==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 20-OCT-11 3UA1 . COMPND 2 MOLECULE: CYTOCHROME P450 3A4; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR I.F.SEVRIOUKOVA,T.L.POULOS . 456 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20405.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 314 68.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 6.8 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 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 24 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 179 39.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.3 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 3 1 2 0 0 1 0 2 1 1 0 0 2 0 0 0 0 0 0 0 0 1 0 0 1 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 3 1 1 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 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 28 A H 0 0 110 0, 0.0 4,-0.1 0, 0.0 353,-0.0 0.000 360.0 360.0 360.0 131.1 25.1 -5.3 -12.9 2 29 A S > - 0 0 96 1,-0.1 3,-1.3 2,-0.1 49,-0.0 0.135 360.0-115.1 -34.9 150.0 26.9 -7.5 -15.5 3 30 A H T 3 S+ 0 0 34 1,-0.2 4,-0.3 2,-0.1 -1,-0.1 0.410 106.8 72.1 -74.7 2.8 27.7 -6.2 -19.0 4 31 A G T 3> + 0 0 39 1,-0.1 4,-2.1 2,-0.1 -1,-0.2 0.396 67.3 95.8 -97.2 2.6 25.4 -8.9 -20.5 5 32 A L H <> S+ 0 0 28 -3,-1.3 4,-1.9 1,-0.2 5,-0.2 0.955 85.2 43.2 -60.2 -54.7 22.0 -7.4 -19.4 6 33 A F H 4>S+ 0 0 7 2,-0.2 5,-3.3 1,-0.2 4,-0.3 0.890 114.7 48.3 -69.4 -39.4 21.1 -5.6 -22.6 7 34 A K H >45S+ 0 0 123 -4,-0.3 3,-2.2 3,-0.2 -1,-0.2 0.964 110.3 55.1 -56.8 -49.3 22.1 -8.4 -25.0 8 35 A K H 3<5S+ 0 0 167 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.844 112.2 41.8 -50.5 -40.8 20.2 -10.8 -22.8 9 36 A L T 3<5S- 0 0 52 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.352 115.9-114.5 -88.1 5.3 17.0 -8.6 -23.2 10 37 A G T < 5 + 0 0 65 -3,-2.2 -3,-0.2 -4,-0.3 -2,-0.1 0.824 66.9 145.8 63.5 31.8 17.6 -8.1 -26.9 11 38 A I < - 0 0 18 -5,-3.3 -1,-0.2 -6,-0.2 -2,-0.1 -0.890 43.5-130.7-103.3 130.7 18.2 -4.3 -26.4 12 39 A P + 0 0 58 0, 0.0 34,-2.2 0, 0.0 29,-0.1 -0.292 41.6 129.3 -76.5 163.9 20.8 -2.7 -28.7 13 40 A G - 0 0 19 32,-0.2 34,-0.1 27,-0.1 2,-0.1 -0.893 60.3 -54.9 166.4 169.3 23.7 -0.4 -27.7 14 41 A P - 0 0 16 0, 0.0 34,-0.2 0, 0.0 11,-0.0 -0.430 65.4-107.0 -64.5 135.7 27.4 0.3 -27.8 15 42 A T - 0 0 110 -2,-0.1 2,-0.1 1,-0.1 32,-0.0 -0.479 38.7-132.3 -68.9 130.7 29.3 -2.8 -26.8 16 43 A P - 0 0 19 0, 0.0 6,-0.2 0, 0.0 -1,-0.1 -0.471 8.6-128.6 -85.0 157.4 30.8 -2.2 -23.3 17 44 A L B > -A 21 0A 86 4,-2.4 4,-2.7 31,-0.1 6,-0.1 -0.770 39.1 -86.3 -95.8 149.6 34.4 -2.9 -22.1 18 45 A P T 4 S- 0 0 95 0, 0.0 2,-2.9 0, 0.0 -1,-0.1 -0.222 109.3 -6.1 -44.4 138.9 35.4 -5.0 -19.0 19 46 A F T 4 S+ 0 0 159 1,-0.2 -2,-0.0 -3,-0.1 0, 0.0 -0.251 134.5 58.5 66.3 -60.1 35.4 -2.6 -15.9 20 47 A L T >4 S- 0 0 48 -2,-2.9 30,-1.5 1,-0.2 3,-1.4 0.789 76.1-171.7 -71.0 -27.9 34.8 0.6 -17.8 21 48 A G B 3< -AB 17 49A 2 -4,-2.7 -4,-2.4 1,-0.2 3,-0.2 -0.591 69.8 -30.8 64.7-127.7 31.5 -0.3 -19.5 22 49 A N T > S+ 0 0 5 26,-3.3 3,-2.3 -2,-0.3 -1,-0.2 0.166 100.1 116.9-106.4 19.5 30.9 2.6 -22.0 23 50 A I G X + 0 0 16 -3,-1.4 3,-1.8 1,-0.3 -1,-0.2 0.775 67.4 66.8 -66.3 -23.7 32.5 5.5 -20.2 24 51 A L G > S+ 0 0 102 1,-0.3 3,-0.9 -3,-0.2 -1,-0.3 0.633 87.2 70.4 -70.1 -9.4 35.1 6.0 -23.0 25 52 A S G < S+ 0 0 45 -3,-2.3 3,-0.4 1,-0.2 -1,-0.3 0.513 82.4 75.9 -84.5 2.9 32.3 7.0 -25.3 26 53 A Y G X + 0 0 11 -3,-1.8 3,-2.6 1,-0.2 -1,-0.2 0.294 54.6 112.1 -92.2 10.7 32.0 10.2 -23.2 27 54 A H T < S+ 0 0 150 -3,-0.9 -1,-0.2 1,-0.3 -2,-0.1 0.643 87.2 39.2 -67.0 -7.1 35.0 11.8 -24.7 28 55 A K T 3> S- 0 0 88 -3,-0.4 4,-0.6 1,-0.3 -1,-0.3 0.224 123.4 -98.7-121.5 17.0 32.7 14.3 -26.4 29 56 A G H <> - 0 0 3 -3,-2.6 4,-1.7 413,-0.2 -1,-0.3 -0.090 40.8 -70.6 95.9 168.3 30.3 14.8 -23.4 30 57 A F H > S+ 0 0 19 413,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.843 124.6 56.0 -67.3 -36.7 26.9 13.4 -22.5 31 58 A C H > S+ 0 0 9 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.921 109.0 42.8 -68.1 -44.9 25.0 15.2 -25.2 32 59 A M H X S+ 0 0 54 -4,-0.6 4,-2.6 2,-0.2 5,-0.2 0.906 113.1 53.8 -68.4 -39.4 27.0 14.0 -28.2 33 60 A F H X S+ 0 0 6 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.921 111.1 47.1 -55.4 -47.1 27.0 10.5 -26.9 34 61 A D H X S+ 0 0 0 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.819 111.3 49.8 -66.7 -40.0 23.2 10.6 -26.6 35 62 A M H X S+ 0 0 52 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.919 113.5 46.7 -62.2 -47.9 22.7 12.0 -30.1 36 63 A E H X S+ 0 0 90 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.912 111.3 49.5 -65.4 -43.7 24.9 9.4 -31.6 37 64 A C H X S+ 0 0 5 -4,-2.4 4,-2.6 2,-0.2 5,-0.4 0.865 112.3 50.5 -61.8 -38.8 23.3 6.5 -29.8 38 65 A H H X S+ 0 0 33 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.937 111.2 45.9 -65.5 -49.5 19.9 7.8 -30.8 39 66 A K H < S+ 0 0 150 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.867 122.4 37.8 -62.3 -38.0 20.9 8.1 -34.6 40 67 A K H < S+ 0 0 129 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.799 126.2 29.6 -90.2 -20.6 22.5 4.6 -34.6 41 68 A Y H < S- 0 0 69 -4,-2.6 2,-0.4 1,-0.3 3,-0.3 0.668 92.1-142.1-115.5 -18.2 20.2 2.5 -32.3 42 69 A G < - 0 0 32 -4,-1.7 -1,-0.3 -5,-0.4 -2,-0.1 -0.781 59.0 -7.0 106.6-138.9 16.7 4.0 -32.6 43 70 A K S S+ 0 0 90 -2,-0.4 15,-1.3 1,-0.1 16,-0.4 0.654 127.5 20.0 -75.6 -19.9 13.9 4.5 -30.0 44 71 A V E + C 0 57A 9 -3,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.988 66.2 167.4-150.9 139.6 15.6 2.6 -27.0 45 72 A W E - C 0 56A 0 11,-1.5 11,-2.7 -2,-0.3 2,-0.3 -0.981 19.9-139.3-152.5 164.2 19.2 1.7 -26.2 46 73 A G E + C 0 55A 2 -34,-2.2 2,-0.3 -2,-0.3 9,-0.2 -0.937 22.3 161.9-130.4 146.0 21.3 0.4 -23.4 47 74 A F E - C 0 54A 0 7,-2.2 7,-3.4 -2,-0.3 2,-0.5 -0.948 30.4-114.0-153.8 173.5 24.8 1.3 -22.1 48 75 A Y E - C 0 53A 4 -2,-0.3 -26,-3.3 5,-0.2 2,-1.2 -0.948 3.8-159.6-125.7 122.5 27.0 0.9 -19.0 49 76 A D E > S-BC 21 52A 8 3,-2.5 3,-1.9 -2,-0.5 2,-0.4 -0.830 83.1 -56.7 -91.7 93.4 28.4 3.6 -16.7 50 77 A G T 3 S- 0 0 0 -30,-1.5 148,-0.2 -2,-1.2 -28,-0.1 -0.571 123.7 -16.9 64.4-119.2 31.1 1.3 -15.3 51 78 A Q T 3 S+ 0 0 79 146,-0.5 -1,-0.3 -2,-0.4 147,-0.1 0.628 117.3 103.4 -87.9 -15.2 29.1 -1.6 -14.0 52 79 A Q E < -C 49 0A 48 -3,-1.9 -3,-2.5 145,-0.2 2,-0.3 -0.542 66.1-138.0 -78.4 122.2 25.8 0.3 -13.9 53 80 A P E -C 48 0A 0 0, 0.0 303,-2.4 0, 0.0 2,-0.5 -0.577 18.6-169.7 -78.3 132.7 23.2 -0.4 -16.7 54 81 A V E -Cd 47 356A 0 -7,-3.4 -7,-2.2 -2,-0.3 2,-0.6 -0.978 6.8-159.6-123.8 128.5 21.4 2.6 -18.2 55 82 A L E -Cd 46 357A 2 301,-3.1 303,-2.9 -2,-0.5 2,-0.4 -0.905 9.0-151.3-107.6 116.6 18.5 2.3 -20.5 56 83 A A E -Cd 45 358A 0 -11,-2.7 -11,-1.5 -2,-0.6 2,-0.4 -0.684 13.6-168.1 -83.1 132.7 17.7 5.3 -22.7 57 84 A I E +C 44 0A 0 301,-2.6 -13,-0.2 -2,-0.4 -14,-0.0 -0.950 20.2 169.6-124.0 145.3 14.0 5.8 -23.7 58 85 A T + 0 0 9 -15,-1.3 -14,-0.1 -2,-0.4 -1,-0.1 0.508 44.1 108.6-130.8 -10.7 12.5 8.2 -26.4 59 86 A D > - 0 0 49 -16,-0.4 4,-2.9 1,-0.1 3,-0.5 -0.637 61.7-144.1 -76.7 118.5 8.9 7.2 -26.8 60 87 A P H > S+ 0 0 15 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.748 99.6 53.6 -57.8 -30.5 6.7 9.9 -25.2 61 88 A D H > S+ 0 0 100 2,-0.2 4,-2.1 3,-0.1 5,-0.1 0.935 113.2 43.4 -65.5 -44.1 4.1 7.5 -23.9 62 89 A M H > S+ 0 0 2 -3,-0.5 4,-2.2 2,-0.2 5,-0.2 0.908 111.7 53.6 -66.8 -47.6 6.9 5.5 -22.2 63 90 A I H X S+ 0 0 0 -4,-2.9 4,-3.0 2,-0.2 5,-0.3 0.923 108.6 50.7 -48.9 -50.6 8.5 8.7 -20.9 64 91 A K H X>S+ 0 0 68 -4,-2.0 4,-2.8 1,-0.2 5,-1.7 0.927 107.6 52.7 -58.0 -46.7 5.1 9.7 -19.4 65 92 A T H <>S+ 0 0 16 -4,-2.1 5,-2.6 3,-0.2 -1,-0.2 0.897 115.7 41.0 -55.4 -40.7 4.8 6.3 -17.7 66 93 A V H <5S+ 0 0 0 -4,-2.2 -2,-0.2 3,-0.2 -1,-0.2 0.934 124.9 33.2 -73.8 -45.7 8.3 6.7 -16.1 67 94 A L H <5S+ 0 0 0 -4,-3.0 336,-0.5 -5,-0.2 -2,-0.2 0.778 138.7 9.4 -84.3 -25.6 8.1 10.4 -15.1 68 95 A V T ><5S+ 0 0 47 -4,-2.8 3,-0.9 -5,-0.3 4,-0.3 0.774 123.2 43.5-123.0 -64.7 4.4 10.6 -14.3 69 96 A K T 3 XS+ 0 0 65 -5,-2.6 5,-2.5 -6,-0.3 4,-2.0 -0.004 84.9 115.5-122.4 28.3 4.7 5.2 -12.2 71 98 A C T <45S+ 0 0 1 -3,-0.9 -1,-0.1 3,-0.2 -2,-0.1 0.919 84.3 36.4 -59.6 -48.7 6.8 7.8 -10.3 72 99 A Y T 45S+ 0 0 129 -4,-0.3 -1,-0.2 -3,-0.1 4,-0.1 0.823 123.7 41.2 -78.3 -33.1 5.6 6.8 -6.8 73 100 A S T 45S- 0 0 52 -4,-0.1 -2,-0.2 2,-0.1 -1,-0.1 0.898 136.1 -5.2 -82.5 -42.4 5.5 3.1 -7.4 74 101 A V T <5S+ 0 0 0 -4,-2.0 267,-2.7 -8,-0.1 2,-0.3 0.701 126.3 47.2-129.3 -36.7 8.6 2.3 -9.5 75 102 A F < + 0 0 0 -5,-2.5 265,-0.1 265,-0.2 -2,-0.1 -0.428 65.3 128.2-118.7 56.5 10.6 5.3 -10.6 76 103 A T + 0 0 0 -2,-0.3 2,-0.3 263,-0.2 -1,-0.2 0.808 56.3 57.8 -80.5 -31.4 11.0 7.4 -7.5 77 104 A N - 0 0 8 262,-0.5 262,-2.6 -3,-0.2 18,-0.1 -0.703 68.4-125.0-118.7 154.6 14.7 8.1 -7.2 78 105 A R - 0 0 87 16,-0.3 260,-0.1 -2,-0.3 3,-0.1 -0.327 59.6 -70.4 -79.7 168.2 17.6 9.6 -9.1 79 106 A R - 0 0 59 1,-0.1 -1,-0.2 -2,-0.1 258,-0.0 -0.351 65.0 -88.8 -62.1 145.6 20.7 7.4 -9.6 80 107 A P - 0 0 82 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.271 52.7-146.5 -59.6 141.9 22.6 6.7 -6.5 81 108 A F - 0 0 52 1,-0.2 3,-0.2 12,-0.1 -3,-0.0 -0.961 13.6 -90.7-132.5 129.4 25.1 9.4 -6.0 82 109 A G S S- 0 0 4 -2,-0.4 2,-0.3 1,-0.1 -1,-0.2 0.679 77.3 -36.7 -11.9-174.4 28.8 9.7 -4.6 83 110 A P + 0 0 0 0, 0.0 130,-2.1 0, 0.0 131,-0.3 -0.471 66.2 161.3 -69.8 125.4 29.7 10.4 -1.1 84 111 A V > - 0 0 7 -2,-0.3 3,-2.1 128,-0.2 128,-0.1 0.532 18.5-167.7-120.6 -11.2 27.2 13.0 0.2 85 112 A G G > S- 0 0 24 1,-0.3 3,-1.7 2,-0.2 -1,-0.2 -0.263 76.9 -8.0 56.2-137.3 27.4 13.0 4.0 86 113 A F G > S+ 0 0 37 1,-0.3 3,-1.8 2,-0.1 -1,-0.3 0.637 122.0 82.9 -63.4 -13.8 24.5 14.9 5.6 87 114 A M G X + 0 0 0 -3,-2.1 3,-2.3 1,-0.3 6,-0.3 0.646 64.3 88.2 -69.8 -8.1 23.5 16.1 2.1 88 115 A K G < S+ 0 0 128 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.1 0.783 82.7 60.2 -54.1 -27.0 21.7 12.8 1.7 89 116 A S G < S+ 0 0 5 -3,-1.8 -1,-0.3 5,-0.1 -2,-0.2 0.502 76.7 113.1 -76.5 -11.2 18.8 14.8 3.3 90 117 A A S X> S- 0 0 0 -3,-2.3 4,-2.4 1,-0.1 3,-1.7 -0.473 78.2-121.6 -65.1 138.3 18.7 17.4 0.4 91 118 A I T 34 S+ 0 0 11 1,-0.3 -1,-0.1 2,-0.2 12,-0.1 0.809 109.9 53.8 -52.5 -35.8 15.5 17.0 -1.5 92 119 A S T 34 S+ 0 0 42 1,-0.2 -1,-0.3 169,-0.0 -14,-0.2 0.722 117.1 36.7 -75.0 -20.2 17.2 16.3 -4.8 93 120 A I T <4 S+ 0 0 36 -3,-1.7 -2,-0.2 -6,-0.3 -1,-0.2 0.672 95.7 105.7-101.7 -25.8 19.3 13.4 -3.3 94 121 A A < - 0 0 3 -4,-2.4 -16,-0.3 -7,-0.1 2,-0.3 -0.129 57.2-144.8 -62.8 156.3 16.7 12.0 -0.9 95 122 A E >> - 0 0 91 -7,-0.1 4,-1.4 -18,-0.1 3,-1.2 -0.838 40.6 -29.4-124.0 153.0 14.9 8.8 -1.7 96 123 A D H 3> S+ 0 0 60 -2,-0.3 4,-2.1 1,-0.3 5,-0.2 -0.094 124.3 1.2 55.1-125.6 11.5 7.0 -1.3 97 124 A E H 3> S+ 0 0 122 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.808 132.1 57.2 -69.8 -31.6 9.4 8.2 1.7 98 125 A E H <> S+ 0 0 62 -3,-1.2 4,-2.1 2,-0.2 -2,-0.2 0.958 110.4 45.2 -64.0 -46.1 12.0 10.7 2.8 99 126 A W H X S+ 0 0 4 -4,-1.4 4,-3.0 2,-0.2 5,-0.3 0.949 110.8 52.2 -55.5 -53.4 11.8 12.4 -0.6 100 127 A K H X S+ 0 0 58 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.848 111.4 49.0 -56.2 -36.9 7.9 12.3 -0.7 101 128 A R H X S+ 0 0 43 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.896 112.2 45.3 -70.3 -44.4 7.9 14.0 2.7 102 129 A L H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.866 112.4 51.3 -71.2 -35.0 10.4 16.8 1.9 103 130 A R H X S+ 0 0 36 -4,-3.0 4,-1.9 2,-0.2 -1,-0.2 0.921 110.2 50.2 -64.7 -42.0 8.6 17.6 -1.5 104 131 A S H < S+ 0 0 88 -4,-1.7 -2,-0.2 -5,-0.3 -1,-0.2 0.857 115.4 43.8 -60.2 -38.0 5.3 17.8 0.5 105 132 A L H < S+ 0 0 23 -4,-1.6 4,-0.2 1,-0.2 -2,-0.2 0.845 117.8 42.4 -76.2 -38.9 7.0 20.2 3.0 106 133 A L H >< S+ 0 0 0 -4,-2.6 3,-0.8 1,-0.2 4,-0.4 0.649 94.2 82.3 -87.2 -17.7 8.8 22.3 0.5 107 134 A S G >< S+ 0 0 55 -4,-1.9 3,-1.7 1,-0.2 -1,-0.2 0.908 87.5 52.8 -54.1 -47.9 5.9 22.6 -2.1 108 135 A P G > S+ 0 0 70 0, 0.0 3,-1.2 0, 0.0 6,-0.3 0.817 101.1 65.7 -58.5 -23.8 4.1 25.4 -0.3 109 136 A T G < S+ 0 0 4 -3,-0.8 -2,-0.2 1,-0.3 134,-0.1 0.649 101.8 46.2 -72.2 -17.6 7.4 27.3 -0.3 110 137 A F G < S+ 0 0 21 -3,-1.7 -1,-0.3 -4,-0.4 299,-0.1 0.077 80.7 135.4-116.2 15.6 7.4 27.6 -4.1 111 138 A T <> - 0 0 63 -3,-1.2 4,-1.7 1,-0.1 5,-0.1 -0.119 68.8-116.7 -48.4 160.1 3.8 28.7 -4.7 112 139 A S H > S+ 0 0 47 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.850 117.8 60.6 -65.7 -35.9 3.1 31.5 -7.2 113 140 A G H > S+ 0 0 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4,-1.0 1,-0.3 -1,-0.2 0.815 103.0 47.1 -53.6 -37.9 16.0 45.1 -6.8 125 152 A Y H X S+ 0 0 9 -4,-2.6 4,-1.5 1,-0.2 3,-0.6 0.942 113.2 51.6 -60.9 -49.0 27.0 47.2 -13.0 133 160 A L H 3< S+ 0 0 0 -4,-3.5 4,-0.3 1,-0.3 5,-0.2 0.862 102.8 60.6 -55.9 -44.9 26.4 46.5 -16.7 134 161 A R H >X S+ 0 0 68 -4,-3.2 4,-2.9 1,-0.2 3,-0.9 0.889 106.0 46.9 -46.9 -46.9 26.4 50.2 -17.5 135 162 A R H -F 453 0B 41 -2,-0.4 4,-1.8 309,-0.2 3,-0.3 -0.818 16.3-159.6 -86.5 116.8 32.0 38.0 -20.1 145 172 A L H >>S+ 0 0 1 307,-2.4 4,-3.6 -2,-0.7 5,-0.5 0.920 85.1 58.7 -68.0 -49.1 28.4 36.9 -19.5 146 173 A K H >5S+ 0 0 113 306,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.853 110.2 49.2 -50.1 -33.3 29.0 34.0 -17.0 147 174 A D H >5S+ 0 0 75 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.950 116.3 36.8 -70.9 -52.9 30.6 36.7 -14.8 148 175 A V H X5S+ 0 0 6 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.935 124.7 42.9 -68.2 -44.3 27.9 39.4 -15.0 149 176 A F H X5S+ 0 0 0 -4,-3.6 4,-2.5 -5,-0.2 -2,-0.2 0.845 110.4 57.4 -71.2 -30.2 25.2 36.7 -15.0 150 177 A G H X - 0 0 44 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4,-2.6 2,-0.2 -1,-0.2 0.962 114.4 47.9 -61.8 -53.1 30.0 35.4 -1.5 178 205 A E H < S+ 0 0 78 -4,-2.8 4,-0.2 1,-0.2 -2,-0.2 0.736 115.3 45.8 -71.0 -19.3 33.3 33.4 -1.8 179 206 A N H >< S+ 0 0 31 -4,-2.2 3,-1.9 -5,-0.3 4,-0.3 0.940 112.9 46.6 -79.2 -55.2 31.8 30.4 -0.1 180 207 A T H >< S+ 0 0 0 -4,-2.2 3,-2.6 1,-0.3 -2,-0.2 0.892 102.9 67.1 -52.8 -43.8 28.4 30.3 -2.0 181 208 A K T 3< S+ 0 0 75 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.1 0.744 90.6 64.1 -41.9 -32.5 30.5 30.7 -5.3 182 209 A K T < S+ 0 0 113 -3,-1.9 2,-1.6 -4,-0.2 -1,-0.3 0.548 76.5 91.4 -79.3 -7.4 32.0 27.2 -4.7 183 210 A L < + 0 0 3 -3,-2.6 88,-0.4 -4,-0.3 2,-0.3 -0.404 57.5 148.9 -85.7 59.7 28.6 25.5 -5.1 184 211 A L - 0 0 97 -2,-1.6 3,-0.1 1,-0.1 83,-0.1 -0.673 55.2 -88.0 -90.3 152.9 28.9 24.9 -8.8 185 212 A R - 0 0 45 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 -0.188 49.5 -99.2 -56.3 145.8 27.3 22.0 -10.5 186 213 A F - 0 0 25 -3,-0.1 2,-0.9 1,-0.1 -1,-0.1 -0.528 20.6-142.6 -72.9 129.9 29.3 18.7 -10.6 187 214 A D > - 0 0 50 -2,-0.3 3,-1.7 1,-0.1 6,-0.4 -0.869 15.1-165.9 -87.2 104.1 31.2 17.9 -13.8 188 215 A F T 3 S+ 0 0 77 -2,-0.9 9,-0.1 1,-0.3 -1,-0.1 0.505 82.3 59.5 -78.7 -1.3 30.6 14.1 -13.8 189 216 A L T 3 S+ 0 0 26 4,-0.1 -1,-0.3 5,-0.1 -160,-0.0 0.235 80.5 110.4-104.6 11.5 33.2 13.6 -16.5 190 217 A D S <> S- 0 0 50 -3,-1.7 4,-2.7 1,-0.1 5,-0.2 -0.415 87.9 -98.3 -80.6 165.8 36.0 15.1 -14.3 191 218 A P H > S+ 0 0 103 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.868 120.7 50.5 -59.5 -39.8 38.7 12.7 -13.0 192 219 A F H > S+ 0 0 80 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.932 115.0 41.6 -61.5 -49.6 37.1 12.3 -9.5 193 220 A F H > S+ 0 0 11 -6,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.843 113.9 52.3 -70.0 -36.1 33.6 11.4 -10.8 194 221 A L H X S+ 0 0 56 -4,-2.7 4,-2.1 2,-0.2 5,-0.2 0.930 110.4 49.7 -55.6 -51.5 35.0 9.2 -13.6 195 222 A S H X S+ 0 0 53 -4,-2.6 4,-2.0 -5,-0.2 -2,-0.2 0.877 110.5 49.6 -55.8 -38.8 37.0 7.3 -11.0 196 223 A I H < S+ 0 0 17 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.811 107.3 54.2 -77.2 -29.6 33.9 7.0 -8.8 197 224 A T H < S+ 0 0 40 -4,-1.8 -146,-0.5 1,-0.2 -145,-0.2 0.900 116.5 38.4 -66.4 -39.8 31.8 5.6 -11.7 198 225 A V H < S+ 0 0 29 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.736 128.7 33.9 -81.1 -24.6 34.5 2.9 -12.3 199 226 A F >< + 0 0 91 -4,-2.0 3,-2.1 -5,-0.2 4,-0.2 -0.447 68.0 147.7-124.7 57.3 35.1 2.3 -8.6 200 227 A P G > + 0 0 58 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.809 66.2 73.7 -69.4 -21.3 31.6 2.9 -7.0 201 228 A F G 3 S+ 0 0 140 1,-0.2 4,-0.3 2,-0.1 -5,-0.1 0.634 87.4 65.4 -59.8 -9.3 32.5 0.3 -4.4 202 229 A L G X> S+ 0 0 60 -3,-2.1 4,-1.8 -6,-0.2 3,-0.8 0.659 76.1 86.6 -89.7 -13.6 34.8 3.0 -2.9 203 230 A I H <> S+ 0 0 36 -3,-1.6 4,-2.6 1,-0.3 -1,-0.2 0.825 84.9 53.3 -54.1 -41.0 32.0 5.4 -1.9 204 231 A P H 3> S+ 0 0 84 0, 0.0 4,-2.1 0, 0.0 -1,-0.3 0.840 106.2 54.1 -70.5 -26.1 31.4 3.9 1.4 205 232 A I H <> S+ 0 0 94 -3,-0.8 4,-1.1 -4,-0.3 -2,-0.2 0.876 111.0 47.2 -64.1 -38.9 35.1 4.3 2.2 206 233 A L H <>S+ 0 0 25 -4,-1.8 5,-2.4 2,-0.2 3,-0.2 0.914 108.9 53.1 -70.9 -40.2 34.7 7.9 1.4 207 234 A E H ><5S+ 0 0 68 -4,-2.6 3,-1.6 1,-0.2 -2,-0.2 0.939 109.4 49.6 -58.8 -45.3 31.5 8.3 3.5 208 235 A V H 3<5S+ 0 0 115 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.788 111.1 48.9 -68.4 -24.8 33.2 6.8 6.6 209 236 A L T 3<5S- 0 0 103 -4,-1.1 -1,-0.3 -3,-0.2 -2,-0.2 0.290 113.4-120.2 -92.3 8.7 36.2 9.2 6.1 210 237 A N T < 5 + 0 0 107 -3,-1.6 2,-0.8 1,-0.2 -3,-0.2 0.775 59.5 152.4 52.9 32.6 33.8 12.2 5.8 211 238 A I < - 0 0 80 -5,-2.4 2,-0.3 -6,-0.1 -1,-0.2 -0.856 23.7-176.0 -90.3 112.8 35.1 13.0 2.3 212 239 A C - 0 0 35 -2,-0.8 4,-0.2 2,-0.2 -128,-0.2 -0.767 37.4-132.2-116.5 149.9 32.0 14.7 0.7 213 240 A V S S+ 0 0 20 -130,-2.1 -129,-0.1 -2,-0.3 -1,-0.1 0.728 100.8 71.2 -74.5 -24.5 31.5 15.9 -2.9 214 241 A F S S- 0 0 2 -131,-0.3 -2,-0.2 -130,-0.1 -127,-0.1 -0.877 109.2-108.6 -83.6 118.8 30.1 19.2 -1.4 215 242 A P >> - 0 0 47 0, 0.0 4,-1.9 0, 0.0 3,-0.8 -0.316 19.3-134.8 -60.9 129.1 33.3 20.7 -0.0 216 243 A R H 3> S+ 0 0 142 -4,-0.2 4,-2.6 1,-0.2 5,-0.2 0.799 100.9 59.0 -48.8 -40.1 33.4 20.5 3.8 217 244 A E H 3> S+ 0 0 144 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.862 108.6 44.3 -60.9 -41.7 34.6 24.1 4.1 218 245 A V H <> S+ 0 0 0 -3,-0.8 4,-2.1 2,-0.2 -2,-0.2 0.919 115.7 44.1 -71.3 -49.3 31.6 25.5 2.3 219 246 A T H X S+ 0 0 7 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.853 112.4 54.1 -69.8 -33.0 28.9 23.5 4.0 220 247 A N H X S+ 0 0 74 -4,-2.6 4,-2.3 -5,-0.2 5,-0.2 0.985 109.4 48.8 -57.1 -56.6 30.5 24.1 7.4 221 248 A F H X S+ 0 0 59 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.877 114.2 44.8 -50.6 -46.4 30.4 27.8 6.8 222 249 A L H X S+ 0 0 7 -4,-2.1 4,-3.3 2,-0.2 -1,-0.2 0.894 109.6 52.9 -69.8 -43.9 26.7 27.7 5.7 223 250 A R H X S+ 0 0 70 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.903 113.2 46.6 -54.7 -43.0 25.5 25.5 8.5 224 251 A K H X S+ 0 0 112 -4,-2.3 4,-1.7 -5,-0.2 -2,-0.2 0.912 112.9 49.2 -67.7 -43.1 27.1 27.9 11.0 225 252 A S H X S+ 0 0 6 -4,-2.2 4,-2.6 -5,-0.2 5,-0.3 0.933 110.5 49.5 -59.1 -51.5 25.7 30.9 9.2 226 253 A V H X S+ 0 0 12 -4,-3.3 4,-1.7 1,-0.2 -2,-0.2 0.901 107.7 54.4 -58.7 -44.9 22.1 29.5 9.1 227 254 A K H X S+ 0 0 104 -4,-2.0 4,-1.6 -5,-0.2 -1,-0.2 0.913 113.3 42.9 -52.1 -47.4 22.2 28.6 12.9 228 255 A R H < S+ 0 0 184 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.837 111.3 51.7 -75.1 -34.2 23.2 32.3 13.7 229 256 A M H < S+ 0 0 41 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.764 108.5 56.9 -71.9 -19.3 20.7 33.9 11.3 230 257 A K H < 0 0 20 -4,-1.7 -2,-0.2 -5,-0.3 -1,-0.2 0.924 360.0 360.0 -72.9 -48.0 18.1 31.7 13.0 231 258 A E < 0 0 124 -4,-1.6 -3,-0.1 -5,-0.1 -4,-0.0 0.222 360.0 360.0 -93.0 360.0 18.6 32.9 16.6 232 ! 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 0.0 233 262 A E 0 0 152 0, 0.0 -2,-0.1 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 125.6 15.6 37.3 17.6 234 263 A D - 0 0 132 2,-0.0 0, 0.0 0, 0.0 0, 0.0 0.251 360.0-144.7-172.4 -37.1 13.1 40.1 17.2 235 264 A T 0 0 126 1,-0.1 0, 0.0 0, 0.0 0, 0.0 0.940 360.0 360.0 48.8 77.2 10.8 39.4 14.3 236 265 A Q 0 0 227 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.711 360.0 360.0-132.3 360.0 9.7 42.6 12.4 237 ! 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 0.0 238 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