==== 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 OXIDOREDUCTASE 25-APR-08 3CY0 . COMPND 2 MOLECULE: CYTOCHROME P450 121; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR D.LEYS . 394 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17076.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 268 68.0 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 . 17 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 150 38.1 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 0 3 2 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 0 159 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 108.1 13.2 -9.8 13.3 2 4 A T - 0 0 138 1,-0.0 3,-0.1 3,-0.0 0, 0.0 -0.920 360.0-118.0-114.1 143.2 11.5 -6.5 13.7 3 5 A V - 0 0 111 -2,-0.4 2,-0.1 1,-0.1 3,-0.1 -0.213 42.3 -80.6 -70.5 163.8 9.0 -4.9 11.3 4 6 A L - 0 0 41 1,-0.1 -1,-0.1 28,-0.1 29,-0.1 -0.462 65.0 -87.5 -59.3 134.1 9.4 -1.5 9.5 5 7 A L - 0 0 63 26,-0.3 28,-2.5 -2,-0.1 2,-0.3 -0.249 49.2-138.3 -46.1 127.0 8.5 1.3 11.9 6 8 A E B -a 33 0A 128 26,-0.2 28,-0.2 -3,-0.1 -1,-0.1 -0.627 19.9-108.2 -95.3 145.9 4.8 2.0 11.7 7 9 A V S S+ 0 0 15 26,-2.4 28,-0.2 -2,-0.3 2,-0.1 -0.921 85.0 42.3-121.2 152.6 3.1 5.4 11.7 8 10 A P - 0 0 63 0, 0.0 3,-0.1 0, 0.0 272,-0.1 0.598 65.9-158.2 -78.8 166.2 1.5 7.2 13.4 9 11 A F - 0 0 61 1,-0.3 2,-0.3 270,-0.1 -3,-0.1 0.856 67.5 -4.5 -80.0 -41.6 3.3 6.7 16.7 10 12 A S - 0 0 43 269,-0.2 -1,-0.3 2,-0.1 375,-0.0 -0.964 44.2-149.6-154.1 141.4 0.6 7.8 19.2 11 13 A A + 0 0 30 -2,-0.3 2,-0.3 -3,-0.1 375,-0.2 0.445 67.3 115.9 -87.9 -4.4 -2.9 9.2 19.1 12 14 A R - 0 0 59 1,-0.1 3,-0.2 366,-0.1 -2,-0.1 -0.526 44.6-173.5 -69.8 126.0 -2.2 10.9 22.4 13 15 A G + 0 0 6 -2,-0.3 263,-0.5 1,-0.2 -1,-0.1 0.263 68.9 72.2-107.5 10.6 -2.4 14.7 21.8 14 16 A D S S+ 0 0 38 1,-0.2 2,-0.3 261,-0.1 -1,-0.2 0.536 104.1 22.9-103.4 -12.5 -1.3 15.9 25.2 15 17 A R S S- 0 0 92 -3,-0.2 -1,-0.2 261,-0.1 -3,-0.0 -0.989 73.9-121.2-151.5 149.2 2.4 15.0 25.0 16 18 A I - 0 0 41 -2,-0.3 -3,-0.1 -3,-0.1 2,-0.0 -0.763 37.7-109.9 -87.9 135.8 5.0 14.3 22.4 17 19 A P >> - 0 0 35 0, 0.0 3,-1.7 0, 0.0 4,-0.6 -0.364 16.7-129.7 -61.3 141.1 6.6 10.9 22.4 18 20 A D H 3> S+ 0 0 145 1,-0.3 4,-1.3 2,-0.2 3,-0.2 0.762 105.5 74.0 -59.7 -24.4 10.3 11.0 23.4 19 21 A A H 3> S+ 0 0 55 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.746 82.3 65.4 -60.9 -29.7 10.8 8.9 20.2 20 22 A V H <> S+ 0 0 1 -3,-1.7 4,-2.9 1,-0.2 5,-0.2 0.977 104.3 44.2 -58.1 -51.4 10.3 11.9 18.0 21 23 A A H X S+ 0 0 47 -4,-0.6 4,-1.7 -3,-0.2 -1,-0.2 0.864 112.1 52.8 -63.5 -37.0 13.4 13.6 19.3 22 24 A E H X S+ 0 0 82 -4,-1.3 4,-2.0 2,-0.2 -1,-0.2 0.921 112.8 45.1 -63.5 -42.6 15.5 10.4 19.1 23 25 A L H X S+ 0 0 20 -4,-2.2 4,-3.8 2,-0.2 -2,-0.2 0.924 109.2 53.4 -69.7 -47.8 14.4 10.0 15.5 24 26 A R H < S+ 0 0 22 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.876 114.0 44.5 -53.5 -39.6 15.0 13.6 14.4 25 27 A T H < S+ 0 0 123 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.880 125.3 31.3 -73.7 -39.4 18.6 13.3 15.8 26 28 A R H < S+ 0 0 77 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.2 0.862 139.4 3.7 -88.2 -40.4 19.3 9.9 14.3 27 29 A E < + 0 0 84 -4,-3.8 -1,-0.2 -5,-0.2 -2,-0.2 -0.575 56.3 178.3-155.9 73.4 17.3 9.8 11.1 28 30 A P S S+ 0 0 33 0, 0.0 16,-2.4 0, 0.0 17,-0.6 0.613 86.2 36.2 -66.9 -14.1 15.4 13.0 10.2 29 31 A I E S+ B 0 43A 7 14,-0.2 2,-0.3 -6,-0.1 14,-0.2 -0.950 85.1 151.2-129.5 123.4 14.2 11.3 7.1 30 32 A R E - B 0 42A 57 12,-2.0 12,-3.4 -2,-0.4 2,-0.2 -0.989 45.1 -94.6-152.5 160.0 13.4 7.7 7.3 31 33 A K E + B 0 41A 30 -2,-0.3 -26,-0.3 10,-0.2 2,-0.3 -0.482 44.0 166.2 -79.1 137.3 11.3 4.8 6.0 32 34 A V E - B 0 40A 0 8,-2.8 8,-2.2 -2,-0.2 2,-0.4 -0.916 32.8-119.8-140.4 163.1 8.1 3.9 7.7 33 35 A R E -aB 6 39A 87 -28,-2.5 -26,-2.4 -2,-0.3 6,-0.2 -0.943 25.9-147.2-108.9 135.0 4.9 1.9 7.0 34 36 A T > - 0 0 6 4,-2.5 3,-2.0 -2,-0.4 38,-0.1 -0.390 36.2 -92.3 -92.7 173.9 1.5 3.5 6.9 35 37 A I T 3 S+ 0 0 60 36,-0.5 135,-0.1 1,-0.3 37,-0.1 0.659 124.5 58.7 -63.3 -18.9 -1.8 2.0 8.0 36 38 A T T 3 S- 0 0 51 34,-0.5 -1,-0.3 35,-0.4 3,-0.1 0.586 119.2-106.9 -84.0 -8.9 -2.4 0.9 4.4 37 39 A G S < S+ 0 0 38 -3,-2.0 -2,-0.1 1,-0.3 2,-0.1 0.298 78.1 134.0 94.0 -8.7 0.8 -1.2 4.3 38 40 A A - 0 0 18 32,-0.5 -4,-2.5 -5,-0.1 -1,-0.3 -0.382 55.5-122.4 -69.2 153.2 2.5 1.3 2.0 39 41 A E E +B 33 0A 97 -6,-0.2 263,-0.4 -3,-0.1 2,-0.3 -0.665 36.4 169.7 -90.1 151.6 6.1 2.5 2.6 40 42 A A E -B 32 0A 2 -8,-2.2 -8,-2.8 -2,-0.2 2,-0.6 -0.954 36.5-110.0-153.0 164.0 6.7 6.3 3.0 41 43 A W E -Bc 31 303A 40 261,-2.2 263,-3.2 -2,-0.3 2,-0.6 -0.931 28.1-150.8 -99.6 119.5 9.5 8.7 4.1 42 44 A L E -Bc 30 304A 3 -12,-3.4 -12,-2.0 -2,-0.6 2,-0.5 -0.859 9.2-160.5 -93.8 122.0 8.8 10.3 7.5 43 45 A V E +Bc 29 305A 0 261,-3.1 263,-2.8 -2,-0.6 -14,-0.2 -0.915 20.2 163.5-108.5 122.4 10.5 13.8 7.7 44 46 A S + 0 0 0 -16,-2.4 2,-0.3 -2,-0.5 -20,-0.1 0.394 40.2 91.1-129.0 2.3 11.0 15.2 11.2 45 47 A S S > S- 0 0 12 -17,-0.6 4,-2.9 1,-0.1 265,-0.3 -0.758 72.4-128.0 -98.5 151.3 13.5 18.1 11.2 46 48 A Y H > S+ 0 0 23 263,-0.4 4,-2.4 -2,-0.3 5,-0.2 0.949 110.9 51.6 -55.8 -48.0 12.5 21.7 10.8 47 49 A A H > S+ 0 0 61 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.947 115.4 38.5 -55.2 -53.6 15.1 22.0 8.0 48 50 A L H > S+ 0 0 18 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.851 113.8 54.9 -73.0 -34.1 13.9 19.0 6.0 49 51 A C H X S+ 0 0 0 -4,-2.9 4,-2.5 2,-0.2 -1,-0.2 0.903 111.1 46.0 -61.7 -44.2 10.1 19.6 6.6 50 52 A T H X S+ 0 0 15 -4,-2.4 4,-1.9 -5,-0.3 -2,-0.2 0.906 109.0 55.1 -66.2 -43.5 10.5 23.1 5.2 51 53 A Q H X S+ 0 0 66 -4,-2.1 4,-0.6 -5,-0.2 -2,-0.2 0.953 112.7 43.2 -54.8 -47.9 12.5 21.9 2.2 52 54 A V H >< S+ 0 0 0 -4,-2.3 3,-1.2 1,-0.2 6,-0.3 0.938 113.3 49.2 -65.3 -46.1 9.7 19.4 1.3 53 55 A L H 3< S+ 0 0 6 -4,-2.5 287,-0.6 1,-0.3 288,-0.3 0.787 112.9 49.1 -66.8 -26.1 6.8 21.8 1.9 54 56 A E H 3< S+ 0 0 114 -4,-1.9 2,-0.7 285,-0.2 -1,-0.3 0.461 96.0 78.3 -92.7 -1.1 8.5 24.5 -0.2 55 57 A D X< - 0 0 28 -3,-1.2 3,-2.2 -4,-0.6 -1,-0.1 -0.904 63.5-162.9-111.9 105.1 9.3 22.2 -3.2 56 58 A R T 3 S+ 0 0 166 -2,-0.7 -1,-0.1 1,-0.3 4,-0.1 0.624 82.3 80.9 -63.8 -13.5 6.1 21.7 -5.2 57 59 A R T 3 S+ 0 0 118 1,-0.2 230,-2.4 2,-0.1 2,-0.9 0.660 80.3 73.3 -67.4 -14.6 7.7 18.7 -6.9 58 60 A F E < S-D 286 0A 4 -3,-2.2 2,-0.4 -6,-0.3 228,-0.2 -0.902 92.8-157.4 -91.9 96.7 6.5 17.0 -3.7 59 61 A S E -D 285 0A 23 226,-2.7 226,-2.7 -2,-0.9 4,-0.3 -0.676 37.0-169.9 -94.8 134.5 2.9 17.2 -4.8 60 62 A M S > S+ 0 0 49 -2,-0.4 3,-1.2 224,-0.2 4,-0.3 0.897 94.2 55.4 -75.2 -47.0 -0.3 17.2 -2.7 61 63 A K G > S+ 0 0 128 1,-0.2 3,-1.7 2,-0.2 -1,-0.1 0.901 103.0 55.1 -52.8 -45.1 -2.4 16.7 -5.9 62 64 A E G > S+ 0 0 36 1,-0.3 3,-1.5 223,-0.2 -1,-0.2 0.627 86.1 79.3 -74.1 -10.2 -0.5 13.6 -7.0 63 65 A T G < S+ 0 0 14 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.2 0.735 90.3 59.0 -59.6 -22.9 -1.2 11.8 -3.6 64 66 A A G < S+ 0 0 15 -3,-1.7 -1,-0.2 -4,-0.3 -2,-0.2 0.452 78.8 125.2 -87.9 0.9 -4.6 11.1 -5.1 65 67 A A S X S- 0 0 45 -3,-1.5 3,-2.0 1,-0.1 -3,-0.0 -0.303 72.4-105.5 -68.1 136.6 -3.2 9.2 -8.2 66 68 A A T 3 S+ 0 0 107 1,-0.2 -1,-0.1 -2,-0.0 -2,-0.1 -0.351 106.8 19.2 -57.6 136.5 -4.6 5.7 -8.7 67 69 A G T 3 S+ 0 0 86 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.438 91.0 136.5 81.4 -2.9 -1.9 3.2 -7.7 68 70 A A < - 0 0 18 -3,-2.0 2,-0.3 1,-0.1 -1,-0.2 -0.409 67.6 -97.3 -67.8 151.1 0.1 5.6 -5.5 69 71 A P - 0 0 39 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.584 52.1-145.4 -64.7 133.3 1.4 4.5 -2.1 70 72 A R - 0 0 57 -2,-0.3 -32,-0.5 1,-0.1 -34,-0.5 -0.866 31.7-160.2-114.7 139.9 -1.1 5.9 0.4 71 73 A L S S- 0 0 14 -2,-0.4 -36,-0.5 1,-0.3 -35,-0.4 0.889 88.0 -25.6 -65.5 -47.8 -1.1 7.3 3.9 72 74 A N S S- 0 0 20 -37,-0.1 -1,-0.3 -38,-0.1 98,-0.2 -0.926 84.8 -69.8-158.3 173.5 -4.8 6.5 4.2 73 75 A A - 0 0 8 96,-3.0 96,-0.3 -2,-0.3 98,-0.1 -0.432 53.7-100.8 -74.0 143.3 -7.8 6.1 2.0 74 76 A L - 0 0 54 -2,-0.1 99,-0.4 1,-0.1 -1,-0.1 -0.429 29.0-172.9 -55.3 134.4 -9.4 9.0 0.2 75 77 A T S S+ 0 0 27 97,-0.1 -1,-0.1 -2,-0.1 105,-0.1 0.340 72.7 44.8-109.9 4.0 -12.5 10.3 1.9 76 78 A V S S- 0 0 37 104,-0.0 5,-0.1 1,-0.0 101,-0.1 -0.896 106.9 -74.3-133.3 164.3 -13.4 12.7 -1.0 77 79 A P >> - 0 0 33 0, 0.0 3,-1.4 0, 0.0 4,-0.7 -0.342 51.2-113.5 -56.4 144.2 -13.5 12.3 -4.7 78 80 A P G >4 S+ 0 0 71 0, 0.0 3,-0.8 0, 0.0 4,-0.4 0.815 116.3 56.8 -51.9 -37.4 -9.8 12.3 -6.1 79 81 A E G >4 S+ 0 0 110 1,-0.2 3,-1.2 2,-0.2 7,-0.2 0.815 96.7 65.3 -64.4 -30.0 -10.2 15.6 -7.9 80 82 A V G X4 S+ 0 0 11 -3,-1.4 3,-1.9 1,-0.3 -1,-0.2 0.739 83.6 73.4 -68.9 -20.9 -11.2 17.2 -4.6 81 83 A V G << S+ 0 0 32 -3,-0.8 3,-0.3 -4,-0.7 -1,-0.3 0.878 97.9 50.4 -57.0 -30.2 -7.7 16.6 -3.2 82 84 A N G <> S+ 0 0 27 -3,-1.2 4,-2.7 -4,-0.4 -1,-0.3 -0.009 74.6 131.5 -95.2 28.7 -6.7 19.4 -5.5 83 85 A N H <> S+ 0 0 7 -3,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.873 70.8 48.2 -51.7 -46.4 -9.5 21.7 -4.2 84 86 A M H > S+ 0 0 45 -3,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.921 111.9 49.0 -68.6 -38.7 -7.2 24.7 -3.7 85 87 A G H > S+ 0 0 16 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.911 112.1 50.6 -58.7 -42.4 -5.7 24.4 -7.2 86 88 A N H X S+ 0 0 47 -4,-2.7 4,-1.3 2,-0.2 -2,-0.2 0.876 108.8 50.2 -64.6 -44.0 -9.2 24.1 -8.5 87 89 A I H <>S+ 0 0 1 -4,-2.5 5,-2.3 2,-0.2 6,-0.5 0.929 113.2 46.8 -54.4 -51.2 -10.3 27.3 -6.7 88 90 A A H ><5S+ 0 0 42 -4,-2.5 3,-1.7 1,-0.2 5,-0.2 0.938 110.7 51.5 -59.1 -48.1 -7.3 29.2 -8.1 89 91 A D H 3<5S+ 0 0 136 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.780 106.8 54.8 -60.0 -28.9 -7.9 27.9 -11.6 90 92 A A T 3<5S- 0 0 21 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.475 116.4-113.5 -84.6 -5.3 -11.6 29.0 -11.4 91 93 A G T < 5S+ 0 0 46 -3,-1.7 4,-0.3 -4,-0.4 3,-0.2 0.590 87.6 114.0 84.9 15.8 -10.5 32.6 -10.5 92 94 A L >< + 0 0 0 -5,-2.3 4,-2.4 -6,-0.2 5,-0.2 0.361 36.1 98.9-105.0 2.0 -12.0 32.3 -7.0 93 95 A R H > S+ 0 0 115 -6,-0.5 4,-2.4 -5,-0.2 5,-0.2 0.944 84.6 47.0 -58.4 -49.6 -8.9 32.4 -4.8 94 96 A K H > S+ 0 0 139 1,-0.2 4,-2.1 -3,-0.2 -1,-0.2 0.903 114.8 47.4 -62.1 -39.8 -9.2 36.1 -3.9 95 97 A A H > S+ 0 0 21 -4,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.902 111.9 47.4 -69.4 -45.1 -12.9 35.8 -3.1 96 98 A V H X S+ 0 0 2 -4,-2.4 4,-1.1 2,-0.2 3,-0.4 0.976 113.5 48.7 -60.3 -50.8 -12.6 32.7 -1.0 97 99 A M H < S+ 0 0 72 -4,-2.4 3,-0.4 1,-0.3 -2,-0.2 0.866 110.3 50.9 -64.1 -37.3 -9.7 34.1 1.1 98 100 A K H >< S+ 0 0 143 -4,-2.1 3,-1.0 -5,-0.2 -1,-0.3 0.844 107.3 54.1 -63.3 -37.4 -11.5 37.4 1.7 99 101 A A H 3< S+ 0 0 25 -4,-1.8 101,-0.2 -3,-0.4 -1,-0.2 0.709 107.4 51.2 -73.5 -18.3 -14.6 35.6 2.9 100 102 A I T 3< S+ 0 0 9 -4,-1.1 248,-0.3 -3,-0.4 -1,-0.2 0.172 81.4 111.0-109.0 18.5 -12.7 33.6 5.5 101 103 A T S X S- 0 0 56 -3,-1.0 3,-0.8 246,-0.1 244,-0.0 -0.606 73.6-126.8 -79.0 152.6 -10.8 36.4 7.3 102 104 A P T 3 S+ 0 0 20 0, 0.0 6,-0.5 0, 0.0 5,-0.1 0.503 95.4 87.7 -73.7 1.5 -11.8 37.3 10.9 103 105 A K T 3 + 0 0 81 -5,-0.1 3,-0.1 4,-0.1 -4,-0.1 0.519 52.3 120.6 -83.2 -7.1 -12.1 40.9 9.7 104 106 A A S X> S- 0 0 51 -3,-0.8 3,-1.9 1,-0.1 4,-0.5 -0.314 79.1 -93.3 -56.0 136.6 -15.8 40.8 8.5 105 107 A P T 34 S+ 0 0 135 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.243 109.0 8.5 -44.3 135.7 -18.0 43.3 10.4 106 108 A G T 3> S+ 0 0 57 -3,-0.1 4,-1.9 1,-0.1 5,-0.1 0.338 98.2 109.9 74.8 -5.3 -19.6 41.7 13.4 107 109 A L H <> S+ 0 0 8 -3,-1.9 4,-2.6 2,-0.2 5,-0.2 0.972 78.0 42.7 -70.7 -55.3 -17.7 38.4 13.1 108 110 A E H X S+ 0 0 72 -4,-0.5 4,-2.2 -6,-0.5 -1,-0.2 0.819 115.0 52.3 -59.4 -31.1 -15.4 38.8 16.2 109 111 A Q H > S+ 0 0 96 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.875 108.5 49.7 -77.8 -36.8 -18.3 40.0 18.2 110 112 A F H X S+ 0 0 48 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.914 110.6 51.7 -59.5 -46.2 -20.4 37.1 17.2 111 113 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.905 113.2 43.7 -56.3 -48.4 -17.5 34.8 18.2 112 114 A R H X S+ 0 0 71 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.934 114.2 49.2 -65.0 -46.8 -17.2 36.4 21.6 113 115 A D H X S+ 0 0 80 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