==== 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 16-MAR-08 3CKQ . COMPND 2 MOLECULE: PUTATIVE UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM PARATUBERCULOSIS; . AUTHOR Z.MARLAND,J.ROSSJOHN . 302 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13602.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 197 65.2 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 . 24 7.9 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 . 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 . 23 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 76 25.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 3 1 2 0 2 0 1 1 0 1 0 0 0 0 1 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 . 1 1 2 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 60 0, 0.0 3,-0.9 0, 0.0 15,-0.0 0.000 360.0 360.0 360.0 -63.4 30.7 4.6 21.6 2 16 A L T 3 + 0 0 92 1,-0.2 3,-0.3 3,-0.1 0, 0.0 0.367 360.0 82.6 -80.5 3.0 28.1 4.8 18.8 3 17 A R T 3 S+ 0 0 245 1,-0.3 -1,-0.2 0, 0.0 2,-0.2 0.634 109.7 14.5 -79.5 -17.9 28.4 1.0 18.7 4 18 A D S < S+ 0 0 91 -3,-0.9 2,-0.4 2,-0.0 -1,-0.3 -0.720 78.5 164.5-158.2 107.5 25.9 0.9 21.6 5 19 A T - 0 0 36 -3,-0.3 -3,-0.1 -2,-0.2 14,-0.0 -0.980 16.9-157.9-129.2 138.6 23.9 4.0 22.7 6 20 A R > - 0 0 130 -2,-0.4 3,-2.9 225,-0.0 2,-0.6 -0.833 42.7 -84.4-111.6 149.8 20.9 4.3 24.9 7 21 A P T 3 S+ 0 0 64 0, 0.0 225,-0.2 0, 0.0 149,-0.0 -0.369 123.2 32.7 -51.9 102.5 18.2 7.0 25.1 8 22 A G T 3 S+ 0 0 1 223,-0.7 224,-0.1 -2,-0.6 10,-0.0 0.060 81.3 140.0 134.7 -23.6 20.1 9.5 27.4 9 23 A D < - 0 0 8 -3,-2.9 222,-1.5 10,-0.1 2,-0.4 -0.229 41.5-142.1 -58.3 135.1 23.7 8.9 26.4 10 24 A T E -AB 18 230A 13 8,-2.4 8,-1.6 220,-0.2 2,-0.5 -0.850 8.7-158.3-106.8 132.1 25.9 12.0 26.2 11 25 A W E -AB 17 229A 45 218,-2.6 218,-1.7 -2,-0.4 6,-0.2 -0.943 8.5-158.7-111.4 125.6 28.6 12.6 23.6 12 26 A L E >> -A 16 0A 45 4,-3.0 3,-0.9 -2,-0.5 4,-0.8 -0.598 33.3-103.2 -97.7 162.7 31.5 15.1 24.3 13 27 A A T 34 S+ 0 0 29 1,-0.3 2,-0.6 214,-0.3 212,-0.1 0.806 114.7 65.2 -51.7 -38.4 33.7 16.8 21.7 14 28 A D T 34 S- 0 0 115 1,-0.1 -1,-0.3 211,-0.1 3,-0.1 -0.065 123.2 -97.4 -83.2 35.2 36.7 14.5 22.4 15 29 A R T <4 S+ 0 0 73 -3,-0.9 2,-0.4 -2,-0.6 -2,-0.2 0.842 82.0 138.9 51.8 42.1 34.8 11.4 21.1 16 30 A S E < -A 12 0A 34 -4,-0.8 -4,-3.0 -15,-0.0 2,-0.2 -0.959 37.0-156.6-122.7 132.9 33.8 10.4 24.6 17 31 A W E -A 11 0A 59 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.2 -0.669 3.6-164.1-104.9 158.0 30.5 9.0 25.8 18 32 A N E -A 10 0A 99 -8,-1.6 -8,-2.4 -2,-0.2 -2,-0.0 -0.975 14.2-142.5-144.6 129.9 28.7 8.9 29.2 19 33 A R - 0 0 126 -2,-0.3 2,-0.5 -10,-0.2 -10,-0.1 -0.827 27.3-127.5 -92.9 116.5 25.8 6.9 30.4 20 34 A P - 0 0 29 0, 0.0 2,-0.2 0, 0.0 -11,-0.0 -0.495 25.8-177.8 -69.9 111.2 23.5 8.9 32.8 21 35 A G + 0 0 71 -2,-0.5 2,-0.3 2,-0.0 -2,-0.0 -0.317 49.6 92.0-104.8 48.0 23.0 7.1 36.1 22 36 A W - 0 0 56 -2,-0.2 2,-0.2 4,-0.0 0, 0.0 -0.827 59.8-133.6-133.4 170.9 20.7 9.6 37.7 23 37 A T > - 0 0 69 -2,-0.3 4,-1.8 1,-0.0 5,-0.2 -0.577 38.6 -96.1-114.1-179.1 17.0 10.4 38.2 24 38 A V H > S+ 0 0 45 1,-0.2 4,-1.2 2,-0.2 -1,-0.0 0.843 127.0 52.5 -64.1 -34.8 14.8 13.6 37.9 25 39 A A H > S+ 0 0 70 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.801 107.5 51.4 -70.4 -31.9 15.2 13.9 41.7 26 40 A E H > S+ 0 0 105 2,-0.2 4,-0.7 1,-0.2 3,-0.3 0.882 108.0 49.7 -75.2 -41.1 19.0 13.7 41.5 27 41 A L H >< S+ 0 0 6 -4,-1.8 3,-0.5 1,-0.2 4,-0.2 0.833 103.7 61.0 -65.3 -35.2 19.5 16.4 38.8 28 42 A E H >X S+ 0 0 82 -4,-1.2 3,-0.9 1,-0.3 4,-0.6 0.841 103.7 49.6 -62.4 -35.5 17.3 18.8 40.8 29 43 A A H 3< S+ 0 0 84 -4,-0.8 -1,-0.3 -3,-0.3 -2,-0.2 0.696 104.9 59.7 -74.2 -21.4 19.7 18.6 43.7 30 44 A A T << S+ 0 0 47 -4,-0.7 -1,-0.2 -3,-0.5 -2,-0.2 0.406 92.4 72.1 -87.1 0.6 22.6 19.3 41.2 31 45 A K T X4 + 0 0 14 -3,-0.9 3,-0.7 -4,-0.2 -2,-0.2 0.985 60.0 164.3 -76.1 -70.8 21.0 22.7 40.2 32 46 A A T 3< S- 0 0 90 -4,-0.6 2,-0.2 1,-0.2 3,-0.1 0.958 78.2 -7.6 46.6 86.6 21.6 24.9 43.3 33 47 A G T 3 S+ 0 0 73 1,-0.3 -1,-0.2 0, 0.0 2,-0.2 -0.215 110.9 103.7 98.5 -42.6 21.0 28.5 42.2 34 48 A R < - 0 0 86 -3,-0.7 2,-0.3 -2,-0.2 -1,-0.3 -0.531 58.1-152.2 -76.9 139.8 20.6 27.8 38.5 35 49 A T - 0 0 44 -2,-0.2 85,-2.5 82,-0.1 2,-0.5 -0.844 2.6-142.6-117.3 150.3 17.1 27.8 37.0 36 50 A I E -c 120 0A 0 27,-0.4 29,-1.9 -2,-0.3 30,-1.1 -0.946 12.4-173.5-118.4 128.1 15.5 26.0 34.1 37 51 A S E -cd 121 66A 0 83,-3.1 85,-2.9 -2,-0.5 2,-0.5 -0.954 10.6-153.3-115.6 137.2 12.9 27.3 31.6 38 52 A V E -cd 122 67A 0 28,-2.3 30,-3.2 -2,-0.4 2,-0.4 -0.953 11.9-165.9-111.8 125.6 11.2 25.3 29.0 39 53 A V E -cd 123 68A 0 83,-3.1 85,-2.0 -2,-0.5 30,-0.2 -0.928 7.4-165.6-115.3 130.9 9.9 27.1 25.9 40 54 A L E - d 0 69A 0 28,-2.4 30,-1.4 -2,-0.4 2,-0.2 -0.911 12.9-148.4-117.2 103.3 7.5 25.6 23.3 41 55 A P E - d 0 70A 11 0, 0.0 85,-0.9 0, 0.0 2,-0.4 -0.508 23.3-175.4 -64.6 133.5 7.2 27.5 20.0 42 56 A A E + d 0 71A 1 28,-2.2 30,-3.0 -2,-0.2 2,-0.4 -0.960 26.1 166.2-143.5 121.0 3.7 27.3 18.5 43 57 A L S S- 0 0 94 -2,-0.4 28,-0.1 28,-0.2 31,-0.0 -0.818 84.6 -30.4-129.3 92.1 2.1 28.4 15.3 44 58 A D S S+ 0 0 54 -2,-0.4 -1,-0.1 1,-0.1 3,-0.1 0.996 82.3 141.4 60.6 81.7 -1.3 26.6 15.0 45 59 A E > + 0 0 43 -3,-0.1 4,-2.7 2,-0.1 3,-0.4 -0.109 9.3 146.4-136.7 38.1 -0.9 23.3 16.7 46 60 A E T 4 S+ 0 0 53 1,-0.2 4,-0.3 2,-0.2 -1,-0.1 0.658 74.3 45.6 -55.1 -22.3 -4.3 22.9 18.4 47 61 A D T 4 S+ 0 0 139 2,-0.1 4,-0.4 3,-0.1 -1,-0.2 0.880 122.0 30.5 -86.4 -44.0 -4.3 19.1 18.0 48 62 A T T > S+ 0 0 34 -3,-0.4 4,-1.7 1,-0.1 3,-0.5 0.825 101.8 74.6 -88.3 -35.8 -0.8 18.2 19.1 49 63 A I H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.783 90.3 57.8 -55.8 -38.0 0.1 20.9 21.7 50 64 A G H > S+ 0 0 20 -5,-0.3 4,-2.1 -4,-0.3 -1,-0.2 0.951 110.1 43.7 -56.1 -52.7 -2.1 19.5 24.5 51 65 A S H > S+ 0 0 53 -3,-0.5 4,-1.0 -4,-0.4 -1,-0.2 0.818 111.9 55.4 -62.3 -35.2 -0.3 16.1 24.4 52 66 A V H X S+ 0 0 0 -4,-1.7 4,-0.6 74,-0.2 3,-0.4 0.933 110.3 44.3 -62.2 -48.2 3.1 17.9 24.2 53 67 A I H >X S+ 0 0 0 -4,-2.5 4,-1.6 1,-0.2 3,-1.1 0.878 105.6 60.7 -67.2 -40.6 2.4 19.9 27.4 54 68 A D H 3< S+ 0 0 95 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.789 99.6 56.8 -59.9 -31.1 1.1 17.0 29.4 55 69 A S H 3< S+ 0 0 19 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.775 114.7 37.9 -69.4 -28.1 4.4 15.1 29.0 56 70 A I H XX S+ 0 0 7 -3,-1.1 3,-1.6 -4,-0.6 4,-0.7 0.616 93.1 92.3 -98.5 -17.6 6.3 18.0 30.6 57 71 A S G >< S+ 0 0 41 -4,-1.6 3,-1.2 1,-0.3 -2,-0.1 0.841 80.8 53.0 -47.2 -51.7 3.6 19.0 33.2 58 72 A P G 34 S+ 0 0 109 0, 0.0 -1,-0.3 0, 0.0 5,-0.2 0.681 102.2 61.9 -65.2 -16.3 4.9 16.8 36.2 59 73 A L G X>>S+ 0 0 18 -3,-1.6 5,-2.0 3,-0.1 3,-1.1 0.761 83.6 98.1 -77.1 -27.2 8.4 18.4 35.8 60 74 A V B <<5S+i 64 0B 41 -3,-1.2 5,-0.2 -4,-0.7 3,-0.1 -0.315 87.2 18.8 -66.3 145.3 7.0 21.9 36.5 61 75 A D T 345S+ 0 0 154 3,-1.7 -1,-0.2 1,-0.2 4,-0.1 0.111 130.8 51.0 77.1 -19.4 7.4 23.2 40.1 62 76 A G T <45S- 0 0 24 -3,-1.1 -1,-0.2 2,-0.3 -2,-0.2 0.674 131.3 -8.4-103.7 -92.4 10.1 20.6 40.7 63 77 A L T <5S+ 0 0 1 -4,-0.8 2,-0.5 -5,-0.2 -27,-0.4 0.938 128.7 60.4 -76.1 -51.4 12.9 20.4 38.1 64 78 A V B < -i 60 0B 0 -5,-2.0 -3,-1.7 -8,-0.2 -2,-0.3 -0.705 66.2-165.1 -81.3 122.9 11.4 22.9 35.6 65 79 A D S S+ 0 0 71 -29,-1.9 2,-0.3 -2,-0.5 -28,-0.2 0.840 73.1 7.0 -77.1 -35.6 10.9 26.3 37.2 66 80 A E E -d 37 0A 43 -30,-1.1 -28,-2.3 -6,-0.1 2,-0.6 -0.980 58.7-150.8-152.2 136.5 8.6 27.6 34.4 67 81 A L E -d 38 0A 11 -2,-0.3 21,-1.2 -30,-0.2 2,-0.4 -0.943 23.6-177.6-108.4 118.9 6.8 26.2 31.4 68 82 A I E -de 39 88A 0 -30,-3.2 -28,-2.4 -2,-0.6 2,-0.6 -0.960 17.5-160.5-123.4 131.0 6.3 28.8 28.6 69 83 A V E -de 40 89A 2 19,-2.8 21,-2.8 -2,-0.4 2,-0.8 -0.955 15.5-148.5-107.7 118.5 4.5 28.4 25.3 70 84 A L E -de 41 90A 0 -30,-1.4 -28,-2.2 -2,-0.6 2,-0.5 -0.787 10.9-146.5 -92.9 108.2 5.5 31.1 22.8 71 85 A D E -de 42 91A 16 19,-2.1 21,-1.6 -2,-0.8 22,-0.2 -0.626 9.1-163.2 -78.8 118.5 2.6 31.9 20.5 72 86 A S S S- 0 0 11 -30,-3.0 32,-0.2 -2,-0.5 -1,-0.1 -0.091 70.0 -70.6 -89.2 34.4 3.7 32.9 17.0 73 87 A G - 0 0 31 1,-0.1 2,-0.3 -31,-0.1 -1,-0.1 0.974 65.1-163.3 75.6 60.8 0.3 34.4 16.2 74 88 A S - 0 0 20 -32,-0.2 -1,-0.1 1,-0.1 5,-0.1 -0.575 13.4-164.9 -75.6 136.4 -1.9 31.3 16.0 75 89 A T + 0 0 134 -2,-0.3 -1,-0.1 3,-0.0 -32,-0.0 0.633 69.2 64.8 -95.4 -19.3 -5.3 31.8 14.4 76 90 A D S > S- 0 0 41 1,-0.0 3,-0.5 3,-0.0 -32,-0.1 0.063 110.9 -71.2 -87.1-159.3 -6.9 28.6 15.6 77 91 A D T 3> S+ 0 0 76 1,-0.2 4,-1.6 2,-0.1 5,-0.1 -0.052 94.8 110.2 -91.5 33.0 -7.7 27.4 19.1 78 92 A T H 3> S+ 0 0 3 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.920 72.8 56.5 -69.4 -45.0 -4.1 26.9 20.2 79 93 A E H <> S+ 0 0 40 -3,-0.5 4,-0.7 1,-0.2 -1,-0.2 0.850 114.7 37.2 -56.7 -40.8 -4.1 29.8 22.6 80 94 A I H > S+ 0 0 111 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.807 114.8 53.4 -83.4 -32.2 -7.0 28.5 24.6 81 95 A R H < S+ 0 0 109 -4,-1.6 4,-0.4 1,-0.2 -2,-0.2 0.678 103.9 57.7 -77.0 -19.6 -6.1 24.8 24.4 82 96 A A H <>S+ 0 0 1 -4,-1.7 5,-1.7 2,-0.2 3,-0.4 0.857 104.8 50.0 -76.1 -38.1 -2.6 25.5 25.8 83 97 A V H ><5S+ 0 0 89 -4,-0.7 3,-2.0 1,-0.2 -2,-0.2 0.905 106.5 55.5 -64.2 -43.4 -4.0 27.1 28.9 84 98 A A T 3<5S+ 0 0 91 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.650 101.5 58.9 -66.0 -17.5 -6.3 24.1 29.5 85 99 A A T 3 5S- 0 0 15 -3,-0.4 -1,-0.3 -4,-0.4 -2,-0.2 0.447 126.2-103.3 -87.3 -3.5 -3.2 21.8 29.4 86 100 A G T < 5S+ 0 0 63 -3,-2.0 2,-0.3 1,-0.3 -3,-0.2 0.762 77.3 134.6 87.1 30.1 -1.7 23.8 32.3 87 101 A A < - 0 0 8 -5,-1.7 2,-0.6 -4,-0.1 -1,-0.3 -0.830 57.1-120.2-114.1 150.2 0.7 26.0 30.3 88 102 A R E -e 68 0A 135 -21,-1.2 -19,-2.8 -2,-0.3 2,-0.6 -0.781 28.2-147.5 -89.5 121.6 1.5 29.7 30.4 89 103 A V E +e 69 0A 40 -2,-0.6 2,-0.4 -21,-0.2 -19,-0.2 -0.806 20.7 173.6 -97.8 121.6 0.9 31.3 27.0 90 104 A V E -e 70 0A 6 -21,-2.8 -19,-2.1 -2,-0.6 2,-0.1 -0.991 16.9-152.4-124.7 120.5 3.1 34.3 25.9 91 105 A S E > -e 71 0A 13 -2,-0.4 4,-1.3 -21,-0.2 3,-0.2 -0.363 32.5-103.2 -83.7 169.8 2.6 35.7 22.4 92 106 A R H > S+ 0 0 38 -21,-1.6 4,-1.0 1,-0.2 -20,-0.1 0.822 120.1 58.5 -58.6 -33.8 5.3 37.4 20.4 93 107 A E H 4 S+ 0 0 79 1,-0.2 -1,-0.2 -22,-0.2 6,-0.2 0.892 112.6 35.4 -64.9 -44.9 3.7 40.8 21.2 94 108 A Q H 4 S+ 0 0 135 -3,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.552 105.7 69.7 -91.9 -10.3 3.9 40.4 25.0 95 109 A A H < S- 0 0 1 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.849 129.4 -4.9 -71.5 -36.3 7.3 38.7 24.9 96 110 A L S >< S+ 0 0 0 -4,-1.0 3,-1.3 3,-0.1 -1,-0.2 -0.509 72.1 175.6-158.9 79.7 9.0 41.9 23.8 97 111 A P T 3 S+ 0 0 89 0, 0.0 4,-0.1 0, 0.0 -3,-0.1 0.696 73.4 63.5 -67.4 -23.4 6.5 44.7 23.0 98 112 A E T 3 S+ 0 0 120 2,-0.1 -5,-0.0 1,-0.0 0, 0.0 0.428 95.4 66.9 -86.8 0.5 9.0 47.5 22.2 99 113 A V S < S- 0 0 23 -3,-1.3 -3,-0.1 -6,-0.2 -1,-0.0 -0.992 91.7-113.6-120.5 126.1 10.4 45.7 19.2 100 114 A P - 0 0 105 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 -0.186 38.1-101.6 -54.7 147.0 8.1 45.1 16.1 101 115 A I - 0 0 75 -4,-0.1 -8,-0.0 1,-0.0 -9,-0.0 -0.483 32.9-167.8 -76.8 136.6 7.2 41.6 15.2 102 116 A R - 0 0 100 -2,-0.2 6,-0.1 2,-0.1 5,-0.1 -0.966 26.2-112.8-118.4 143.2 8.9 39.6 12.4 103 117 A P + 0 0 112 0, 0.0 104,-0.5 0, 0.0 4,-0.1 -0.309 67.9 67.1 -71.0 158.4 7.5 36.3 11.0 104 118 A G S > S- 0 0 29 -32,-0.2 4,-1.2 102,-0.1 3,-0.3 -0.185 84.1 -89.7 115.8 157.1 9.3 33.0 11.5 105 119 A K H > S+ 0 0 33 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.850 117.2 65.3 -66.7 -38.4 10.4 30.6 14.2 106 120 A G H > S+ 0 0 0 101,-0.8 4,-1.9 1,-0.2 -1,-0.2 0.865 101.6 49.7 -53.0 -42.3 13.7 32.3 14.8 107 121 A E H > S+ 0 0 7 -3,-0.3 4,-3.3 2,-0.2 5,-0.3 0.952 106.9 54.9 -59.2 -52.3 11.8 35.4 16.1 108 122 A A H X S+ 0 0 0 -4,-1.2 4,-1.6 1,-0.2 -2,-0.2 0.895 111.8 42.9 -50.3 -49.2 9.7 33.2 18.5 109 123 A L H X S+ 0 0 0 -4,-2.1 4,-0.6 2,-0.2 -1,-0.2 0.853 114.4 51.1 -67.6 -37.0 12.7 31.7 20.1 110 124 A W H >X S+ 0 0 1 -4,-1.9 3,-1.0 -5,-0.2 4,-0.6 0.927 111.4 46.9 -65.8 -45.7 14.5 35.1 20.3 111 125 A R H >X S+ 0 0 1 -4,-3.3 4,-1.3 1,-0.2 3,-0.6 0.807 102.7 65.0 -65.4 -31.2 11.5 36.8 21.9 112 126 A S H 3X S+ 0 0 0 -4,-1.6 4,-1.9 -5,-0.3 -1,-0.2 0.677 89.4 66.9 -68.0 -20.0 11.2 33.9 24.4 113 127 A L H << S+ 0 0 1 -3,-1.0 -1,-0.2 -4,-0.6 -2,-0.2 0.907 105.2 42.6 -64.4 -42.2 14.6 34.8 25.9 114 128 A A H << S+ 0 0 9 -3,-0.6 -2,-0.2 -4,-0.6 -1,-0.2 0.800 115.6 50.3 -71.1 -31.9 13.0 38.1 27.1 115 129 A A H < S+ 0 0 18 -4,-1.3 -2,-0.2 -25,-0.1 -1,-0.2 0.762 104.2 68.7 -79.3 -28.1 9.9 36.2 28.2 116 130 A S < - 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