==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 11-JAN-13 4IQ9 . COMPND 2 MOLECULE: CYTOCHROME P450 121; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR M.FONVIELLE,M.H.LEDU,O.LEQUIN,A.LECOQ,M.JACQUET,R.THAI,S.DUB . 394 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17802.0 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 . 51 12.9 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 2 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 3 A A 0 0 159 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 147.6 -13.4 -9.9 -13.8 2 4 A T - 0 0 142 3,-0.0 2,-0.1 0, 0.0 3,-0.1 -0.897 360.0-113.9-125.4 153.1 -11.1 -6.8 -13.8 3 5 A V - 0 0 112 -2,-0.3 3,-0.1 1,-0.1 30,-0.0 -0.436 50.4 -78.3 -79.7 160.5 -8.8 -5.2 -11.2 4 6 A L - 0 0 52 1,-0.1 29,-0.2 -2,-0.1 -1,-0.1 -0.294 65.5 -82.9 -56.7 139.0 -9.6 -1.8 -9.6 5 7 A L - 0 0 59 26,-0.3 28,-2.4 27,-0.1 2,-0.3 -0.181 51.7-140.3 -48.2 128.5 -8.7 1.1 -12.0 6 8 A E B -a 33 0A 114 26,-0.2 28,-0.2 -3,-0.1 -1,-0.1 -0.690 16.7-107.9 -99.3 145.2 -5.0 1.9 -11.7 7 9 A V S S+ 0 0 15 26,-2.3 28,-0.2 -2,-0.3 2,-0.1 -0.918 85.4 43.8-116.6 150.6 -3.3 5.3 -11.6 8 10 A P - 0 0 59 0, 0.0 3,-0.1 0, 0.0 272,-0.1 0.574 65.3-158.5 -78.0 164.5 -1.5 7.0 -13.4 9 11 A F - 0 0 55 1,-0.3 2,-0.3 -2,-0.1 -3,-0.1 0.877 67.9 -11.2 -76.1 -43.5 -3.4 6.6 -16.7 10 12 A S - 0 0 39 269,-0.2 -1,-0.3 2,-0.1 370,-0.0 -0.945 44.9-142.7-159.2 141.4 -0.6 7.5 -19.2 11 13 A A + 0 0 28 -2,-0.3 2,-0.2 -3,-0.1 375,-0.1 0.490 69.0 116.0 -81.0 -6.0 2.9 9.0 -19.0 12 14 A R - 0 0 49 1,-0.1 3,-0.2 366,-0.1 -2,-0.1 -0.489 44.6-171.9 -68.5 130.5 2.2 10.8 -22.4 13 15 A G S S+ 0 0 8 -2,-0.2 263,-0.4 1,-0.1 -1,-0.1 0.216 73.0 72.0-104.6 13.1 2.2 14.6 -21.9 14 16 A D S S+ 0 0 43 1,-0.2 2,-0.3 261,-0.1 -1,-0.1 0.358 103.4 27.8-106.5 -2.3 1.0 15.5 -25.5 15 17 A R S S- 0 0 144 -3,-0.2 -1,-0.2 261,-0.1 -3,-0.0 -0.972 72.1-126.1-156.8 145.7 -2.6 14.3 -25.1 16 18 A I - 0 0 47 -2,-0.3 -3,-0.1 -3,-0.1 2,-0.0 -0.822 37.8-113.4 -92.3 133.4 -5.2 13.9 -22.3 17 19 A P >> - 0 0 37 0, 0.0 3,-1.5 0, 0.0 4,-0.6 -0.375 15.4-126.6 -65.5 144.2 -6.7 10.4 -22.1 18 20 A D H 3> S+ 0 0 133 1,-0.3 4,-1.6 2,-0.2 3,-0.4 0.781 105.7 73.9 -57.6 -28.4 -10.5 10.1 -22.9 19 21 A A H 3> S+ 0 0 29 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.767 85.6 63.6 -56.1 -33.6 -10.8 8.4 -19.5 20 22 A V H <> S+ 0 0 1 -3,-1.5 4,-2.6 2,-0.2 -1,-0.2 0.961 106.0 41.6 -60.3 -51.1 -10.4 11.7 -17.6 21 23 A A H X S+ 0 0 47 -4,-0.6 4,-2.2 -3,-0.4 -1,-0.2 0.852 113.8 54.7 -64.3 -33.9 -13.6 13.2 -19.1 22 24 A E H X S+ 0 0 102 -4,-1.6 4,-2.5 2,-0.2 5,-0.3 0.936 112.1 42.4 -64.0 -47.7 -15.4 9.9 -18.6 23 25 A L H X S+ 0 0 14 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.896 113.2 53.4 -64.9 -42.6 -14.5 9.8 -14.8 24 26 A R H < S+ 0 0 22 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.918 115.0 40.1 -62.1 -42.3 -15.2 13.5 -14.4 25 27 A T H < S+ 0 0 121 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.921 129.2 27.9 -68.6 -48.1 -18.8 13.1 -15.9 26 28 A R H < S+ 0 0 191 -4,-2.5 -3,-0.2 1,-0.2 -2,-0.2 0.795 139.1 4.5 -87.7 -38.6 -19.7 9.8 -14.3 27 29 A E < + 0 0 80 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 -0.529 57.5 179.6-153.8 76.6 -17.7 9.6 -11.0 28 30 A P S S+ 0 0 35 0, 0.0 16,-2.6 0, 0.0 17,-0.6 0.589 85.6 38.6 -65.7 -9.1 -15.7 12.8 -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 84.1 149.3-133.3 117.5 -14.5 11.2 -7.0 30 32 A R E - B 0 42A 46 12,-1.8 12,-3.2 -2,-0.4 2,-0.2 -0.986 46.5 -95.0-149.5 158.3 -13.8 7.5 -7.3 31 33 A K E + B 0 41A 43 -2,-0.3 -26,-0.3 10,-0.2 2,-0.3 -0.517 43.3 168.8 -78.6 139.7 -11.5 4.7 -5.9 32 34 A V E - B 0 40A 0 8,-2.6 8,-2.2 -2,-0.2 2,-0.4 -0.886 31.7-119.3-138.5 167.6 -8.3 3.8 -7.7 33 35 A R E -aB 6 39A 90 -28,-2.4 -26,-2.3 -2,-0.3 6,-0.2 -0.953 26.3-146.1-113.1 132.8 -5.2 1.8 -6.9 34 36 A T > - 0 0 6 4,-2.9 3,-2.0 -2,-0.4 38,-0.1 -0.354 34.8 -93.9 -88.4 173.6 -1.7 3.5 -6.8 35 37 A I T 3 S+ 0 0 60 36,-0.6 135,-0.1 1,-0.3 37,-0.1 0.700 124.4 58.5 -62.8 -18.1 1.6 2.0 -7.9 36 38 A T T 3 S- 0 0 51 34,-0.5 -1,-0.3 35,-0.4 3,-0.1 0.574 119.9-107.6 -84.0 -9.0 2.3 0.9 -4.2 37 39 A G S < S+ 0 0 37 -3,-2.0 -2,-0.1 1,-0.4 2,-0.1 0.276 77.6 133.5 96.1 -7.3 -0.9 -1.2 -4.1 38 40 A A - 0 0 18 32,-0.5 -4,-2.9 -5,-0.1 -1,-0.4 -0.399 55.4-123.2 -71.9 154.7 -2.7 1.3 -1.9 39 41 A E E +B 33 0A 89 -6,-0.2 263,-0.5 -2,-0.1 2,-0.3 -0.661 35.9 171.9 -92.8 152.5 -6.2 2.4 -2.6 40 42 A A E -B 32 0A 1 -8,-2.2 -8,-2.6 -2,-0.3 2,-0.6 -0.975 36.2-107.9-151.4 164.5 -7.0 6.2 -3.0 41 43 A W E -Bc 31 303A 33 261,-2.6 263,-3.2 -2,-0.3 2,-0.6 -0.889 29.4-152.2 -99.7 119.1 -9.8 8.6 -4.0 42 44 A L E -Bc 30 304A 3 -12,-3.2 -12,-1.8 -2,-0.6 2,-0.5 -0.830 8.0-160.4 -94.9 121.3 -9.1 10.2 -7.4 43 45 A V E +Bc 29 305A 0 261,-2.9 263,-2.6 -2,-0.6 -14,-0.2 -0.912 19.7 164.1-106.0 124.7 -10.8 13.6 -7.7 44 46 A S + 0 0 0 -16,-2.6 2,-0.3 -2,-0.5 -20,-0.1 0.349 41.2 86.5-129.6 3.7 -11.3 14.9 -11.2 45 47 A S S > S- 0 0 13 -17,-0.6 4,-2.8 1,-0.1 265,-0.3 -0.821 74.2-124.7-103.7 154.2 -13.8 17.9 -11.3 46 48 A Y H > S+ 0 0 26 263,-0.4 4,-2.5 -2,-0.3 5,-0.2 0.927 110.2 52.0 -58.2 -46.3 -12.8 21.5 -10.8 47 49 A A H > S+ 0 0 65 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.910 115.7 39.1 -59.9 -45.0 -15.4 21.9 -8.0 48 50 A L H > S+ 0 0 19 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.863 113.1 54.9 -77.3 -33.1 -14.2 18.9 -6.0 49 51 A C H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.935 111.4 45.6 -61.9 -46.9 -10.4 19.5 -6.7 50 52 A T H X S+ 0 0 17 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.902 109.7 55.3 -63.9 -39.2 -10.8 23.0 -5.3 51 53 A Q H < S+ 0 0 63 -4,-1.7 4,-0.4 -5,-0.2 -2,-0.2 0.941 111.5 43.7 -59.6 -46.2 -12.8 21.8 -2.3 52 54 A V H >< S+ 0 0 0 -4,-2.4 3,-1.4 1,-0.2 6,-0.3 0.944 114.7 48.0 -65.6 -47.3 -10.0 19.3 -1.3 53 55 A L H 3< S+ 0 0 7 -4,-2.4 287,-0.5 1,-0.3 288,-0.3 0.768 111.9 50.9 -65.7 -24.7 -7.1 21.8 -1.9 54 56 A E T 3< S+ 0 0 111 -4,-2.1 2,-0.6 -5,-0.2 -1,-0.3 0.419 96.1 78.1 -92.2 0.4 -8.9 24.5 0.2 55 57 A D X - 0 0 31 -3,-1.4 3,-2.3 -4,-0.4 -1,-0.1 -0.924 62.4-162.7-115.1 106.7 -9.6 22.2 3.2 56 58 A R T 3 S+ 0 0 166 -2,-0.6 -1,-0.1 1,-0.3 4,-0.1 0.656 83.9 79.8 -64.6 -12.2 -6.5 21.8 5.4 57 59 A R T 3 S+ 0 0 116 1,-0.2 230,-2.2 2,-0.1 2,-1.0 0.729 81.7 71.2 -68.0 -15.4 -8.1 18.7 7.0 58 60 A F E < S-D 286 0A 4 -3,-2.3 2,-0.4 -6,-0.3 228,-0.2 -0.878 93.8-157.0 -94.4 99.0 -6.9 17.0 3.7 59 61 A S E -D 285 0A 20 226,-2.7 226,-2.4 -2,-1.0 4,-0.4 -0.688 36.2-169.4 -94.5 134.0 -3.2 17.3 4.9 60 62 A M S > S+ 0 0 36 -2,-0.4 3,-1.6 224,-0.2 4,-0.4 0.930 94.1 55.2 -76.4 -47.7 -0.0 17.3 2.8 61 63 A K G > S+ 0 0 114 1,-0.3 3,-1.7 2,-0.2 21,-0.1 0.896 103.0 55.8 -50.0 -46.5 2.1 16.8 6.0 62 64 A E G > S+ 0 0 74 1,-0.3 3,-1.9 223,-0.2 -1,-0.3 0.643 85.1 79.5 -70.1 -12.8 0.3 13.7 7.1 63 65 A T G < S+ 0 0 11 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.762 90.1 58.6 -62.7 -20.8 0.9 11.9 3.8 64 66 A A G < S+ 0 0 17 -3,-1.7 -1,-0.3 -4,-0.4 -2,-0.2 0.442 78.9 123.6 -86.3 -1.9 4.4 11.2 5.2 65 67 A A S X S- 0 0 36 -3,-1.9 3,-1.8 1,-0.1 -3,-0.0 -0.330 72.9-104.6 -61.8 139.2 2.9 9.3 8.3 66 68 A A T 3 S+ 0 0 109 1,-0.2 -1,-0.1 -2,-0.0 -2,-0.1 -0.353 105.3 20.0 -62.5 139.3 4.2 5.8 8.8 67 69 A G T 3 S+ 0 0 89 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.1 0.419 91.0 135.8 83.3 -4.0 1.6 3.2 7.8 68 70 A A < - 0 0 17 -3,-1.8 -1,-0.3 1,-0.1 2,-0.2 -0.443 68.5 -97.3 -71.5 152.5 -0.4 5.6 5.6 69 71 A P - 0 0 38 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.518 52.2-145.8 -63.0 134.4 -1.7 4.5 2.2 70 72 A R - 0 0 55 -2,-0.2 -34,-0.5 1,-0.1 -32,-0.5 -0.886 31.3-158.7-116.1 142.4 0.9 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 0.892 87.0 -26.6 -71.5 -43.8 0.8 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 -0.928 83.1 -70.8-160.5 173.2 4.6 6.5 -4.1 73 75 A A - 0 0 9 96,-2.9 96,-0.4 -2,-0.3 98,-0.1 -0.508 52.5-103.4 -78.2 147.0 7.7 6.1 -1.9 74 76 A L - 0 0 55 -2,-0.2 99,-0.4 1,-0.1 -1,-0.1 -0.428 27.5-173.6 -64.0 141.1 9.3 9.1 -0.2 75 77 A T S S+ 0 0 25 97,-0.1 -1,-0.1 2,-0.1 105,-0.1 0.280 73.9 47.6-114.1 6.2 12.5 10.3 -1.9 76 78 A V S S- 0 0 40 104,-0.0 5,-0.1 1,-0.0 101,-0.1 -0.920 106.1 -77.5-133.4 164.2 13.2 12.8 1.0 77 79 A P >> - 0 0 35 0, 0.0 3,-1.6 0, 0.0 4,-0.6 -0.290 50.6-112.2 -59.3 148.1 13.2 12.5 4.8 78 80 A P H >> S+ 0 0 67 0, 0.0 3,-1.2 0, 0.0 4,-0.5 0.837 115.8 58.4 -57.7 -32.7 9.6 12.5 6.0 79 81 A E H >4 S+ 0 0 120 1,-0.2 3,-0.9 2,-0.2 7,-0.2 0.795 95.6 65.6 -65.3 -25.2 9.9 15.9 7.8 80 82 A V H X4 S+ 0 0 10 -3,-1.6 3,-1.9 1,-0.2 -1,-0.2 0.708 83.4 73.2 -72.2 -17.4 10.9 17.4 4.4 81 83 A V H << S+ 0 0 35 -3,-1.2 3,-0.4 -4,-0.6 -1,-0.2 0.931 99.7 48.0 -61.5 -35.9 7.4 16.7 3.0 82 84 A N T S+ 0 0 17 -3,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.862 70.1 45.7 -48.7 -50.8 9.2 21.8 4.0 84 86 A M H > S+ 0 0 43 -3,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.899 112.2 51.6 -63.9 -39.7 7.1 25.0 3.5 85 87 A G H > S+ 0 0 17 -3,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.886 110.7 49.0 -59.1 -42.8 5.5 24.6 6.9 86 88 A N H X S+ 0 0 47 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.909 110.9 49.8 -65.2 -43.0 9.0 24.2 8.4 87 89 A I H <>S+ 0 0 0 -4,-2.5 5,-2.4 -5,-0.2 6,-0.4 0.941 112.6 47.5 -59.3 -46.7 10.2 27.4 6.6 88 90 A A H ><5S+ 0 0 44 -4,-2.6 3,-1.7 1,-0.2 5,-0.2 0.924 110.4 51.4 -62.9 -42.8 7.1 29.3 7.8 89 91 A D H 3<5S+ 0 0 139 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.777 106.5 55.4 -64.3 -29.0 7.6 28.1 11.5 90 92 A A T 3<5S- 0 0 21 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.441 117.3-115.2 -82.2 -3.1 11.3 29.2 11.3 91 93 A G T < 5S+ 0 0 46 -3,-1.7 4,-0.2 -4,-0.2 -3,-0.2 0.684 86.1 115.7 74.1 24.7 10.1 32.8 10.3 92 94 A L >< + 0 0 0 -5,-2.4 4,-2.5 -6,-0.2 -4,-0.2 0.437 36.1 97.6-104.5 -2.1 11.7 32.4 6.9 93 95 A R H > S+ 0 0 142 -6,-0.4 4,-2.5 -5,-0.2 5,-0.2 0.918 85.6 46.2 -57.3 -49.4 8.7 32.6 4.5 94 96 A K H > S+ 0 0 188 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.906 114.3 48.7 -60.4 -43.0 8.9 36.3 3.6 95 97 A A H > S+ 0 0 22 -4,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.910 110.9 49.8 -65.8 -40.6 12.7 36.1 3.0 96 98 A V H X S+ 0 0 1 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.941 112.2 48.1 -63.2 -46.0 12.4 33.0 0.8 97 99 A M H < S+ 0 0 53 -4,-2.5 3,-0.4 1,-0.2 4,-0.4 0.892 109.9 51.6 -60.4 -43.5 9.6 34.7 -1.3 98 100 A K H >< S+ 0 0 171 -4,-2.3 3,-0.7 1,-0.2 -1,-0.2 0.866 109.7 51.4 -62.1 -35.0 11.6 37.9 -1.7 99 101 A A H 3< S+ 0 0 23 -4,-1.8 -1,-0.2 1,-0.2 101,-0.2 0.783 110.8 46.3 -74.8 -26.0 14.6 35.9 -2.9 100 102 A I T 3< S+ 0 0 11 -4,-1.3 248,-0.2 -3,-0.4 -1,-0.2 0.269 81.5 117.6-102.1 10.6 12.6 33.9 -5.6 101 103 A T X - 0 0 54 -3,-0.7 3,-1.3 -4,-0.4 244,-0.0 -0.555 64.5-137.4 -77.2 141.1 10.7 36.7 -7.3 102 104 A P T 3 S+ 0 0 8 0, 0.0 6,-0.4 0, 0.0 -1,-0.1 0.588 95.2 79.8 -72.7 -5.7 11.5 37.3 -11.0 103 105 A K T 3 + 0 0 166 4,-0.1 3,-0.1 5,-0.1 -3,-0.0 0.450 61.3 123.7 -79.1 -3.9 11.4 41.1 -10.2 104 106 A A S X> S- 0 0 40 -3,-1.3 3,-2.0 1,-0.1 4,-0.5 -0.284 79.5 -86.0 -57.7 138.7 15.0 41.1 -8.7 105 107 A P T 34 S+ 0 0 136 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.272 109.9 1.2 -54.7 128.8 17.3 43.6 -10.5 106 108 A G T 3> S+ 0 0 50 -3,-0.1 4,-2.2 1,-0.1 5,-0.1 0.330 98.9 111.6 77.5 -4.2 18.9 42.1 -13.7 107 109 A L H <> S+ 0 0 9 -3,-2.0 4,-2.4 2,-0.2 5,-0.1 0.943 78.7 44.6 -67.4 -47.5 17.1 38.7 -13.3 108 110 A E H X S+ 0 0 38 -4,-0.5 4,-2.5 -6,-0.4 -1,-0.2 0.912 114.5 50.6 -63.3 -38.9 14.9 39.0 -16.3 109 111 A Q H > S+ 0 0 96 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.901 109.2 51.5 -64.5 -38.7 17.8 40.3 -18.4 110 112 A F H X S+ 0 0 43 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.915 109.8 49.8 -62.1 -44.8 19.9 37.3 -17.2 111 113 A L H X S+ 0 0 1 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.923 113.4 46.1 -59.3 -46.8 17.0 35.0 -18.3 112 114 A R H X S+ 0 0 70 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.925 113.9 47.1 -62.6 -48.0 16.9 36.7 -21.8 113 115 A D H X S+ 0 0 81 -4,-2.9 4,-2.2 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147 A C H X>S+ 0 0 0 -4,-2.2 5,-1.9 2,-0.2 4,-1.5 0.931 113.3 45.5 -66.3 -42.6 21.9 29.0 -9.8 146 148 A K H <5S+ 0 0 99 -4,-2.2 3,-0.3 2,-0.2 -2,-0.2 0.941 113.6 48.1 -63.7 -46.9 21.4 32.7 -10.2 147 149 A V H <5S+ 0 0 8 -4,-2.9 53,-2.7 1,-0.2 -2,-0.2 0.894 116.5 44.3 -61.5 -40.6 18.3 32.8 -7.9 148 150 A L H <5S- 0 0 1 -4,-2.5 53,-2.3 51,-0.3 54,-0.5 0.708 107.8-125.1 -75.8 -22.7 20.2 30.8 -5.3 149 151 A G T <5 + 0 0 12 -4,-1.5 49,-0.3 -3,-0.3 -3,-0.2 0.670 65.2 133.2 82.9 21.4 23.4 32.8 -5.6 150 152 A I < - 0 0 9 -5,-1.9 -1,-0.3 -6,-0.2 -2,-0.1 -0.668 66.2 -79.7-104.5 158.9 25.5 29.7 -6.3 151 153 A P > - 0 0 48 0, 0.0 3,-1.6 0, 0.0 4,-0.4 -0.263 29.5-134.2 -60.6 138.4 28.1 29.2 -9.0 152 154 A Q G > S+ 0 0 84 1,-0.3 3,-1.5 2,-0.2 -7,-0.1 0.860 105.9 63.2 -55.2 -37.0 26.8 28.4 -12.5 153 155 A E G 3 S+ 0 0 166 1,-0.3 4,-0.3 2,-0.2 -1,-0.3 0.689 97.0 58.0 -65.9 -15.5 29.4 25.7 -12.8 154 156 A D G <> S+ 0 0 27 -3,-1.6 4,-1.6 1,-0.2 -1,-0.3 0.585 86.5 82.4 -88.0 -12.5 27.8 23.8 -9.9 155 157 A G H <> S+ 0 0 0 -3,-1.5 4,-2.9 -4,-0.4 5,-0.2 0.920 82.7 54.9 -60.2 -52.0 24.4 23.6 -11.7 156 158 A P H > S+ 0 0 60 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.883 109.5 46.4 -54.3 -42.9 25.0 20.5 -13.9 157 159 A K H > S+ 0 0 76 -4,-0.3 4,-0.5 2,-0.2 3,-0.2 0.935 114.0 47.4 -65.8 -44.9 26.0 18.2 -11.0 158 160 A L H >< S+ 0 0 4 -4,-1.6 3,-1.3 1,-0.2 4,-0.3 0.915 111.2 54.7 -60.7 -39.4 23.0 19.3 -8.8 159 161 A F H >< S+ 0 0 49 -4,-2.9 3,-2.0 1,-0.2 4,-0.4 0.849 95.8 65.0 -59.7 -40.3 20.8 18.8 -11.9 160 162 A R H 3< S+ 0 0 172 -4,-1.7 3,-0.3 1,-0.3 -1,-0.2 0.662 91.6 64.4 -64.4 -13.3 21.9 15.2 -12.4 161 163 A S T XX S+ 0 0 2 -3,-1.3 4,-2.7 -4,-0.5 3,-1.3 0.715 87.9 76.7 -73.7 -20.0 20.3 14.2 -9.0 162 164 A L H <> S+ 0 0 7 -3,-2.0 4,-1.9 -4,-0.3 -1,-0.2 0.790 77.2 63.5 -69.5 -31.6 16.9 15.1 -10.5 163 165 A S H 34 S+ 0 0 52 -4,-0.4 -1,-0.3 -3,-0.3 -2,-0.1 0.657 120.7 28.6 -67.0 -13.5 16.1 12.1 -12.8 164 166 A I H X4 S+ 0 0 40 -3,-1.3 3,-1.9 -4,-0.2 -2,-0.2 0.721 114.1 60.0-109.4 -42.1 16.1 10.0 -9.5 165 167 A A H 3< S+ 0 0 27 -4,-2.7 -3,-0.2 1,-0.3 -2,-0.2 0.830 109.8 44.5 -59.9 -34.6 15.0 12.6 -6.9 166 168 A F T 3< S+ 0 0 33 -4,-1.9 217,-3.1 -5,-0.2 -1,-0.3 0.165 84.1 131.4-101.1 22.3 11.7 13.2 -8.7 167 169 A M B < -H 382 0C 64 -3,-1.9 2,-0.6 215,-0.2 215,-0.3 -0.325 53.1-143.2 -66.3 153.6 10.9 9.5 -9.4 168 170 A S + 0 0 3 213,-2.5 2,-0.3 212,-0.1 -94,-0.1 -0.871 39.8 170.1-119.0 85.2 7.4 8.3 -8.6 169 171 A S - 0 0 27 -2,-0.6 -96,-2.9 -96,-0.4 -133,-0.1 -0.713 46.7-138.2-106.8 150.8 8.3 4.8 -7.3 170 172 A A S S+ 0 0 37 -2,-0.3 -1,-0.1 -98,-0.2 -100,-0.1 0.771 93.2 35.5 -73.4 -25.8 6.5 2.0 -5.6 171 173 A D S S- 0 0 109 -98,-0.1 -98,-0.2 1,-0.1 -2,-0.1 -0.871 99.8 -79.9-129.4 157.3 9.5 1.4 -3.4 172 174 A P - 0 0 104 0, 0.0 -97,-0.1 0, 0.0 -1,-0.1 -0.189 42.8-134.0 -53.9 150.8 12.3 3.4 -1.7 173 175 A I >> - 0 0 28 -99,-0.4 4,-1.1 1,-0.2 3,-1.1 -0.910 9.5-159.6-116.3 108.0 15.2 4.4 -4.0 174 176 A P H >> S+ 0 0 107 0, 0.0 4,-1.8 0, 0.0 3,-0.6 0.908 93.3 54.7 -56.9 -41.5 18.8 3.9 -2.7 175 177 A A H 3> S+ 0 0 33 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.807 99.1 63.1 -61.3 -29.3 20.3 6.4 -5.1 176 178 A A H <> S+ 0 0 5 -3,-1.1 4,-2.4 1,-0.2 -1,-0.2 0.903 105.3 45.3 -64.4 -37.6 17.9 9.1 -3.9 177 179 A K H < S+ 0 0 5 -4,-2.0 3,-1.1 1,-0.2 6,-0.3 0.917 103.8 54.4 -61.1 -41.2 27.6 27.0 0.6 191 193 A L H 3< S+ 0 0 6 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.795 113.4 42.8 -62.6 -28.7 26.2 28.4 3.9 192 194 A E H 3< S+ 0 0 117 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.446 91.1 104.3 -94.6 -3.8 29.8 28.4 5.3 193 195 A N X< - 0 0 49 -3,-1.1 3,-1.8 -4,-0.6 12,-0.0 -0.718 60.4-154.4 -84.2 117.4 31.3 29.8 2.0 194 196 A P T 3 S+ 0 0 112 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.683 90.9 65.2 -66.8 -18.0 32.2 33.5 2.4 195 197 A N T 3 S+ 0 0 133 1,-0.1 2,-1.1 2,-0.0 3,-0.2 0.589 81.0 88.8 -76.2 -13.9 31.9 34.1 -1.3 196 198 A I < + 0 0 12 -3,-1.8 -1,-0.1 -6,-0.3 9,-0.1 -0.743 42.6 130.2 -94.3 96.7 28.1 33.3 -1.2 197 199 A T + 0 0 81 -2,-1.1 2,-0.3 -48,-0.2 -1,-0.2 0.317 52.2 67.5-128.5 2.4 26.5 36.7 -0.5 198 200 A T S > S+ 0 0 88 -49,-0.3 4,-1.9 -3,-0.2 3,-0.1 -0.769 83.0 12.5-121.9 170.7 23.7 37.0 -3.1 199 201 A G H > S- 0 0 31 -2,-0.3 4,-2.2 2,-0.2 -51,-0.3 -0.024 110.7 -36.4 63.5-164.5 20.4 35.3 -3.9 200 202 A L H > S+ 0 0 1 -53,-2.7 4,-2.8 -101,-0.2 5,-0.2 0.910 140.2 47.0 -60.5 -47.1 18.5 32.8 -1.7 201 203 A M H > S+ 0 0 0 -53,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.861 110.2 52.6 -68.4 -33.3 21.6 31.2 -0.2 202 204 A G H X S+ 0 0 1 -4,-1.9 4,-1.6 -54,-0.5 -1,-0.2 0.919 112.8 45.9 -65.1 -39.1 23.4 34.5 0.5 203 205 A E H X S+ 0 0 56 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.932 113.0 48.0 -69.8 -42.8 20.2 35.7 2.4 204 206 A L H X S+ 0 0 1 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.878 108.6 56.6 -65.0 -34.2 19.9 32.4 4.3 205 207 A S H X S+ 0 0 23 -4,-2.2 4,-0.6 2,-0.2 -1,-0.2 0.879 111.2 42.9 -63.6 -39.0 23.7 32.6 5.2 206 208 A R H >< S+ 0 0 119 -4,-1.6 3,-1.1 2,-0.2 4,-0.4 0.930 113.1 50.4 -73.1 -42.9 23.2 36.0 6.7 207 209 A L H >< S+ 0 0 13 -4,-2.7 3,-1.7 1,-0.3 6,-0.3 0.897 102.3 63.8 -62.8 -32.6 19.9 35.1 8.6 208 210 A R H 3< 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