==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 12-AUG-08 2W0A . COMPND 2 MOLECULE: CYTOCHROME P450 51; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR L.M.PODUST . 424 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18859.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 297 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 9.4 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 171 40.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 6 0 0 1 0 1 0 0 2 1 1 0 0 1 1 1 0 0 0 0 0 0 1 0 0 0 1 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 3 2 1 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 1 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 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 0 147 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -19.3 -13.7 -13.2 99.7 2 4 A V - 0 0 129 1,-0.1 2,-0.2 0, 0.0 314,-0.1 -0.570 360.0-130.1 -69.5 122.0 -10.9 -15.1 97.9 3 5 A A - 0 0 85 -2,-0.4 3,-0.1 1,-0.1 -1,-0.1 -0.539 20.6-120.0 -73.4 139.8 -9.0 -12.6 95.8 4 6 A L - 0 0 20 -2,-0.2 35,-0.1 1,-0.1 -1,-0.1 -0.411 46.5 -78.3 -69.8 158.1 -8.5 -13.8 92.2 5 7 A P - 0 0 34 0, 0.0 35,-1.9 0, 0.0 2,-0.4 -0.350 52.2-152.3 -59.6 138.2 -4.9 -14.2 91.1 6 8 A R B -a 40 0A 104 33,-0.2 35,-0.2 -3,-0.1 -3,-0.0 -0.949 12.0-119.3-121.4 130.7 -3.4 -10.7 90.2 7 9 A V - 0 0 3 33,-2.7 35,-0.1 -2,-0.4 24,-0.1 -0.306 38.4 -94.9 -66.5 152.9 -0.6 -10.0 87.8 8 10 A S S S+ 0 0 51 22,-0.2 2,-0.1 33,-0.1 -1,-0.1 -0.035 87.4 23.2 -57.9 163.0 2.7 -8.4 88.9 9 11 A G + 0 0 29 1,-0.1 7,-0.1 2,-0.0 6,-0.0 -0.403 53.8 128.4 80.5-153.3 3.3 -4.7 88.7 10 12 A G + 0 0 14 5,-0.2 6,-0.2 -2,-0.1 -1,-0.1 0.871 29.4 137.6 70.9 35.4 0.5 -2.1 88.6 11 13 A H + 0 0 172 3,-0.1 5,-0.1 4,-0.1 -1,-0.1 0.356 38.8 107.0 -96.2 5.5 2.0 -0.1 91.5 12 14 A D B > S-B 15 0A 93 3,-0.8 3,-2.2 1,-0.1 5,-0.1 -0.210 93.0 -87.2 -75.6 172.4 1.2 3.2 89.7 13 15 A E T 3 S+ 0 0 165 1,-0.3 3,-0.1 3,-0.1 -1,-0.1 0.876 129.4 35.3 -51.7 -42.8 -1.6 5.6 90.8 14 16 A H T > S- 0 0 53 1,-0.3 30,-2.4 31,-0.0 3,-1.8 -0.035 109.6-123.2-105.2 32.4 -4.2 3.8 88.8 15 17 A G B < S-BC 12 43A 0 -3,-2.2 -3,-0.8 1,-0.3 3,-0.4 -0.471 83.2 -9.1 71.2-124.8 -2.9 0.3 89.2 16 18 A H T 3> S+ 0 0 2 26,-2.2 4,-2.7 -2,-0.3 -1,-0.3 0.414 109.7 99.7 -86.2 2.5 -2.1 -1.3 85.8 17 19 A L H <> S+ 0 0 1 -3,-1.8 4,-1.7 25,-0.4 -1,-0.2 0.905 79.2 52.1 -56.4 -46.0 -3.8 1.5 83.8 18 20 A E H 4 S+ 0 0 43 -3,-0.4 4,-0.4 1,-0.2 -1,-0.2 0.926 112.9 44.5 -61.0 -45.7 -0.6 3.3 83.0 19 21 A E H >> S+ 0 0 39 -4,-0.3 4,-3.6 1,-0.2 3,-1.5 0.917 109.9 55.9 -61.8 -40.7 0.9 0.1 81.6 20 22 A F H 3< S+ 0 0 4 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.808 107.1 51.6 -60.9 -29.2 -2.4 -0.7 79.8 21 23 A R T 3< S+ 0 0 84 -4,-1.7 -1,-0.3 -3,-0.2 -2,-0.2 0.526 121.6 30.8 -82.1 -11.1 -2.0 2.8 78.1 22 24 A T T <4 S+ 0 0 105 -3,-1.5 386,-0.2 -4,-0.4 -2,-0.2 0.713 138.7 4.8-118.1 -39.7 1.6 2.1 77.0 23 25 A D X + 0 0 81 -4,-3.6 4,-2.1 -5,-0.2 5,-0.2 -0.479 63.2 161.7-149.8 66.7 1.9 -1.7 76.3 24 26 A P H > S+ 0 0 5 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.845 77.3 55.2 -62.9 -32.5 -1.4 -3.4 76.7 25 27 A I H > S+ 0 0 54 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.962 108.7 46.7 -67.8 -47.2 -0.3 -6.5 74.8 26 28 A G H > S+ 0 0 23 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.886 112.7 51.7 -58.8 -39.2 2.7 -7.1 77.1 27 29 A L H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.950 111.6 45.8 -59.0 -50.7 0.5 -6.6 80.1 28 30 A M H X S+ 0 0 0 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.903 112.3 51.1 -64.8 -37.7 -2.0 -9.1 78.9 29 31 A Q H X S+ 0 0 61 -4,-2.7 4,-3.1 1,-0.2 -1,-0.2 0.894 108.1 52.7 -63.4 -39.1 0.7 -11.6 78.0 30 32 A R H X S+ 0 0 59 -4,-2.3 4,-2.7 1,-0.2 5,-0.4 0.894 103.9 56.8 -66.4 -38.1 2.2 -11.2 81.5 31 33 A V H X>S+ 0 0 1 -4,-2.2 4,-2.5 1,-0.2 5,-0.5 0.944 113.4 40.5 -52.7 -48.9 -1.2 -12.0 83.0 32 34 A R H X5S+ 0 0 42 -4,-1.6 4,-1.8 3,-0.2 -2,-0.2 0.918 114.0 52.1 -69.0 -42.1 -1.2 -15.3 81.1 33 35 A D H <5S+ 0 0 116 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.886 120.8 32.6 -64.1 -41.1 2.4 -16.1 81.6 34 36 A E H <5S+ 0 0 90 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.867 136.1 19.0 -80.4 -38.9 2.2 -15.6 85.4 35 37 A L H <5S- 0 0 50 -4,-2.5 3,-0.4 -5,-0.4 2,-0.3 0.646 89.2-143.0-113.2 -22.8 -1.4 -16.8 86.1 36 38 A G << - 0 0 25 -4,-1.8 -1,-0.3 -5,-0.5 -2,-0.1 -0.674 65.2 -6.4 92.3-142.1 -2.7 -18.9 83.2 37 39 A D S S+ 0 0 41 -2,-0.3 15,-1.9 1,-0.2 2,-0.4 0.633 131.8 36.8 -72.5 -22.1 -6.2 -19.0 81.8 38 40 A V E S+ D 0 51A 2 -3,-0.4 2,-0.3 13,-0.2 13,-0.2 -0.968 74.1 139.2-134.7 116.9 -7.8 -16.7 84.4 39 41 A G E - D 0 50A 0 11,-1.7 11,-3.0 -2,-0.4 2,-0.3 -0.981 33.7-132.3-153.3 160.5 -5.9 -13.7 85.9 40 42 A T E -aD 6 49A 0 -35,-1.9 -33,-2.7 -2,-0.3 2,-0.3 -0.819 12.9-174.4-120.7 156.5 -6.6 -10.1 86.8 41 43 A F E - D 0 48A 0 7,-1.8 7,-2.9 -2,-0.3 2,-0.6 -0.951 30.6-115.4-136.5 159.4 -5.2 -6.7 86.4 42 44 A Q E - D 0 47A 59 -2,-0.3 -26,-2.2 5,-0.2 2,-0.7 -0.850 20.7-171.7-100.6 123.0 -6.3 -3.4 87.9 43 45 A L E > -CD 15 46A 1 3,-3.5 3,-2.3 -2,-0.6 -28,-0.2 -0.862 64.5 -69.6-110.6 95.7 -7.7 -0.7 85.7 44 46 A A T 3 S- 0 0 11 -30,-2.4 -28,-0.1 -2,-0.7 -1,-0.1 -0.317 118.8 -10.8 50.4-125.5 -8.1 2.3 88.1 45 47 A G T 3 S+ 0 0 80 119,-0.1 2,-0.4 -3,-0.1 -1,-0.3 0.381 124.5 87.8 -83.1 13.1 -10.9 1.3 90.4 46 48 A K E < -D 43 0A 111 -3,-2.3 -3,-3.5 275,-0.0 2,-0.4 -0.925 66.8-141.5-121.1 136.0 -11.9 -1.7 88.3 47 49 A Q E -D 42 0A 50 -2,-0.4 275,-2.1 -5,-0.2 2,-0.6 -0.771 15.4-155.8 -88.3 131.0 -10.7 -5.2 88.3 48 50 A V E -De 41 322A 0 -7,-2.9 -7,-1.8 -2,-0.4 2,-0.9 -0.953 3.0-154.3-108.5 122.1 -10.4 -6.8 84.8 49 51 A V E -De 40 323A 0 273,-2.9 275,-2.7 -2,-0.6 2,-0.7 -0.865 15.9-156.9 -93.0 105.5 -10.6 -10.6 84.8 50 52 A L E -De 39 324A 2 -11,-3.0 -11,-1.7 -2,-0.9 2,-0.3 -0.779 7.5-164.3 -92.5 117.6 -8.6 -11.5 81.7 51 53 A L E +De 38 325A 0 273,-3.2 275,-0.5 -2,-0.7 2,-0.3 -0.743 13.6 166.9 -98.7 147.3 -9.6 -14.9 80.2 52 54 A S + 0 0 3 -15,-1.9 4,-0.4 -2,-0.3 3,-0.1 -0.985 32.0 47.6-155.0 162.7 -7.5 -16.8 77.7 53 55 A G S > S- 0 0 5 -2,-0.3 4,-2.5 3,-0.1 5,-0.3 -0.032 91.5 -68.7 86.9 163.2 -7.2 -20.2 76.2 54 56 A S H > S+ 0 0 54 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.919 126.2 46.7 -57.1 -51.3 -9.9 -22.4 74.7 55 57 A H H > S+ 0 0 103 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.944 118.1 40.1 -63.2 -47.5 -11.8 -23.4 77.8 56 58 A A H > S+ 0 0 0 -4,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.893 115.3 52.5 -68.4 -38.2 -12.1 -19.9 79.3 57 59 A N H X S+ 0 0 0 -4,-2.5 4,-3.1 1,-0.2 5,-0.3 0.883 104.3 57.1 -63.1 -38.0 -12.7 -18.3 75.9 58 60 A E H X S+ 0 0 54 -4,-2.5 4,-2.1 -5,-0.3 -1,-0.2 0.923 107.0 48.5 -59.6 -44.9 -15.5 -20.7 75.2 59 61 A F H X S+ 0 0 47 -4,-1.6 4,-1.0 -5,-0.2 -1,-0.2 0.949 113.2 48.3 -55.4 -48.6 -17.2 -19.5 78.4 60 62 A F H < S+ 0 0 0 -4,-2.0 3,-0.3 1,-0.2 -2,-0.2 0.921 116.7 40.1 -60.6 -47.9 -16.7 -15.8 77.3 61 63 A F H < S+ 0 0 0 -4,-3.1 308,-2.0 1,-0.2 309,-0.5 0.744 113.8 51.7 -82.8 -22.8 -18.0 -16.2 73.8 62 64 A R H < S+ 0 0 161 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.605 85.5 112.6 -86.9 -9.6 -20.9 -18.5 74.6 63 65 A A < - 0 0 4 -4,-1.0 2,-0.1 -3,-0.3 306,-0.0 -0.400 62.4-136.4 -65.8 131.8 -22.2 -16.2 77.3 64 66 A G >> - 0 0 30 -2,-0.2 4,-2.4 1,-0.1 3,-1.8 -0.331 32.0 -96.9 -78.3 167.8 -25.5 -14.4 76.5 65 67 A D T 34 S+ 0 0 97 1,-0.3 -1,-0.1 2,-0.2 -2,-0.1 0.706 124.3 64.7 -63.5 -17.4 -26.2 -10.8 77.2 66 68 A D T 34 S+ 0 0 136 1,-0.1 -1,-0.3 3,-0.1 3,-0.2 0.807 111.7 31.7 -70.2 -33.7 -27.7 -11.9 80.4 67 69 A D T <4 S+ 0 0 63 -3,-1.8 240,-3.1 1,-0.3 241,-0.5 0.881 130.6 25.7 -92.1 -47.7 -24.4 -13.2 81.8 68 70 A L E < S-F 306 0A 0 -4,-2.4 2,-0.6 238,-0.2 -1,-0.3 -0.976 73.1-149.1-129.1 118.4 -21.9 -10.9 80.2 69 71 A D E -F 305 0A 12 236,-3.0 236,-2.0 -2,-0.5 4,-0.3 -0.767 12.5-176.7 -95.7 115.4 -22.9 -7.3 79.2 70 72 A Q S > S+ 0 0 84 -2,-0.6 3,-1.9 234,-0.2 4,-0.2 0.971 77.9 49.8 -73.8 -58.0 -21.0 -5.9 76.3 71 73 A A G > S+ 0 0 37 1,-0.3 3,-1.5 2,-0.2 -1,-0.2 0.811 104.0 60.2 -58.5 -32.1 -22.3 -2.3 76.0 72 74 A K G 3 S+ 0 0 138 1,-0.3 -1,-0.3 233,-0.1 -2,-0.2 0.697 96.8 62.1 -67.5 -18.5 -21.8 -1.5 79.7 73 75 A A G < S+ 0 0 0 -3,-1.9 -1,-0.3 -4,-0.3 -2,-0.2 0.462 99.7 56.5 -84.7 -0.8 -18.1 -2.2 79.2 74 76 A Y X + 0 0 47 -3,-1.5 3,-2.1 -4,-0.2 4,-0.3 -0.281 54.6 142.2-126.7 48.8 -17.7 0.7 76.7 75 77 A P G > + 0 0 60 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.802 66.9 70.3 -65.6 -23.8 -19.0 3.8 78.5 76 78 A F G 3 S+ 0 0 6 1,-0.3 4,-0.2 -3,-0.2 84,-0.1 0.554 82.7 71.4 -68.9 -8.4 -16.3 5.9 76.8 77 79 A M G X> S+ 0 0 14 -3,-2.1 4,-2.6 1,-0.2 3,-0.9 0.662 77.0 84.5 -81.6 -11.3 -18.0 5.5 73.5 78 80 A T H <> S+ 0 0 53 -3,-1.6 4,-2.6 -4,-0.3 -1,-0.2 0.917 88.6 46.4 -60.3 -46.0 -20.8 7.9 74.7 79 81 A P H 34 S+ 0 0 14 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.685 114.5 51.3 -72.6 -12.1 -19.0 11.2 73.8 80 82 A I H <4 S+ 0 0 0 -3,-0.9 -2,-0.2 -4,-0.2 -3,-0.1 0.923 120.0 30.2 -86.6 -54.6 -18.1 9.7 70.4 81 83 A F H < S- 0 0 27 -4,-2.6 149,-0.2 1,-0.2 -3,-0.2 0.904 112.7-133.3 -68.2 -40.4 -21.5 8.6 69.3 82 84 A G >< - 0 0 9 -4,-2.6 3,-0.9 -5,-0.4 -1,-0.2 -0.390 30.0 -54.6 109.1 170.8 -23.2 11.4 71.3 83 85 A E T 3 S+ 0 0 101 1,-0.2 -1,-0.2 -2,-0.1 -2,-0.1 0.877 126.6 44.9 -48.1 -52.3 -26.2 11.7 73.7 84 86 A A T 3 S+ 0 0 74 -3,-0.2 2,-1.1 1,-0.1 -1,-0.2 0.419 83.4 92.7 -92.1 2.5 -28.9 10.2 71.5 85 87 A V < - 0 0 25 -3,-0.9 2,-1.4 -7,-0.2 -3,-0.1 -0.810 63.7-166.4 -87.4 96.1 -27.2 7.1 70.2 86 88 A V 0 0 101 -2,-1.1 -2,-0.1 -5,-0.1 -3,-0.1 -0.583 360.0 360.0 -92.6 79.5 -28.4 4.8 73.0 87 89 A F 0 0 102 -2,-1.4 -9,-0.0 -16,-0.1 -2,-0.0 -0.056 360.0 360.0 -87.3 360.0 -26.2 1.8 72.5 88 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 89 106 A R >> 0 0 209 0, 0.0 3,-1.6 0, 0.0 4,-0.8 0.000 360.0 360.0 360.0 146.9 -27.3 -8.6 53.1 90 107 A G H >> + 0 0 65 1,-0.3 3,-1.0 2,-0.2 4,-0.6 0.893 360.0 58.5 -56.1 -39.6 -26.1 -11.2 50.6 91 108 A E H 34 S+ 0 0 156 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.712 108.7 44.9 -64.7 -21.6 -28.2 -9.5 47.9 92 109 A Q H <> S+ 0 0 112 -3,-1.6 4,-2.2 1,-0.1 -1,-0.3 0.565 90.9 84.6 -95.3 -9.9 -26.3 -6.2 48.5 93 110 A M H S+ 0 0 40 -4,-0.3 4,-2.2 1,-0.2 -2,-0.2 0.905 109.9 51.6 -62.2 -39.4 -23.1 -4.1 44.7 96 113 A H H X S+ 0 0 18 -4,-2.2 4,-3.1 1,-0.2 -1,-0.2 0.880 106.6 53.9 -67.5 -35.6 -20.9 -3.2 47.6 97 114 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.921 110.1 47.0 -63.9 -41.0 -17.9 -5.0 45.9 98 115 A A H X S+ 0 0 37 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.878 111.8 51.7 -64.7 -39.5 -18.4 -2.9 42.8 99 116 A T H X S+ 0 0 8 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.934 110.2 49.0 -62.4 -45.2 -18.7 0.2 45.1 100 117 A I H X S+ 0 0 0 -4,-3.1 4,-2.6 1,-0.2 5,-0.2 0.927 108.6 51.6 -62.0 -45.4 -15.5 -0.7 46.8 101 118 A E H X S+ 0 0 41 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.940 111.0 50.0 -54.7 -45.8 -13.7 -1.2 43.5 102 119 A D H X S+ 0 0 86 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.912 109.8 49.8 -63.2 -39.4 -14.9 2.2 42.4 103 120 A Q H X S+ 0 0 2 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.889 111.3 48.7 -70.1 -37.0 -13.7 3.9 45.6 104 121 A V H X S+ 0 0 0 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.938 110.5 50.2 -66.7 -46.7 -10.2 2.3 45.3 105 122 A R H X S+ 0 0 81 -4,-2.7 4,-0.6 1,-0.2 -2,-0.2 0.918 111.3 50.3 -56.2 -39.5 -9.9 3.4 41.6 106 123 A R H >< S+ 0 0 120 -4,-2.3 3,-0.8 -5,-0.2 4,-0.3 0.924 108.6 52.0 -65.0 -41.3 -10.9 6.9 42.7 107 124 A M H 3< S+ 0 0 25 -4,-2.2 3,-0.3 1,-0.2 -1,-0.2 0.778 116.9 38.0 -65.6 -28.7 -8.3 6.9 45.5 108 125 A I H >< S+ 0 0 10 -4,-1.8 3,-1.9 -3,-0.2 4,-0.4 0.357 84.5 104.2-102.6 3.5 -5.4 5.9 43.2 109 126 A A T << S+ 0 0 79 -3,-0.8 3,-0.3 -4,-0.6 -1,-0.2 0.808 86.9 42.0 -56.7 -32.4 -6.6 8.0 40.2 110 127 A D T 3 S+ 0 0 142 -4,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.292 86.2 99.3-101.0 13.1 -3.8 10.6 40.8 111 128 A W < - 0 0 17 -3,-1.9 3,-0.4 1,-0.1 -1,-0.2 0.861 60.7-176.7 -66.6 -37.4 -1.1 8.1 41.6 112 129 A G - 0 0 33 -4,-0.4 -1,-0.1 -3,-0.3 3,-0.1 -0.297 52.4 -33.5 66.6-155.6 0.6 8.2 38.2 113 130 A E S S- 0 0 135 1,-0.2 312,-2.6 311,-0.1 2,-0.3 0.858 121.2 -13.0 -72.9 -35.2 3.5 6.1 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111.7 47.7 -62.3 -43.2 -19.8 19.0 57.8 188 205 A V H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.900 110.8 51.5 -67.5 -37.8 -23.1 17.1 57.9 189 206 A A H X S+ 0 0 28 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.898 108.9 49.9 -65.1 -41.3 -25.0 20.4 58.4 190 207 A D H X S+ 0 0 95 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.885 110.7 51.2 -62.7 -38.1 -23.2 21.9 55.4 191 208 A I H X S+ 0 0 12 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.946 110.2 48.5 -64.5 -45.8 -24.2 18.8 53.4 192 209 A M H X S+ 0 0 35 -4,-2.7 4,-1.3 1,-0.2 -2,-0.2 0.931 114.0 46.4 -56.3 -48.4 -27.8 19.1 54.5 193 210 A N H X S+ 0 0 95 -4,-2.6 4,-1.8 1,-0.2 3,-0.3 0.886 108.6 55.7 -62.3 -40.4 -27.8 22.8 53.5 194 211 A G H X S+ 0 0 30 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.861 106.0 52.0 -56.9 -38.3 -26.1 22.0 50.2 195 212 A R H < S+ 0 0 25 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.784 106.2 53.6 -73.4 -28.5 -28.9 19.6 49.4 196 213 A I H < S+ 0 0 124 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.914 117.5 36.6 -65.1 -45.5 -31.6 22.2 50.1 197 214 A A H < S+ 0 0 85 -4,-1.8 -2,-0.2 1,-0.2 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