==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR 11-JUL-12 4G1X . COMPND 2 MOLECULE: CYTOCHROME P450 121; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR S.A.HUDSON . 394 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17029.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 265 67.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 7.6 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 . 16 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 147 37.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.0 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 1 1 1 2 1 3 1 0 0 1 0 0 0 0 1 2 0 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 3 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 1 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 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 3 A A 0 0 157 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 143.9 13.4 -9.5 13.5 2 4 A T - 0 0 139 1,-0.1 3,-0.1 3,-0.0 2,-0.0 -0.867 360.0-104.5-119.9 157.5 11.2 -6.5 13.9 3 5 A V - 0 0 106 -2,-0.3 2,-0.2 1,-0.1 3,-0.1 -0.243 47.4 -83.0 -67.3 157.0 8.8 -4.9 11.5 4 6 A L - 0 0 42 1,-0.1 29,-0.2 28,-0.1 -1,-0.1 -0.512 66.3 -84.1 -52.2 133.8 9.4 -1.6 9.7 5 7 A L - 0 0 59 26,-0.3 28,-2.5 -2,-0.2 2,-0.3 -0.193 51.3-139.7 -49.3 128.8 8.6 1.3 12.0 6 8 A E B -a 33 0A 123 26,-0.2 28,-0.2 -3,-0.1 -1,-0.1 -0.608 17.5-110.4 -96.9 144.1 4.9 2.0 11.8 7 9 A V S S+ 0 0 15 26,-2.3 28,-0.2 -2,-0.3 2,-0.1 -0.955 86.9 44.9-117.7 152.7 3.1 5.4 11.7 8 10 A P - 0 0 64 0, 0.0 3,-0.1 0, 0.0 272,-0.1 0.530 66.7-159.8 -74.5 164.1 1.5 7.1 13.4 9 11 A F - 0 0 56 1,-0.3 2,-0.3 -2,-0.1 -2,-0.1 0.875 69.2 -8.3 -77.7 -41.9 3.4 6.6 16.6 10 12 A S - 0 0 46 269,-0.2 -1,-0.3 2,-0.1 370,-0.0 -0.946 45.2-146.5-157.2 139.8 0.6 7.5 19.1 11 13 A A + 0 0 28 -2,-0.3 2,-0.3 -3,-0.1 375,-0.2 0.452 67.3 114.8 -82.1 -7.0 -2.8 9.0 19.0 12 14 A R - 0 0 63 1,-0.1 3,-0.2 366,-0.1 -2,-0.1 -0.514 44.7-172.3 -71.1 129.6 -2.3 10.8 22.3 13 15 A G + 0 0 6 -2,-0.3 263,-0.5 1,-0.2 -1,-0.1 0.284 69.1 74.1-106.3 12.5 -2.3 14.5 21.8 14 16 A D S S+ 0 0 26 1,-0.2 2,-0.3 261,-0.1 -1,-0.2 0.620 104.4 22.1 -99.2 -14.7 -1.3 15.7 25.3 15 17 A R S S- 0 0 92 -3,-0.2 -1,-0.2 261,-0.1 -3,-0.0 -0.977 74.6-120.5-151.7 144.8 2.5 14.8 25.0 16 18 A I - 0 0 44 -2,-0.3 -3,-0.1 -3,-0.1 5,-0.1 -0.826 40.3-107.0 -82.5 141.7 5.0 14.1 22.3 17 19 A P >> - 0 0 33 0, 0.0 3,-2.0 0, 0.0 4,-0.6 -0.321 19.1-129.8 -63.7 137.5 6.6 10.6 22.3 18 20 A D H >> S+ 0 0 145 1,-0.3 4,-1.4 2,-0.2 3,-0.5 0.793 106.4 74.1 -57.8 -23.6 10.2 10.7 23.5 19 21 A A H 3> S+ 0 0 57 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.767 82.0 66.0 -63.9 -25.9 10.8 8.7 20.3 20 22 A V H <> S+ 0 0 0 -3,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.957 103.2 44.9 -63.4 -45.4 10.3 11.8 18.1 21 23 A A H - 0 0 6 4,-2.7 3,-2.1 -2,-0.4 38,-0.1 -0.319 35.6 -91.9 -90.0 175.7 1.6 3.5 6.9 35 37 A I T 3 S+ 0 0 58 36,-0.6 135,-0.1 1,-0.3 37,-0.1 0.714 125.5 56.6 -63.3 -20.1 -1.7 2.0 8.0 36 38 A T T 3 S- 0 0 50 34,-0.5 -1,-0.3 35,-0.4 3,-0.1 0.613 120.0-106.6 -83.1 -10.3 -2.3 0.8 4.3 37 39 A G S < S+ 0 0 39 -3,-2.1 -2,-0.1 1,-0.4 34,-0.1 0.287 76.9 136.2 95.7 -8.7 0.9 -1.2 4.2 38 40 A A - 0 0 17 32,-0.5 -4,-2.7 -5,-0.1 -1,-0.4 -0.346 54.3-122.8 -69.6 152.5 2.6 1.4 2.0 39 41 A E E +B 33 0A 103 -6,-0.2 263,-0.5 -3,-0.1 2,-0.3 -0.697 36.8 170.4 -85.0 151.8 6.2 2.5 2.6 40 42 A A E -B 32 0A 2 -8,-2.2 -8,-2.7 -2,-0.3 2,-0.6 -0.980 36.7-110.0-153.5 162.9 6.9 6.2 3.1 41 43 A W E -Bc 31 303A 37 261,-2.7 263,-3.1 -2,-0.3 2,-0.6 -0.889 28.1-152.6 -96.6 118.8 9.6 8.6 4.1 42 44 A L E -Bc 30 304A 3 -12,-3.2 -12,-2.0 -2,-0.6 2,-0.5 -0.839 9.4-161.8 -90.9 120.5 9.0 10.2 7.5 43 45 A V E +Bc 29 305A 0 261,-3.0 263,-2.6 -2,-0.6 -14,-0.2 -0.897 18.8 164.6-109.3 131.0 10.7 13.7 7.8 44 46 A S + 0 0 0 -16,-2.7 2,-0.3 -2,-0.5 -15,-0.1 0.416 39.8 88.5-135.6 5.7 11.1 15.1 11.2 45 47 A S S > S- 0 0 14 -17,-0.6 4,-2.9 1,-0.1 265,-0.3 -0.802 73.8-124.1 -99.5 155.3 13.6 18.0 11.4 46 48 A Y H > S+ 0 0 23 263,-0.4 4,-2.5 -2,-0.3 5,-0.2 0.925 110.3 52.3 -57.6 -44.5 12.7 21.5 10.8 47 49 A A H > S+ 0 0 64 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.901 114.5 39.8 -59.9 -48.9 15.2 21.9 8.0 48 50 A L H > S+ 0 0 19 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.889 112.9 55.0 -76.2 -28.1 14.0 18.9 6.0 49 51 A C H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.925 110.8 46.0 -62.7 -46.3 10.3 19.5 6.7 50 52 A T H X S+ 0 0 18 -4,-2.5 4,-2.1 -5,-0.3 -2,-0.2 0.936 109.4 54.7 -63.4 -38.8 10.7 23.0 5.3 51 53 A Q H < S+ 0 0 70 -4,-2.0 4,-0.5 -5,-0.2 -2,-0.2 0.925 112.0 44.2 -57.2 -46.3 12.7 21.8 2.3 52 54 A V H >< S+ 0 0 0 -4,-2.3 3,-1.3 1,-0.2 6,-0.3 0.959 114.1 48.2 -68.7 -45.0 9.9 19.3 1.4 53 55 A L H 3< S+ 0 0 7 -4,-2.5 287,-0.5 1,-0.3 288,-0.3 0.766 112.7 49.2 -68.0 -24.7 7.0 21.7 1.9 54 56 A E T 3< S+ 0 0 109 -4,-2.1 2,-0.7 285,-0.2 -1,-0.3 0.400 96.7 78.2 -92.2 2.9 8.8 24.5 -0.2 55 57 A D X - 0 0 29 -3,-1.3 3,-2.4 -4,-0.5 -1,-0.1 -0.893 63.7-162.5-115.0 108.3 9.6 22.2 -3.1 56 58 A R T 3 S+ 0 0 166 -2,-0.7 -1,-0.1 1,-0.3 4,-0.1 0.639 82.5 81.3 -72.9 -6.1 6.5 21.7 -5.3 57 59 A R T 3 S+ 0 0 120 1,-0.1 230,-2.5 2,-0.1 2,-0.9 0.661 82.5 72.6 -69.0 -14.8 8.1 18.6 -7.0 58 60 A F E < S-D 286 0A 4 -3,-2.4 2,-0.4 -6,-0.3 228,-0.2 -0.902 92.6-158.2 -88.9 102.6 6.8 17.0 -3.7 59 61 A S E -D 285 0A 22 226,-3.1 226,-2.5 -2,-0.9 4,-0.4 -0.701 33.2-164.5 -98.1 137.2 3.2 17.2 -4.8 60 62 A M S > S+ 0 0 54 -2,-0.4 3,-1.6 224,-0.2 4,-0.3 0.930 94.3 48.9 -72.5 -51.9 -0.1 17.3 -2.9 61 63 A K G > S+ 0 0 75 1,-0.3 3,-1.9 2,-0.2 -1,-0.1 0.885 101.7 62.5 -69.1 -24.5 -2.3 16.5 -5.8 62 64 A E G > S+ 0 0 35 1,-0.3 3,-1.9 223,-0.2 -1,-0.3 0.678 85.2 77.1 -71.3 -10.6 -0.2 13.6 -7.0 63 65 A T G < S+ 0 0 14 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.743 90.6 57.4 -63.2 -21.7 -1.0 11.8 -3.7 64 66 A A G < S+ 0 0 15 -3,-1.9 -1,-0.3 -4,-0.3 -2,-0.2 0.467 77.9 123.4 -87.9 -0.5 -4.4 11.1 -5.2 65 67 A A S X S- 0 0 45 -3,-1.9 3,-1.9 1,-0.1 -3,-0.0 -0.292 72.9-105.0 -64.4 141.7 -3.0 9.3 -8.2 66 68 A A T 3 S+ 0 0 107 1,-0.2 -1,-0.1 -2,-0.0 -2,-0.1 -0.338 106.5 21.1 -62.0 136.6 -4.4 5.7 -8.7 67 69 A G T 3 S+ 0 0 89 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.1 0.489 90.7 134.6 89.3 -8.3 -1.7 3.2 -7.7 68 70 A A < - 0 0 17 -3,-1.9 -1,-0.3 -5,-0.1 2,-0.2 -0.450 69.6 -97.0 -70.0 152.3 0.3 5.6 -5.5 69 71 A P - 0 0 40 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.564 52.8-145.5 -61.1 136.3 1.6 4.4 -2.1 70 72 A R - 0 0 55 -2,-0.2 -32,-0.5 1,-0.1 -34,-0.5 -0.871 30.7-157.6-118.5 138.5 -1.0 5.9 0.3 71 73 A L S S- 0 0 15 -2,-0.4 -36,-0.6 1,-0.3 -35,-0.4 0.897 87.3 -26.3 -63.4 -48.9 -1.0 7.3 3.8 72 74 A N S S- 0 0 19 -37,-0.1 -1,-0.3 -38,-0.1 98,-0.2 -0.935 84.0 -71.1-158.2 170.9 -4.7 6.4 4.1 73 75 A A - 0 0 8 96,-3.0 96,-0.3 -2,-0.3 98,-0.1 -0.506 53.4-102.6 -72.6 146.6 -7.7 6.0 1.9 74 76 A L - 0 0 51 -2,-0.2 99,-0.4 1,-0.1 -1,-0.1 -0.414 27.7-173.4 -62.6 140.9 -9.4 9.0 0.2 75 77 A T S S+ 0 0 25 97,-0.1 -1,-0.1 2,-0.1 105,-0.1 0.345 73.0 47.7-113.0 3.1 -12.5 10.2 1.8 76 78 A V S S- 0 0 40 104,-0.0 5,-0.1 1,-0.0 101,-0.1 -0.895 105.6 -77.0-129.4 167.5 -13.2 12.7 -1.0 77 79 A P >> - 0 0 31 0, 0.0 3,-1.5 0, 0.0 4,-0.6 -0.277 48.2-114.2 -59.9 148.7 -13.2 12.4 -4.7 78 80 A P G >4 S+ 0 0 71 0, 0.0 3,-1.3 0, 0.0 4,-0.4 0.851 114.9 60.0 -59.7 -30.9 -9.6 12.4 -6.1 79 81 A E G >4 S+ 0 0 112 1,-0.3 3,-1.5 2,-0.2 7,-0.2 0.833 95.5 65.1 -67.4 -20.7 -10.1 15.7 -7.9 80 82 A V G X4 S+ 0 0 10 -3,-1.5 3,-1.8 1,-0.3 -1,-0.3 0.725 82.2 75.2 -77.4 -13.9 -10.9 17.3 -4.5 81 83 A V G << S+ 0 0 27 -3,-1.3 -1,-0.3 -4,-0.6 3,-0.2 0.858 97.4 49.0 -65.1 -26.0 -7.3 16.6 -3.3 82 84 A N G <> S+ 0 0 38 -3,-1.5 4,-2.8 -4,-0.4 -1,-0.3 -0.032 78.9 136.1 -95.1 31.3 -6.4 19.5 -5.6 83 85 A N H <> + 0 0 22 -3,-1.8 4,-2.7 1,-0.3 -1,-0.2 0.867 69.4 42.0 -53.8 -56.0 -9.1 21.7 -4.1 84 86 A M H > S+ 0 0 47 -3,-0.2 4,-2.9 1,-0.2 -1,-0.3 0.893 115.4 53.0 -65.9 -33.8 -7.3 25.0 -3.6 85 87 A G H > S+ 0 0 21 -3,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.897 109.5 48.7 -59.0 -42.8 -5.7 24.5 -7.0 86 88 A N H X S+ 0 0 45 -4,-2.8 4,-1.7 2,-0.2 -2,-0.2 0.927 111.0 50.1 -67.4 -39.0 -9.1 24.0 -8.5 87 89 A I H <>S+ 0 0 1 -4,-2.7 5,-2.3 -5,-0.3 6,-0.5 0.942 113.3 45.9 -61.8 -46.1 -10.3 27.2 -6.7 88 90 A A H ><5S+ 0 0 42 -4,-2.9 3,-2.3 1,-0.3 5,-0.3 0.936 110.2 53.0 -66.6 -41.6 -7.4 29.2 -8.0 89 91 A D H 3<5S+ 0 0 136 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.803 105.9 54.9 -65.4 -26.5 -7.8 27.8 -11.6 90 92 A A T 3<5S- 0 0 21 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.372 118.1-113.8 -84.3 -4.3 -11.6 28.9 -11.5 91 93 A G T < 5S+ 0 0 47 -3,-2.3 4,-0.3 -4,-0.1 -3,-0.2 0.598 88.0 114.4 76.4 24.2 -10.4 32.5 -10.6 92 94 A L >< + 0 0 0 -5,-2.3 4,-2.6 -6,-0.2 5,-0.3 0.439 37.8 97.3-103.6 -2.7 -12.0 32.2 -7.1 93 95 A R H > S+ 0 0 78 -6,-0.5 4,-3.0 -5,-0.3 5,-0.3 0.915 83.5 47.0 -59.1 -47.5 -8.9 32.4 -4.8 94 96 A K H > S+ 0 0 137 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.942 115.7 45.0 -60.0 -46.3 -9.0 36.0 -3.9 95 97 A A H > S+ 0 0 25 -4,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.896 115.2 46.0 -61.5 -44.2 -12.7 36.0 -3.1 96 98 A V H X S+ 0 0 1 -4,-2.6 4,-1.0 2,-0.2 -2,-0.2 0.964 113.4 49.9 -66.5 -47.0 -12.6 32.7 -1.1 97 99 A M H >< S+ 0 0 70 -4,-3.0 3,-1.0 -5,-0.3 -2,-0.2 0.921 111.0 51.0 -59.2 -42.1 -9.5 33.9 0.8 98 100 A K H >< S+ 0 0 146 -4,-2.5 3,-1.1 -5,-0.3 -1,-0.2 0.861 106.4 53.7 -61.3 -41.6 -11.2 37.2 1.5 99 101 A A H 3< S+ 0 0 27 -4,-1.8 -1,-0.3 1,-0.2 101,-0.2 0.705 106.8 52.0 -70.0 -19.1 -14.4 35.6 2.9 100 102 A I T << S+ 0 0 11 -3,-1.0 248,-0.4 -4,-1.0 -1,-0.2 0.193 82.2 104.7-110.6 18.2 -12.5 33.4 5.4 101 103 A T S < S- 0 0 47 -3,-1.1 3,-0.4 -4,-0.1 244,-0.0 -0.342 81.9-117.7 -79.6 166.3 -10.5 36.1 7.2 102 104 A P S S+ 0 0 11 0, 0.0 6,-0.4 0, 0.0 5,-0.1 0.280 93.2 95.5 -81.1 15.0 -11.6 37.2 10.7 103 105 A K + 0 0 113 -5,-0.2 3,-0.1 4,-0.1 -4,-0.1 0.547 43.1 114.7 -87.0 -24.5 -12.2 40.8 9.2 104 106 A A S > S- 0 0 60 -3,-0.4 3,-2.0 1,-0.1 4,-0.5 -0.242 79.9 -98.5 -47.2 134.1 -15.9 40.9 8.3 105 107 A P T 3 S+ 0 0 134 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.367 108.9 17.8 -50.0 137.4 -17.7 43.4 10.5 106 108 A G T 3> S+ 0 0 51 -3,-0.1 4,-2.2 -2,-0.0 5,-0.1 0.178 95.1 106.6 91.6 -19.4 -19.5 41.8 13.4 107 109 A L H <> S+ 0 0 8 -3,-2.0 4,-2.3 1,-0.2 5,-0.2 0.934 81.4 42.7 -69.4 -49.8 -17.4 38.5 13.2 108 110 A E H > S+ 0 0 54 -4,-0.5 4,-2.5 -6,-0.4 -1,-0.2 0.902 115.2 51.1 -59.8 -39.5 -15.2 38.9 16.2 109 111 A Q H > S+ 0 0 96 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.888 109.8 52.1 -61.6 -41.1 -18.2 40.2 18.3 110 112 A F H X S+ 0 0 39 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.904 109.0 48.6 -63.2 -39.5 -20.1 37.1 17.1 111 113 A L H X S+ 0 0 1 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.905 113.7 47.1 -70.1 -39.9 -17.4 34.8 18.3 112 114 A R H X S+ 0 0 82 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.942 113.4 47.7 -66.6 -47.1 -17.2 36.5 21.7 113 115 A D H X S+ 0 0 80 -4,-3.1 4,-2.3 -5,-0.2 -1,-0.2 0.918 114.1 46.7 -56.4 -43.5 -20.9 36.4 22.1 114 116 A T H X S+ 0 0 25 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.938 112.5 49.2 -65.8 -49.3 -21.1 32.8 21.1 115 117 A A H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.916 113.7 48.1 -55.2 -47.2 -18.1 31.7 23.4 116 118 A N H X S+ 0 0 50 -4,-2.9 4,-2.7 -5,-0.2 -1,-0.2 0.890 110.3 49.8 -65.1 -40.2 -19.8 33.6 26.3 117 119 A S H X S+ 0 0 66 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.892 111.9 48.0 -62.9 -47.8 -23.2 32.1 25.7 118 120 A L H X S+ 0 0 36 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.940 114.5 47.3 -58.8 -45.4 -21.7 28.5 25.6 119 121 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.899 109.2 52.8 -66.0 -38.2 -19.7 29.2 28.8 120 122 A D H X S+ 0 0 66 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.907 108.4 52.2 -63.4 -42.8 -22.7 30.7 30.7 121 123 A N H X S+ 0 0 110 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.891 110.3 47.5 -56.8 -44.3 -24.7 27.5 29.8 122 124 A L H X S+ 0 0 17 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.907 111.5 50.1 -62.7 -42.7 -21.9 25.4 31.2 123 125 A I H < S+ 0 0 64 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.911 110.9 49.9 -64.9 -40.8 -21.7 27.5 34.4 124 126 A T H < S+ 0 0 123 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.923 110.9 48.7 -61.5 -43.6 -25.5 27.2 34.8 125 127 A E H < S- 0 0 104 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.838 111.7-130.2 -73.3 -27.7 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