==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-OCT-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 20-MAY-13 4KTL . COMPND 2 MOLECULE: CYTOCHROME P450 121; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR S.A.HUDSON . 393 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16996.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 265 67.4 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 . 15 3.8 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 . 149 37.9 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 2 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 4 A T 0 0 201 0, 0.0 2,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 169.9 11.3 -6.7 13.8 2 5 A V - 0 0 110 1,-0.1 3,-0.1 3,-0.0 2,-0.0 -0.478 360.0 -75.9 -96.1 166.0 9.1 -5.1 11.2 3 6 A L - 0 0 42 -2,-0.2 -1,-0.1 1,-0.1 29,-0.1 -0.412 66.7 -86.3 -59.9 140.4 9.6 -1.6 9.6 4 7 A L - 0 0 58 26,-0.3 28,-2.1 27,-0.1 2,-0.3 -0.239 49.7-139.0 -50.8 134.9 8.6 1.2 12.0 5 8 A E B -a 32 0A 112 26,-0.2 28,-0.2 -3,-0.1 -1,-0.1 -0.719 18.2-107.6-102.4 146.9 4.9 1.9 11.7 6 9 A V S S+ 0 0 18 26,-2.1 28,-0.2 -2,-0.3 2,-0.1 -0.944 86.2 42.8-119.1 153.1 3.1 5.3 11.7 7 10 A P - 0 0 60 0, 0.0 3,-0.1 0, 0.0 272,-0.1 0.492 64.5-162.3 -79.2 162.1 1.4 6.9 13.4 8 11 A F - 0 0 64 1,-0.3 2,-0.3 -2,-0.1 -3,-0.1 0.845 68.1 -6.0 -75.4 -41.7 3.3 6.4 16.7 9 12 A S - 0 0 42 269,-0.2 -1,-0.3 2,-0.1 370,-0.0 -0.918 45.4-146.6-157.6 133.7 0.6 7.5 19.3 10 13 A A + 0 0 30 -2,-0.3 2,-0.3 -3,-0.1 375,-0.2 0.454 65.1 120.2 -76.1 -5.6 -2.9 9.1 19.1 11 14 A R - 0 0 75 1,-0.1 3,-0.3 366,-0.1 -2,-0.1 -0.487 42.5-172.2 -67.0 128.3 -2.2 11.0 22.3 12 15 A G S S+ 0 0 6 -2,-0.3 263,-0.4 1,-0.2 -1,-0.1 0.296 74.0 66.4-103.8 7.7 -2.5 14.7 21.8 13 16 A D S S+ 0 0 21 1,-0.2 2,-0.3 261,-0.1 -1,-0.2 0.418 105.0 32.1-109.2 -2.5 -1.2 15.8 25.2 14 17 A R S S- 0 0 75 -3,-0.3 -1,-0.2 261,-0.1 -3,-0.0 -0.974 71.1-128.9-153.9 139.6 2.4 14.5 25.0 15 18 A I - 0 0 45 -2,-0.3 -3,-0.1 -3,-0.1 305,-0.0 -0.775 37.7-111.8 -87.4 135.1 5.0 14.1 22.3 16 19 A P >> - 0 0 33 0, 0.0 3,-1.8 0, 0.0 4,-0.5 -0.341 16.8-128.8 -65.4 141.9 6.6 10.6 22.2 17 20 A D H 3> S+ 0 0 143 1,-0.3 4,-1.3 2,-0.2 3,-0.5 0.793 104.8 74.6 -58.6 -28.4 10.3 10.6 23.2 18 21 A A H 3> S+ 0 0 47 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.773 82.4 64.5 -52.7 -35.6 10.8 8.7 20.1 19 22 A V H <> S+ 0 0 3 -3,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.949 103.2 46.4 -59.0 -47.3 10.3 11.8 17.9 20 23 A A H X S+ 0 0 49 -4,-0.5 4,-2.5 -3,-0.5 -1,-0.2 0.885 112.7 51.3 -66.1 -32.7 13.5 13.5 19.3 21 24 A E H X S+ 0 0 75 -4,-1.3 4,-2.4 1,-0.2 5,-0.4 0.927 112.5 45.6 -71.3 -42.3 15.5 10.3 18.9 22 25 A L H X S+ 0 0 17 -4,-2.6 4,-2.9 2,-0.2 -1,-0.2 0.919 111.6 51.4 -57.5 -49.8 14.4 10.0 15.3 23 26 A R H < S+ 0 0 19 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.907 114.4 44.3 -60.6 -41.2 15.1 13.6 14.5 24 27 A T H < S+ 0 0 119 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.925 127.0 26.5 -69.1 -43.0 18.6 13.3 16.0 25 28 A R H < S+ 0 0 106 -4,-2.4 -3,-0.2 1,-0.2 -2,-0.2 0.811 138.6 8.7 -96.2 -35.4 19.6 10.0 14.3 26 29 A E < + 0 0 32 -4,-2.9 -1,-0.2 -5,-0.4 -2,-0.2 -0.571 58.0 176.2-150.2 73.1 17.5 9.7 11.1 27 30 A P S S+ 0 0 35 0, 0.0 16,-2.7 0, 0.0 17,-0.6 0.581 84.2 37.6 -65.8 -13.8 15.6 12.9 10.3 28 31 A I E S+ B 0 42A 12 14,-0.2 2,-0.3 -6,-0.1 14,-0.2 -0.959 84.2 151.7-127.9 126.8 14.4 11.3 7.1 29 32 A R E - B 0 41A 81 12,-2.0 12,-3.3 -2,-0.4 2,-0.2 -0.998 44.6 -97.9-154.7 157.3 13.6 7.6 7.4 30 33 A K E + B 0 40A 31 -2,-0.3 -26,-0.3 10,-0.2 2,-0.3 -0.433 43.7 163.8 -77.8 143.2 11.4 4.8 5.9 31 34 A V E - B 0 39A 0 8,-2.8 8,-2.5 -2,-0.2 2,-0.4 -0.913 33.8-118.2-147.6 168.3 8.2 3.9 7.7 32 35 A R E -aB 5 38A 76 -28,-2.1 -26,-2.1 -2,-0.3 6,-0.2 -0.955 25.3-146.1-116.3 136.8 5.1 1.9 6.9 33 36 A T > - 0 0 6 4,-2.6 3,-2.1 -2,-0.4 38,-0.1 -0.373 36.3 -91.9 -95.7 175.5 1.6 3.5 6.9 34 37 A I T 3 S+ 0 0 39 36,-0.5 135,-0.1 1,-0.3 37,-0.1 0.688 124.3 59.8 -64.8 -17.8 -1.7 2.0 7.9 35 38 A T T 3 S- 0 0 52 34,-0.4 -1,-0.3 35,-0.4 3,-0.1 0.512 118.6-107.8 -81.0 -7.9 -2.3 0.9 4.3 36 39 A G S < S+ 0 0 38 -3,-2.1 -2,-0.1 1,-0.3 34,-0.1 0.216 77.6 133.7 90.5 -6.9 0.9 -1.2 4.1 37 40 A A - 0 0 19 32,-0.4 -4,-2.6 -5,-0.1 -1,-0.3 -0.358 56.0-122.5 -72.5 150.4 2.6 1.4 1.9 38 41 A E E +B 32 0A 96 -6,-0.2 263,-0.4 -3,-0.1 2,-0.3 -0.621 36.3 172.2 -85.9 150.3 6.2 2.5 2.6 39 42 A A E -B 31 0A 2 -8,-2.5 -8,-2.8 -2,-0.2 2,-0.6 -0.979 35.9-110.2-151.4 161.4 6.9 6.2 3.0 40 43 A W E -Bc 30 302A 42 261,-2.5 263,-2.9 -2,-0.3 2,-0.6 -0.888 28.3-152.0 -93.9 118.1 9.7 8.6 4.1 41 44 A L E -Bc 29 303A 6 -12,-3.3 -12,-2.0 -2,-0.6 2,-0.5 -0.805 9.6-160.9 -91.7 118.1 9.0 10.2 7.5 42 45 A V E +Bc 28 304A 0 261,-2.9 263,-2.6 -2,-0.6 -14,-0.2 -0.931 19.4 164.1-106.5 125.4 10.7 13.7 7.7 43 46 A S + 0 0 0 -16,-2.7 2,-0.3 -2,-0.5 -20,-0.1 0.364 39.2 86.7-129.7 4.9 11.2 15.1 11.2 44 47 A S S > S- 0 0 12 -17,-0.6 4,-3.1 1,-0.1 265,-0.3 -0.810 74.5-122.8-106.4 156.1 13.6 18.0 11.4 45 48 A Y H > S+ 0 0 25 263,-0.4 4,-2.9 -2,-0.3 5,-0.3 0.929 112.1 51.4 -54.1 -48.1 12.7 21.6 10.8 46 49 A A H > S+ 0 0 64 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.938 115.6 39.7 -62.1 -44.8 15.3 21.9 8.0 47 50 A L H > S+ 0 0 21 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.875 113.2 54.4 -76.7 -37.3 14.0 18.9 6.1 48 51 A C H X S+ 0 0 0 -4,-3.1 4,-2.3 2,-0.2 -1,-0.2 0.932 110.9 45.4 -59.0 -47.3 10.4 19.6 6.7 49 52 A T H X S+ 0 0 17 -4,-2.9 4,-1.9 -5,-0.3 -2,-0.2 0.919 109.0 56.9 -65.6 -35.6 10.7 23.1 5.3 50 53 A Q H < S+ 0 0 63 -4,-1.9 4,-0.4 -5,-0.3 -2,-0.2 0.949 111.0 43.3 -56.4 -48.0 12.7 21.8 2.3 51 54 A V H >< S+ 0 0 0 -4,-2.3 3,-1.3 1,-0.2 6,-0.3 0.943 114.6 48.1 -64.9 -46.9 9.8 19.4 1.3 52 55 A L H 3< S+ 0 0 6 -4,-2.3 287,-0.5 1,-0.3 288,-0.3 0.772 112.3 49.8 -69.7 -26.6 7.0 21.8 1.9 53 56 A E T 3< S+ 0 0 113 -4,-1.9 2,-0.6 -5,-0.2 -1,-0.3 0.398 97.1 77.2 -88.7 -2.3 8.8 24.6 -0.1 54 57 A D X - 0 0 32 -3,-1.3 3,-2.3 -4,-0.4 -1,-0.1 -0.921 63.6-162.6-115.5 106.6 9.5 22.3 -3.2 55 58 A R T 3 S+ 0 0 167 -2,-0.6 -1,-0.1 1,-0.3 4,-0.1 0.652 82.2 81.4 -69.6 -11.9 6.4 21.8 -5.3 56 59 A R T 3 S+ 0 0 119 1,-0.1 230,-2.1 2,-0.1 2,-1.0 0.756 81.0 73.3 -62.6 -19.3 8.0 18.8 -7.0 57 60 A F E < S-D 285 0A 4 -3,-2.3 2,-0.4 -6,-0.3 228,-0.3 -0.871 93.2-156.3 -88.9 97.1 6.7 17.1 -3.7 58 61 A S E -D 284 0A 19 226,-2.9 226,-2.4 -2,-1.0 4,-0.3 -0.699 35.8-168.6 -95.9 133.3 3.2 17.3 -4.9 59 62 A M S > S+ 0 0 54 -2,-0.4 3,-1.4 224,-0.2 4,-0.3 0.938 94.1 52.3 -70.2 -50.6 -0.0 17.3 -2.9 60 63 A K G > S+ 0 0 62 1,-0.3 3,-1.8 2,-0.2 -1,-0.1 0.874 102.6 58.6 -57.6 -39.8 -2.2 16.8 -6.0 61 64 A E G > S+ 0 0 82 1,-0.3 3,-1.7 223,-0.2 -1,-0.3 0.629 84.9 80.5 -73.9 -12.2 -0.2 13.7 -7.2 62 65 A T G < S+ 0 0 16 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.760 87.9 58.1 -57.5 -25.7 -1.0 11.9 -3.9 63 66 A A G < S+ 0 0 18 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.448 76.8 127.0 -86.5 -1.0 -4.4 11.1 -5.3 64 67 A A S X S- 0 0 38 -3,-1.7 3,-1.9 1,-0.1 2,-0.0 -0.280 71.3-105.2 -59.4 133.3 -2.9 9.2 -8.4 65 68 A A T 3 S+ 0 0 108 1,-0.3 -1,-0.1 0, 0.0 -2,-0.1 -0.380 107.3 20.4 -58.0 136.5 -4.4 5.7 -8.8 66 69 A G T 3 S+ 0 0 87 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.462 90.9 134.6 89.0 -5.3 -1.7 3.2 -7.8 67 70 A A < - 0 0 18 -3,-1.9 -1,-0.3 -5,-0.1 2,-0.2 -0.443 69.0 -96.0 -74.8 155.3 0.4 5.6 -5.6 68 71 A P - 0 0 38 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.578 52.3-149.1 -67.1 134.6 1.6 4.6 -2.1 69 72 A R - 0 0 58 -2,-0.2 -34,-0.4 1,-0.1 -32,-0.4 -0.903 30.7-156.8-116.1 140.7 -1.0 6.0 0.3 70 73 A L S S- 0 0 14 -2,-0.4 -36,-0.5 1,-0.3 -35,-0.4 0.893 87.0 -22.2 -64.3 -45.3 -1.0 7.3 3.8 71 74 A N S S- 0 0 21 -37,-0.1 -1,-0.3 -38,-0.1 98,-0.2 -0.931 83.5 -73.6-158.4 169.8 -4.7 6.5 4.1 72 75 A A - 0 0 9 96,-3.8 96,-0.3 -2,-0.3 2,-0.1 -0.487 53.3-103.1 -74.3 143.9 -7.8 6.0 1.9 73 76 A L - 0 0 52 -2,-0.2 99,-0.4 1,-0.1 -1,-0.1 -0.471 28.8-175.9 -61.6 136.5 -9.5 9.1 0.2 74 77 A T S S+ 0 0 25 -2,-0.1 -1,-0.1 90,-0.1 105,-0.1 0.297 72.8 53.7-109.2 4.9 -12.6 10.2 1.9 75 78 A V S S- 0 0 42 104,-0.0 5,-0.1 1,-0.0 101,-0.1 -0.878 103.6 -82.2-126.1 161.7 -13.2 12.9 -0.9 76 79 A P >> - 0 0 34 0, 0.0 3,-1.8 0, 0.0 4,-0.5 -0.367 48.2-112.2 -60.2 145.5 -13.3 12.6 -4.8 77 80 A P G >4 S+ 0 0 72 0, 0.0 3,-1.5 0, 0.0 4,-0.4 0.842 115.5 60.9 -54.3 -31.1 -9.7 12.5 -6.2 78 81 A E G >4 S+ 0 0 125 1,-0.3 3,-1.2 2,-0.2 7,-0.2 0.781 93.2 65.2 -66.1 -26.9 -10.2 15.9 -7.8 79 82 A V G X4 S+ 0 0 15 -3,-1.8 3,-1.9 1,-0.3 -1,-0.3 0.681 82.8 74.8 -72.2 -17.4 -10.8 17.5 -4.4 80 83 A V G << S+ 0 0 23 -3,-1.5 -1,-0.3 -4,-0.5 3,-0.2 0.848 100.0 46.6 -60.5 -27.1 -7.2 16.6 -3.5 81 84 A N G <> S+ 0 0 37 -3,-1.2 4,-2.6 -4,-0.4 -1,-0.3 -0.073 78.1 134.4 -97.8 32.4 -6.4 19.6 -5.8 82 85 A N H <> S+ 0 0 22 -3,-1.9 4,-2.7 1,-0.2 5,-0.2 0.900 71.7 44.7 -54.2 -46.5 -9.1 21.8 -4.2 83 86 A M H > S+ 0 0 35 -3,-0.2 4,-3.2 1,-0.2 -1,-0.2 0.919 113.3 50.3 -69.0 -37.1 -7.0 25.0 -3.9 84 87 A G H > S+ 0 0 19 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.894 111.6 49.1 -62.6 -39.4 -5.6 24.6 -7.4 85 88 A N H X S+ 0 0 47 -4,-2.6 4,-1.3 2,-0.2 -2,-0.2 0.916 111.6 48.4 -68.2 -42.1 -9.2 24.2 -8.6 86 89 A I H ><>S+ 0 0 0 -4,-2.7 5,-2.1 -5,-0.2 3,-0.6 0.958 113.9 47.7 -57.9 -51.2 -10.3 27.3 -6.7 87 90 A A H ><5S+ 0 0 42 -4,-3.2 3,-1.6 1,-0.2 -2,-0.2 0.921 110.7 50.5 -58.9 -44.8 -7.3 29.2 -8.1 88 91 A D H 3<5S+ 0 0 132 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.727 106.6 55.3 -67.3 -25.4 -7.9 28.0 -11.7 89 92 A A T <<5S- 0 0 22 -4,-1.3 -1,-0.3 -3,-0.6 -2,-0.2 0.446 116.0-115.6 -85.7 -1.0 -11.6 29.1 -11.5 90 93 A G T < 5S+ 0 0 46 -3,-1.6 4,-0.3 -4,-0.3 -3,-0.2 0.652 86.1 114.3 77.0 20.6 -10.4 32.7 -10.5 91 94 A L >< + 0 0 0 -5,-2.1 4,-2.6 -6,-0.2 5,-0.3 0.437 36.8 97.7-102.3 -3.5 -12.0 32.4 -7.0 92 95 A R H > S+ 0 0 95 -6,-0.5 4,-2.5 1,-0.2 5,-0.2 0.946 85.1 47.0 -55.2 -51.5 -8.9 32.4 -4.7 93 96 A K H > S+ 0 0 133 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.932 114.2 48.4 -63.6 -35.8 -9.1 36.2 -3.8 94 97 A A H > S+ 0 0 25 -4,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.901 111.2 47.5 -71.5 -42.0 -12.8 35.9 -3.1 95 98 A V H X S+ 0 0 0 -4,-2.6 4,-1.2 2,-0.2 -1,-0.2 0.955 113.1 50.7 -57.9 -48.8 -12.6 32.8 -0.9 96 99 A M H >< S+ 0 0 69 -4,-2.5 3,-0.5 -5,-0.3 4,-0.2 0.904 109.8 49.4 -61.7 -41.7 -9.7 34.4 1.0 97 100 A K H >< S+ 0 0 91 -4,-2.5 3,-1.2 1,-0.2 -1,-0.2 0.899 108.9 52.5 -64.5 -38.1 -11.6 37.6 1.6 98 101 A A H 3< S+ 0 0 25 -4,-1.9 101,-0.2 1,-0.2 -1,-0.2 0.747 108.2 50.8 -72.9 -20.4 -14.7 35.9 2.9 99 102 A I T << S+ 0 0 11 -4,-1.2 248,-0.3 -3,-0.5 -1,-0.2 0.288 79.9 115.0-106.0 15.3 -12.8 33.8 5.5 100 103 A T X - 0 0 57 -3,-1.2 3,-0.9 -4,-0.2 244,-0.0 -0.528 68.2-132.8 -74.5 148.9 -10.8 36.6 7.2 101 104 A P T 3 S+ 0 0 11 0, 0.0 6,-0.5 0, 0.0 -1,-0.1 0.610 95.8 81.5 -78.9 -4.1 -11.7 37.2 10.9 102 105 A K T 3 + 0 0 101 4,-0.1 3,-0.1 5,-0.1 -3,-0.0 0.526 58.1 123.9 -79.4 -5.1 -11.9 41.0 10.0 103 106 A A S X> S- 0 0 44 -3,-0.9 3,-1.9 -6,-0.1 4,-0.5 -0.245 79.4 -82.8 -52.8 141.1 -15.5 41.0 8.5 104 107 A P T 34 S- 0 0 136 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.231 110.5 -1.1 -50.7 129.8 -17.8 43.5 10.3 105 108 A G T 3> S+ 0 0 57 -3,-0.1 4,-2.0 1,-0.1 5,-0.1 0.286 98.4 113.1 75.5 -8.2 -19.3 42.0 13.5 106 109 A L H <> S+ 0 0 11 -3,-1.9 4,-2.3 1,-0.2 5,-0.2 0.949 77.2 46.5 -66.1 -47.9 -17.6 38.6 13.2 107 110 A E H X S+ 0 0 50 -4,-0.5 4,-2.6 -6,-0.5 -1,-0.2 0.886 112.1 50.8 -57.9 -38.1 -15.3 39.0 16.1 108 111 A Q H > S+ 0 0 93 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.880 108.5 53.7 -71.5 -32.3 -18.1 40.2 18.3 109 112 A F H X S+ 0 0 39 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.923 108.7 48.9 -63.1 -41.5 -20.2 37.2 17.2 110 113 A L H X S+ 0 0 2 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.931 113.4 46.6 -65.4 -45.1 -17.4 34.9 18.3 111 114 A R H X S+ 0 0 64 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.932 114.0 47.3 -61.3 -47.4 -17.1 36.6 21.7 112 115 A D H X S+ 0 0 83 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.868 113.7 48.6 -60.4 -41.7 -20.8 36.6 22.2 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-69.6 -26.5 -18.4 18.9 23.0 133 136 A D T 3<5S+ 0 0 85 -4,-2.1 -1,-0.2 3,-0.1 -3,-0.2 0.244 134.4 11.8-116.7 10.0 -20.1 21.8 24.8 134 137 A F T <>5S+ 0 0 0 -3,-0.6 4,-2.4 -4,-0.2 -3,-0.2 0.357 121.7 39.1-143.5 -73.9 -17.5 24.6 24.1 135 138 A A H > S+ 0 0 40 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.881 112.4 52.2 -64.8 -32.9 -19.9 24.4 19.0 138 141 A L H X S+ 0 0 1 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.944 112.5 45.1 -64.5 -47.6 -17.8 27.5 19.0 139 142 A A H X S+ 0 0 0 -4,-2.4 4,-1.9 -5,-0.2 -1,-0.2 0.880 115.3 47.8 -56.2 -46.0 -16.1 26.2 15.8 140 143 A T H X S+ 0 0 13 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.940 112.3 47.8 -68.4 -46.6 -19.4 25.1 14.2 141 144 A A H X S+ 0 0 12 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.890 111.7 52.0 -61.9 -41.7 -21.2 28.5 15.0 142 145 A L H X S+ 0 0 0 -4,-2.3 4,-3.1 -5,-0.2 -1,-0.2 0.906 110.8 47.0 -58.2 -47.0 -18.2 30.4 13.6 143 146 A H H X S+ 0 0 9 -4,-1.9 4,-2.1 2,-0.2 6,-0.2 0.833 108.3 53.7 -70.8 -33.7 -18.2 28.5 10.4 144 147 A C H X>S+ 0 0 0 -4,-2.2 5,-2.2 2,-0.2 4,-1.3 0.943 113.5 45.3 -59.0 -45.5 -22.0 28.8 9.8 145 148 A K H <5S+ 0 0 96 -4,-2.0 3,-0.5 1,-0.2 -2,-0.2 0.932 113.0 49.5 -65.0 -44.6 -21.5 32.6 10.2 146 149 A V H <5S+ 0 0 7 -4,-3.1 53,-3.0 1,-0.3 -1,-0.2 0.858 115.6 42.9 -58.5 -41.3 -18.5 32.7 7.9 147 150 A L H <5S- 0 0 1 -4,-2.1 53,-2.5 51,-0.3 54,-0.5 0.672 109.6-124.6 -79.8 -21.7 -20.3 30.7 5.3 148 151 A G T <5 + 0 0 12 -4,-1.3 49,-0.4 -3,-0.5 -3,-0.2 0.705 64.8 134.1 78.0 26.9 -23.6 32.8 5.7 149 152 A I < - 0 0 8 -5,-2.2 -1,-0.3 -6,-0.2 -2,-0.1 -0.697 66.4 -77.7-103.0 158.4 -25.7 29.7 6.4 150 153 A P > - 0 0 54 0, 0.0 3,-1.6 0, 0.0 4,-0.4 -0.247 30.9-134.0 -60.2 141.5 -28.2 29.2 9.1 151 154 A Q G > S+ 0 0 73 1,-0.3 3,-1.5 2,-0.2 -7,-0.1 0.832 104.9 63.0 -57.1 -37.7 -26.8 28.5 12.6 152 155 A E G 3 S+ 0 0 100 1,-0.3 4,-0.3 2,-0.2 -1,-0.3 0.651 95.0 58.5 -68.3 -15.9 -29.4 25.8 13.0 153 156 A D G <> S+ 0 0 44 -3,-1.6 4,-1.8 1,-0.2 -1,-0.3 0.560 84.5 87.1 -83.9 -13.5 -27.9 23.8 10.1 154 157 A G H <> S+ 0 0 0 -3,-1.5 4,-2.7 -4,-0.4 5,-0.2 0.920 83.4 52.5 -53.4 -55.6 -24.4 23.6 11.9 155 158 A P H > S+ 0 0 66 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.898 108.7 47.1 -56.5 -41.0 -25.1 20.5 14.0 156 159 A K H > S+ 0 0 91 -4,-0.3 4,-0.5 1,-0.2 -2,-0.2 0.931 115.3 46.6 -71.0 -39.1 -26.2 18.3 11.1 157 160 A L H >< S+ 0 0 10 -4,-1.8 3,-1.1 1,-0.2 4,-0.3 0.901 110.0 54.6 -60.7 -43.1 -23.2 19.3 9.0 158 161 A F H >< S+ 0 0 43 -4,-2.7 3,-1.8 1,-0.2 4,-0.4 0.824 95.6 66.6 -59.7 -36.4 -20.8 18.9 11.9 159 162 A R H 3< S+ 0 0 158 -4,-1.7 3,-0.3 1,-0.3 -1,-0.2 0.695 91.3 63.4 -71.8 -10.0 -22.0 15.2 12.5 160 163 A S T XX S+ 0 0 1 -3,-1.1 4,-2.8 -4,-0.5 3,-1.4 0.741 87.7 75.4 -70.3 -23.7 -20.4 14.2 9.2 161 164 A L H <> S+ 0 0 9 -3,-1.8 4,-2.0 -4,-0.3 -1,-0.2 0.747 77.8 65.7 -77.1 -24.7 -17.0 15.1 10.4 162 165 A S H 34 S+ 0 0 55 -4,-0.4 -1,-0.3 -3,-0.3 -2,-0.1 0.703 119.7 29.0 -65.5 -15.4 -16.2 12.1 12.8 163 166 A I H X4 S+ 0 0 43 -3,-1.4 3,-2.1 -4,-0.2 -2,-0.2 0.759 114.5 60.2-106.8 -43.5 -16.3 10.1 9.6 164 167 A A H 3< S+ 0 0 27 -4,-2.8 -3,-0.2 1,-0.3 -2,-0.2 0.821 109.4 45.0 -60.0 -33.4 -15.1 12.6 7.0 165 168 A F T 3< S+ 0 0 30 -4,-2.0 217,-2.9 -5,-0.2 -1,-0.3 0.144 83.1 132.6 -97.8 17.5 -11.8 13.2 8.8 166 169 A M B < -H 381 0C 63 -3,-2.1 2,-0.5 215,-0.2 215,-0.3 -0.312 52.6-143.4 -63.0 151.1 -11.0 9.6 9.5 167 170 A S + 0 0 3 213,-2.4 2,-0.3 212,-0.1 -94,-0.1 -0.845 40.6 169.4-118.1 86.6 -7.5 8.3 8.6 168 171 A S - 0 0 28 -2,-0.5 -96,-3.8 -96,-0.3 -133,-0.1 -0.723 46.2-140.0-110.7 141.9 -8.5 4.8 7.4 169 172 A A S S+ 0 0 22 -2,-0.3 -1,-0.1 -98,-0.2 -100,-0.1 0.779 91.6 37.6 -66.0 -29.4 -6.7 2.1 5.6 170 173 A D S S- 0 0 109 -98,-0.1 -98,-0.2 1,-0.1 -2,-0.1 -0.892 99.1 -82.9-124.8 160.6 -9.7 1.4 3.4 171 174 A P - 0 0 107 0, 0.0 -97,-0.1 0, 0.0 -1,-0.1 -0.201 43.6-134.0 -56.7 154.7 -12.5 3.4 1.7 172 175 A I >> - 0 0 27 -99,-0.4 4,-1.3 1,-0.2 3,-1.1 -0.927 8.2-156.5-122.2 108.1 -15.4 4.3 4.0 173 176 A P H 3> S+ 0 0 107 0, 0.0 4,-1.9 0, 0.0 3,-0.4 0.902 95.1 54.2 -51.8 -40.8 -19.0 3.8 2.8 174 177 A A H 3> S+ 0 0 30 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.786 98.4 63.2 -66.9 -30.8 -20.4 6.4 5.1 175 178 A A H <> S+ 0 0 6 -3,-1.1 4,-2.3 2,-0.2 -1,-0.2 0.926 106.0 45.9 -59.8 -42.6 -18.0 9.1 3.9 176 179 A K H X S+ 0 0 136 -4,-1.3 4,-2.8 -3,-0.4 5,-0.3 0.940 111.7 50.6 -62.9 -47.4 -19.6 8.9 0.4 177 180 A I H X S+ 0 0 114 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.948 116.3 41.6 -56.5 -49.3 -23.1 8.9 1.8 178 181 A N H X S+ 0 0 26 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.856 113.6 53.1 -64.4 -42.3 -22.3 12.0 3.9 179 182 A W H X S+ 0 0 35 -4,-2.3 4,-2.6 -5,-0.2 5,-0.2 0.964 109.8 46.5 -59.1 -52.0 -20.4 13.7 1.2 180 183 A D H X S+ 0 0 68 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.874 115.2 47.6 -62.1 -39.3 -23.1 13.4 -1.4 181 184 A R H X S+ 0 0 88 -4,-1.9 4,-2.3 -5,-0.3 -1,-0.2 0.921 112.7 47.3 -68.0 -43.4 -25.8 14.7 1.1 182 185 A D H X S+ 0 0 14 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.810 110.1 53.4 -70.4 -38.1 -23.7 17.7 2.2 183 186 A I H X S+ 0 0 22 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.901 109.0 49.2 -58.0 -46.1 -22.9 18.6 -1.4 184 187 A E H X S+ 0 0 133 -4,-1.9 4,-2.2 -5,-0.2 -2,-0.2 0.906 109.3 53.4 -62.9 -39.8 -26.7 18.6 -2.2 185 188 A Y H X S+ 0 0 57 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.944 111.4 43.8 -54.9 -52.5 -27.2 20.8 0.9 186 189 A M H X S+ 0 0 1 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.861 110.0 56.2 -70.0 -28.3 -24.6 23.3 -0.4 187 190 A A H X S+ 0 0 34 -4,-2.6 4,-1.0 2,-0.2 -1,-0.2 0.915 108.2 49.2 -64.4 -43.1 -26.1 23.2 -3.9 188 191 A G H >X S+ 0 0 41 -4,-2.2 4,-0.7 1,-0.2 3,-0.6 0.902 106.5 55.7 -57.7 -41.4 -29.4 24.1 -2.3 189 192 A I H >< S+ 0 0 7 -4,-2.1 3,-1.1 1,-0.2 6,-0.2 0.898 103.2 54.1 -60.5 -40.6 -27.7 27.0 -0.5 190 193 A L H 3< S+ 0 0 6 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.732 112.5 45.1 -65.1 -25.5 -26.4 28.4 -3.8 191 194 A E H << S+ 0 0 112 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.2 0.471 91.1 102.6 -94.6 -2.9 -30.1 28.4 -5.1 192 195 A N X< - 0 0 54 -3,-1.1 3,-1.8 -4,-0.7 12,-0.1 -0.720 59.9-155.7 -91.8 116.2 -31.5 29.9 -1.9 193 196 A P T 3 S+ 0 0 110 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.705 88.6 65.5 -67.4 -20.7 -32.3 33.6 -2.2 194 197 A N T 3 S+ 0 0 134 1,-0.1 2,-1.0 2,-0.1 3,-0.2 0.464 80.8 88.1 -73.3 -5.2 -32.0 34.2 1.5 195 198 A I < + 0 0 11 -3,-1.8 -1,-0.1 -6,-0.2 9,-0.1 -0.796 42.4 133.2-103.5 99.8 -28.4 33.5 1.5 196 199 A T + 0 0 79 -2,-1.0 2,-0.2 -48,-0.1 -1,-0.2 0.344 51.0 70.2-125.8 0.4 -26.7 36.7 0.7 197 200 A T S > S+ 0 0 85 -49,-0.4 4,-1.8 -3,-0.2 3,-0.2 -0.716 81.1 11.3-118.5 169.6 -23.8 36.9 3.3 198 201 A G H > S- 0 0 30 -2,-0.2 4,-2.3 1,-0.2 -51,-0.3 -0.018 109.9 -36.2 66.9-167.1 -20.5 35.2 3.9 199 202 A L H > S+ 0 0 1 -53,-3.0 4,-2.9 -101,-0.2 5,-0.2 0.894 139.7 47.1 -60.0 -45.9 -18.7 32.9 1.7 200 203 A M H > S+ 0 0 0 -53,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.883 110.2 53.7 -70.0 -34.3 -21.8 31.2 0.3 201 204 A G H X S+ 0 0 1 -4,-1.8 4,-1.5 -54,-0.5 -1,-0.2 0.928 112.8 44.7 -59.5 -44.6 -23.5 34.5 -0.4 202 205 A E H X S+ 0 0 60 -4,-2.3 4,-3.0 1,-0.2 3,-0.2 0.946 113.6 48.4 -68.8 -46.8 -20.5 35.6 -2.3 203 206 A L H X S+ 0 0 1 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.862 108.7 55.9 -55.9 -36.0 -20.1 32.3 -4.3 204 207 A S H X S+ 0 0 23 -4,-2.2 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