0.698 98.9 82.5-106.6 -24.2 -0.3 18.2 20.1 49 63 A I H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 5,-0.2 0.760 88.2 54.0 -66.4 -31.6 0.5 21.0 22.6 50 64 A G H > S+ 0 0 17 -4,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.951 110.3 49.2 -63.1 -50.1 -1.4 19.6 25.6 51 65 A S H > S+ 0 0 48 -4,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.870 109.6 51.1 -52.1 -46.4 0.5 16.3 25.3 52 66 A V H X S+ 0 0 0 -4,-1.8 4,-1.0 74,-0.2 3,-0.3 0.934 112.3 46.4 -62.1 -46.3 3.9 18.0 25.1 53 67 A I H >X S+ 0 0 0 -4,-2.1 4,-4.4 1,-0.2 3,-0.8 0.916 106.8 58.5 -61.0 -44.9 3.1 20.1 28.2 54 68 A D H 3< S+ 0 0 95 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.823 103.5 53.7 -55.1 -33.7 1.9 17.0 30.1 55 69 A S H 3< S+ 0 0 13 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.828 121.5 29.4 -68.5 -33.7 5.3 15.4 29.5 56 70 A I H X< S+ 0 0 5 -4,-1.0 3,-2.6 -3,-0.8 4,-0.4 0.764 98.6 89.2 -98.3 -34.2 7.1 18.3 31.1 57 71 A S G >< S+ 0 0 45 -4,-4.4 3,-1.7 1,-0.3 -3,-0.1 0.741 80.3 58.7 -30.1 -54.3 4.4 19.4 33.5 58 72 A P G 3 S+ 0 0 107 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.648 99.6 60.3 -61.0 -16.0 5.5 17.1 36.5 59 73 A L G X >S+ 0 0 16 -3,-2.6 5,-2.6 3,-0.1 3,-1.6 0.586 78.1 111.5 -87.0 -13.8 8.9 18.8 36.5 60 74 A V B < 5S+i 64 0B 44 -3,-1.7 5,-0.2 -4,-0.4 3,-0.1 -0.389 83.3 16.4 -71.3 141.9 7.6 22.3 37.2 61 75 A D T 3 5S+ 0 0 147 3,-2.2 -1,-0.3 1,-0.2 4,-0.2 0.390 131.7 54.8 70.4 -0.5 8.5 23.8 40.7 62 76 A G T < 5S- 0 0 16 -3,-1.6 -1,-0.2 2,-0.6 -2,-0.1 0.305 130.0 -10.4-115.0-106.8 11.1 21.0 40.9 63 77 A L T 5S+ 0 0 1 -3,-0.1 2,-0.5 -4,-0.1 -3,-0.2 0.905 132.0 59.6 -61.7 -41.4 13.7 20.7 38.1 64 78 A V B < -i 60 0B 0 -5,-2.6 -3,-2.2 -8,-0.2 -2,-0.6 -0.787 61.1-172.0 -98.9 125.6 11.9 23.2 35.9 65 79 A D S S+ 0 0 69 -29,-2.2 2,-0.3 -2,-0.5 -28,-0.2 0.774 72.8 6.6 -87.5 -28.9 11.3 26.7 37.3 66 80 A E E -d 37 0A 38 -30,-1.3 -28,-2.5 2,-0.0 2,-0.5 -0.987 55.8-155.4-154.8 148.5 9.0 27.9 34.5 67 81 A L E +d 38 0A 13 -2,-0.3 21,-2.0 -30,-0.2 2,-0.4 -0.972 21.0 179.9-129.2 114.7 7.2 26.6 31.5 68 82 A I E -de 39 88A 0 -30,-2.9 -28,-2.8 -2,-0.5 2,-0.6 -0.940 21.5-154.4-120.7 131.2 6.3 29.0 28.7 69 83 A V E -de 40 89A 0 19,-2.8 21,-3.0 -2,-0.4 2,-1.1 -0.942 16.0-149.4 -95.9 121.5 4.6 28.5 25.4 70 84 A L E -de 41 90A 0 -30,-1.9 -28,-2.4 -2,-0.6 2,-0.5 -0.810 14.6-152.3 -92.6 98.6 5.7 31.2 23.0 71 85 A D E -de 42 91A 14 19,-1.9 21,-1.1 -2,-1.1 2,-0.2 -0.641 7.2-162.8 -79.2 120.5 2.6 31.6 20.8 72 86 A S - 0 0 13 -30,-3.1 32,-0.2 -2,-0.5 -1,-0.1 -0.261 68.4 -53.6-104.6 43.7 3.7 32.8 17.4 73 87 A G S S- 0 0 34 -2,-0.2 2,-0.2 1,-0.2 -1,-0.1 0.786 73.7-175.4 94.8 34.1 0.3 34.1 16.1 74 88 A S - 0 0 23 -32,-0.3 -1,-0.2 1,-0.1 5,-0.1 -0.412 17.9-179.1 -67.7 132.2 -1.9 31.1 16.6 75 89 A T + 0 0 133 -2,-0.2 -1,-0.1 3,-0.0 2,-0.1 0.308 66.1 69.2-110.0 0.7 -5.5 31.4 15.2 76 90 A D S S- 0 0 47 0, 0.0 3,-0.4 0, 0.0 -32,-0.1 -0.067 111.1 -72.4 -95.7-154.5 -6.6 27.9 16.3 77 91 A D S > S+ 0 0 73 1,-0.2 4,-2.0 2,-0.1 5,-0.2 0.164 89.4 118.3 -92.7 20.6 -7.1 26.7 19.9 78 92 A T H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.900 73.9 46.4 -52.6 -51.6 -3.4 26.6 20.8 79 93 A E H > S+ 0 0 97 -3,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.935 113.1 45.4 -62.4 -51.6 -3.5 29.1 23.7 80 94 A I H > S+ 0 0 111 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.892 115.6 48.7 -60.8 -37.8 -6.6 27.9 25.6 81 95 A R H X S+ 0 0 101 -4,-2.0 4,-0.9 2,-0.2 -1,-0.2 0.810 110.4 50.2 -72.7 -32.0 -5.3 24.2 25.3 82 96 A A H X>S+ 0 0 0 -4,-1.9 5,-2.3 -5,-0.2 4,-0.8 0.871 111.6 49.3 -70.5 -38.4 -1.8 25.1 26.6 83 97 A V H ><5S+ 0 0 81 -4,-2.2 3,-0.7 2,-0.2 -2,-0.2 0.918 109.8 50.1 -64.3 -45.3 -3.3 27.0 29.5 84 98 A A H 3<5S+ 0 0 91 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.753 108.2 54.6 -67.7 -24.6 -5.6 24.1 30.5 85 99 A A H 3<5S- 0 0 17 -4,-0.9 -1,-0.3 -5,-0.1 -2,-0.2 0.674 126.8-102.0 -80.0 -22.0 -2.5 21.8 30.3 86 100 A G T <<5S+ 0 0 58 -4,-0.8 -3,-0.2 -3,-0.7 2,-0.2 0.391 77.6 125.6 118.8 -1.4 -0.8 24.1 32.8 87 101 A A < - 0 0 6 -5,-2.3 2,-0.5 -21,-0.1 -1,-0.3 -0.531 59.1-120.1 -84.8 152.7 1.6 26.2 30.7 88 102 A R E -e 68 0A 135 -21,-2.0 -19,-2.8 -2,-0.2 2,-0.5 -0.811 27.6-144.5 -86.8 128.1 1.9 30.0 30.6 89 103 A V E -e 69 0A 17 -2,-0.5 2,-0.5 -21,-0.2 -19,-0.2 -0.855 17.4-176.4-101.1 128.1 1.3 31.4 27.1 90 104 A V E -e 70 0A 8 -21,-3.0 -19,-1.9 -2,-0.5 2,-0.1 -0.989 15.4-144.6-122.4 122.5 3.2 34.5 26.0 91 105 A S E > -e 71 0A 21 -2,-0.5 4,-2.4 -21,-0.2 -19,-0.2 -0.393 29.8-107.8 -78.5 166.0 2.6 36.0 22.6 92 106 A R H > S+ 0 0 38 -21,-1.1 4,-1.3 1,-0.2 -1,-0.1 0.906 122.6 50.2 -58.0 -42.8 5.4 37.5 20.5 93 107 A E H 4 S+ 0 0 93 1,-0.2 3,-0.2 2,-0.2 -1,-0.2 0.902 111.3 48.1 -60.6 -48.0 4.0 41.0 21.3 94 108 A Q H 4 S+ 0 0 126 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.857 107.2 56.8 -62.3 -39.1 3.8 40.2 25.0 95 109 A A H < S+ 0 0 4 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.842 132.0 2.4 -61.3 -37.8 7.4 38.8 25.1 96 110 A L >< + 0 0 0 -4,-1.3 3,-1.5 -3,-0.2 -1,-0.2 -0.501 67.6 174.6-157.1 72.2 9.0 42.0 23.7 97 111 A P T 3 S+ 0 0 86 0, 0.0 -3,-0.1 0, 0.0 -2,-0.1 0.736 74.9 62.9 -57.6 -30.0 6.4 44.9 23.1 98 112 A E T 3 S+ 0 0 119 2,-0.1 -5,-0.1 -5,-0.0 0, 0.0 0.362 95.1 64.8 -86.4 5.7 9.0 47.5 22.1 99 113 A V S < S- 0 0 22 -3,-1.5 -3,-0.1 -6,-0.2 199,-0.0 -0.999 87.2-118.8-126.0 128.7 10.3 45.7 19.0 100 114 A P - 0 0 108 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 -0.260 37.7-101.9 -62.0 153.0 8.0 45.1 15.9 101 115 A I - 0 0 58 -4,-0.1 -8,-0.0 0, 0.0 6,-0.0 -0.545 29.6-167.0 -81.4 137.5 7.3 41.5 15.0 102 116 A R - 0 0 102 -2,-0.2 5,-0.0 2,-0.1 2,-0.0 -0.904 31.6-108.4-107.0 150.1 9.0 39.8 12.1 103 117 A P + 0 0 112 0, 0.0 102,-0.4 0, 0.0 4,-0.2 -0.330 68.4 63.1 -74.6 161.9 7.6 36.4 10.9 104 118 A G S > S- 0 0 32 -32,-0.2 4,-1.0 100,-0.1 -2,-0.1 -0.133 84.8 -82.4 112.6 161.2 9.2 33.0 11.5 105 119 A K H > S+ 0 0 55 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.835 119.1 60.7 -62.4 -44.0 10.3 30.6 14.2 106 120 A G H > S+ 0 0 2 99,-0.5 4,-2.6 1,-0.2 5,-0.2 0.902 102.1 54.2 -57.1 -42.9 13.7 32.3 14.9 107 121 A E H > S+ 0 0 7 -4,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.901 107.9 50.1 -50.7 -46.2 11.8 35.5 15.9 108 122 A A H X S+ 0 0 0 -4,-1.0 4,-1.6 -3,-0.2 -2,-0.2 0.923 112.3 45.4 -64.4 -45.7 9.7 33.5 18.4 109 123 A L H X S+ 0 0 1 -4,-2.1 4,-0.8 2,-0.2 -1,-0.2 0.883 112.8 51.2 -65.4 -42.0 12.7 31.8 20.1 110 124 A W H >X S+ 0 0 1 -4,-2.6 3,-1.4 -5,-0.2 4,-0.6 0.966 110.0 49.5 -57.8 -53.6 14.6 35.1 20.2 111 125 A R H >X S+ 0 0 0 -4,-2.6 4,-1.5 1,-0.3 3,-1.2 0.823 100.8 65.4 -53.3 -35.4 11.6 36.9 21.8 112 126 A S H 3X S+ 0 0 0 -4,-1.6 4,-2.2 1,-0.3 -1,-0.3 0.752 89.5 66.1 -64.0 -27.5 11.4 34.0 24.4 113 127 A L H << S+ 0 0 3 -3,-1.4 -1,-0.3 -4,-0.8 -2,-0.2 0.852 105.8 43.2 -56.8 -37.9 14.8 35.1 25.7 114 128 A A H << S+ 0 0 22 -3,-1.2 -2,-0.2 -4,-0.6 -1,-0.2 0.840 115.4 48.5 -76.0 -35.1 13.1 38.3 26.9 115 129 A A H < S+ 0 0 17 -4,-1.5 -2,-0.2 -25,-0.1 2,-0.2 0.739 105.0 68.8 -76.2 -27.4 10.0 36.4 28.2 116 130 A S < - 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