==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 26-NOV-12 4I3Q . COMPND 2 MOLECULE: CYTOCHROME P450 3A4; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR I.F.SEVRIOUKOVA,T.L.POULOS . 465 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21252.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 319 68.6 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 . 32 6.9 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 . 1 0.2 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 . 30 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 178 38.3 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 3 0 2 2 2 0 0 1 0 2 1 1 1 0 1 0 0 1 0 0 0 0 0 0 0 1 0 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 . 4 1 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 3 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 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 0 144 0, 0.0 3,-0.5 0, 0.0 50,-0.1 0.000 360.0 360.0 360.0 80.6 29.9 -7.6 -14.3 2 29 A S > + 0 0 42 49,-0.3 3,-1.5 1,-0.2 4,-0.3 0.018 360.0 117.9 -85.3 29.9 26.4 -6.8 -15.6 3 30 A H T 3 + 0 0 18 1,-0.3 4,-0.2 2,-0.1 -1,-0.2 0.570 66.7 63.2 -75.9 -7.2 27.8 -6.4 -19.1 4 31 A G T 3> S+ 0 0 38 -3,-0.5 4,-1.8 1,-0.1 3,-0.5 0.635 81.8 88.4 -85.8 -14.3 25.7 -9.3 -20.2 5 32 A L H <> S+ 0 0 20 -3,-1.5 4,-1.6 1,-0.2 5,-0.2 0.900 79.9 48.0 -59.8 -55.2 22.5 -7.5 -19.4 6 33 A F H 4>S+ 0 0 9 -4,-0.3 5,-3.1 1,-0.2 4,-0.4 0.768 113.6 46.4 -69.2 -24.1 21.5 -5.6 -22.5 7 34 A K H >45S+ 0 0 144 -3,-0.5 3,-1.1 -4,-0.2 -1,-0.2 0.922 108.4 56.9 -77.2 -41.7 22.0 -8.4 -25.0 8 35 A K H 3<5S+ 0 0 164 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.768 114.5 39.6 -53.1 -32.2 20.1 -10.8 -22.7 9 36 A L T 3<5S- 0 0 55 -4,-1.6 -1,-0.3 2,-0.1 -2,-0.2 0.524 116.1-117.0 -90.6 -11.0 17.1 -8.3 -22.9 10 37 A G T < 5 + 0 0 64 -3,-1.1 -3,-0.2 -4,-0.4 -2,-0.1 0.713 63.4 147.1 78.1 24.2 17.7 -7.7 -26.6 11 38 A I < - 0 0 14 -5,-3.1 -1,-0.2 -6,-0.2 -2,-0.1 -0.808 44.5-126.1 -97.3 123.9 18.6 -3.9 -26.2 12 39 A P + 0 0 57 0, 0.0 34,-2.7 0, 0.0 29,-0.1 -0.152 44.1 131.6 -65.3 163.2 21.1 -2.4 -28.6 13 40 A G - 0 0 29 32,-0.2 34,-0.2 27,-0.1 2,-0.1 -0.895 53.3 -64.7 168.7 168.8 24.3 -0.4 -27.4 14 41 A P - 0 0 26 0, 0.0 34,-0.1 0, 0.0 8,-0.0 -0.416 60.8 -96.0 -75.5 155.2 28.0 0.2 -27.7 15 42 A T - 0 0 124 -2,-0.1 2,-0.2 32,-0.1 32,-0.0 -0.530 38.5-135.8 -75.5 118.4 30.4 -2.6 -26.6 16 43 A P - 0 0 19 0, 0.0 6,-0.2 0, 0.0 -1,-0.1 -0.486 9.5-137.2 -71.0 144.5 31.6 -2.2 -23.0 17 44 A L B > -A 21 0A 87 4,-2.3 4,-2.6 -2,-0.2 6,-0.1 -0.753 40.1 -84.6 -89.3 146.9 35.2 -2.7 -22.1 18 45 A P T 4 S- 0 0 81 0, 0.0 2,-2.8 0, 0.0 -1,-0.1 -0.217 108.8 -5.7 -46.5 135.7 36.1 -4.7 -19.0 19 46 A F T 4 S+ 0 0 155 1,-0.2 0, 0.0 -3,-0.1 0, 0.0 -0.230 130.9 63.9 72.5 -55.1 36.1 -2.5 -15.8 20 47 A L T >4 S- 0 0 54 -2,-2.8 3,-1.7 1,-0.2 30,-1.1 0.768 76.3-166.4 -78.7 -27.5 35.5 0.8 -17.8 21 48 A G B 3< -AB 17 49A 2 -4,-2.6 -4,-2.3 1,-0.3 -1,-0.2 -0.621 68.3 -35.8 77.0-133.8 32.1 0.1 -19.3 22 49 A N T > S+ 0 0 6 26,-3.8 3,-2.0 -2,-0.3 -1,-0.3 0.292 104.8 115.3-105.5 15.4 31.5 2.7 -21.9 23 50 A I G X + 0 0 18 -3,-1.7 3,-3.1 25,-0.3 -1,-0.1 0.797 62.1 69.3 -54.6 -36.7 33.3 5.6 -20.1 24 51 A L G > S+ 0 0 104 1,-0.3 3,-1.2 -3,-0.2 -1,-0.3 0.817 90.5 68.3 -52.8 -23.2 36.1 6.0 -22.6 25 52 A S G X S+ 0 0 48 -3,-2.0 3,-0.6 1,-0.3 -1,-0.3 0.469 79.2 77.7 -76.7 -1.4 33.3 7.3 -24.9 26 53 A Y G X + 0 0 15 -3,-3.1 3,-1.8 1,-0.2 -1,-0.3 0.279 59.7 103.3 -89.2 7.9 32.8 10.4 -22.7 27 54 A H G < S+ 0 0 140 -3,-1.2 -1,-0.2 1,-0.3 -2,-0.1 0.711 88.5 41.3 -60.9 -19.3 36.0 12.0 -24.3 28 55 A K G <> S- 0 0 121 -3,-0.6 4,-0.6 1,-0.2 -1,-0.3 0.167 123.6-100.3-115.5 17.6 33.5 14.2 -26.3 29 56 A G H <> - 0 0 4 -3,-1.8 4,-1.5 419,-0.3 -1,-0.2 0.180 34.6 -76.6 88.5 156.5 31.0 14.8 -23.4 30 57 A F H > S+ 0 0 22 419,-0.4 4,-2.4 1,-0.2 5,-0.2 0.879 124.4 53.9 -53.3 -44.2 27.7 13.5 -22.3 31 58 A C H > S+ 0 0 11 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.921 109.1 44.1 -67.2 -43.9 25.8 15.4 -25.0 32 59 A M H X S+ 0 0 63 -4,-0.6 4,-1.4 2,-0.2 -1,-0.2 0.771 113.1 52.0 -72.9 -27.8 27.7 14.1 -28.1 33 60 A F H X S+ 0 0 12 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.942 110.7 49.2 -70.2 -48.3 27.7 10.6 -26.8 34 61 A D H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.879 110.7 49.0 -54.8 -44.6 23.9 10.7 -26.3 35 62 A M H X S+ 0 0 46 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.867 109.7 52.8 -69.6 -32.9 23.3 12.1 -29.8 36 63 A E H X S+ 0 0 104 -4,-1.4 4,-1.1 2,-0.2 -2,-0.2 0.969 108.9 47.5 -66.7 -49.9 25.4 9.5 -31.4 37 64 A C H >X>S+ 0 0 6 -4,-2.3 4,-2.7 1,-0.2 3,-0.6 0.888 110.3 54.2 -57.9 -41.0 23.6 6.6 -29.7 38 65 A H H 3X5S+ 0 0 28 -4,-1.9 4,-1.6 1,-0.3 3,-0.4 0.968 105.9 51.2 -56.4 -56.2 20.2 8.1 -30.7 39 66 A K H 3<5S+ 0 0 144 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.711 123.6 30.6 -51.3 -25.5 21.2 8.3 -34.4 40 67 A K H <<5S+ 0 0 127 -4,-1.1 -2,-0.2 -3,-0.6 -1,-0.2 0.593 123.2 37.3-120.7 -9.0 22.3 4.6 -34.4 41 68 A Y H ><5S- 0 0 61 -4,-2.7 3,-0.6 -3,-0.4 2,-0.5 0.510 91.8-148.8-117.4 -9.5 20.2 2.6 -31.9 42 69 A G T 3<< - 0 0 36 -4,-1.6 -1,-0.3 -5,-0.5 -2,-0.1 -0.673 60.8 -0.8 86.9-123.9 16.9 4.3 -32.4 43 70 A K T 3 S+ 0 0 137 -2,-0.5 15,-1.8 1,-0.2 2,-0.3 0.677 128.2 13.8 -81.3 -21.9 14.3 4.7 -29.7 44 71 A V E < + C 0 57A 19 -3,-0.6 2,-0.3 13,-0.2 13,-0.2 -0.984 64.6 162.9-159.1 139.7 16.0 3.0 -26.8 45 72 A W E - C 0 56A 0 11,-1.5 11,-3.0 -2,-0.3 2,-0.3 -0.981 20.6-133.3-160.1 170.0 19.5 1.7 -26.0 46 73 A G E + C 0 55A 1 -34,-2.7 2,-0.3 -2,-0.3 9,-0.2 -0.856 22.4 157.1-128.3 155.7 21.8 0.6 -23.2 47 74 A F E - C 0 54A 1 7,-1.4 7,-3.3 -2,-0.3 2,-0.5 -0.955 32.7-105.1-162.0-174.8 25.3 1.2 -22.0 48 75 A Y E - C 0 53A 6 -2,-0.3 -26,-3.8 5,-0.2 2,-1.2 -0.973 3.1-158.5-132.2 123.2 27.5 1.0 -18.9 49 76 A D E > S-BC 21 52A 7 3,-3.4 3,-1.4 -2,-0.5 2,-0.9 -0.776 87.4 -53.7 -92.0 85.8 28.9 3.6 -16.6 50 77 A G T 3 S- 0 0 0 -2,-1.2 148,-0.2 -30,-1.1 -33,-0.1 -0.747 124.4 -22.1 74.7-106.9 31.6 1.3 -15.3 51 78 A Q T 3 S+ 0 0 71 -2,-0.9 -49,-0.3 146,-0.5 -1,-0.2 0.245 116.4 109.8-113.2 6.4 29.5 -1.6 -14.2 52 79 A Q E < -C 49 0A 63 -3,-1.4 -3,-3.4 145,-0.2 2,-0.4 -0.782 64.7-139.5 -87.3 117.3 26.4 0.5 -13.9 53 80 A P E -C 48 0A 13 0, 0.0 309,-2.2 0, 0.0 2,-0.5 -0.625 19.2-171.7 -80.7 127.0 23.8 -0.2 -16.6 54 81 A V E -Cd 47 362A 0 -7,-3.3 -7,-1.4 -2,-0.4 2,-0.6 -0.974 8.4-159.7-125.2 120.4 22.0 2.8 -18.1 55 82 A L E -Cd 46 363A 2 307,-1.6 309,-2.4 -2,-0.5 2,-0.3 -0.871 11.4-150.2-101.6 117.4 19.0 2.5 -20.5 56 83 A A E -Cd 45 364A 0 -11,-3.0 -11,-1.5 -2,-0.6 2,-0.4 -0.644 12.9-164.9 -85.3 140.3 18.3 5.6 -22.6 57 84 A I E +C 44 0A 0 307,-1.9 -13,-0.2 -2,-0.3 -14,-0.1 -0.969 23.6 170.8-128.2 141.4 14.7 6.3 -23.7 58 85 A T + 0 0 8 -15,-1.8 -14,-0.1 -2,-0.4 -1,-0.1 0.339 42.5 117.3-126.6 9.8 13.3 8.7 -26.3 59 86 A D > - 0 0 33 -16,-0.3 4,-3.1 1,-0.2 5,-0.4 -0.702 57.5-144.7 -88.7 117.1 9.6 7.7 -26.5 60 87 A P H > S+ 0 0 20 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.848 102.7 39.4 -40.3 -51.7 7.3 10.5 -25.5 61 88 A D H > S+ 0 0 99 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.897 116.5 50.3 -69.4 -40.9 4.8 8.1 -23.8 62 89 A M H >> S+ 0 0 18 1,-0.2 4,-1.6 2,-0.2 3,-0.5 0.975 109.2 51.4 -59.6 -57.5 7.6 5.9 -22.3 63 90 A I H 3X S+ 0 0 0 -4,-3.1 4,-2.3 1,-0.2 5,-0.2 0.792 109.4 52.6 -42.3 -39.5 9.4 9.0 -20.8 64 91 A K H 3X>S+ 0 0 66 -4,-1.2 4,-3.1 -5,-0.4 5,-1.2 0.859 102.3 54.6 -75.4 -39.0 6.1 10.0 -19.2 65 92 A T H <<>S+ 0 0 16 -4,-1.8 5,-3.7 -3,-0.5 -1,-0.2 0.879 115.4 43.4 -60.2 -36.1 5.3 6.8 -17.4 66 93 A V H <5S+ 0 0 0 -4,-1.6 -2,-0.2 3,-0.2 -1,-0.2 0.910 124.5 31.7 -73.6 -51.1 8.8 7.1 -15.8 67 94 A L H <5S+ 0 0 0 -4,-2.3 342,-0.4 -5,-0.2 -3,-0.2 0.877 138.6 13.3 -77.4 -41.2 8.7 10.8 -15.0 68 95 A V T ><5S+ 0 0 42 -4,-3.1 3,-1.5 -5,-0.2 4,-0.4 0.877 124.4 38.0-100.9 -74.8 5.0 11.1 -14.3 69 96 A K T 3 XS+ 0 0 73 -5,-3.7 5,-2.1 -6,-0.2 4,-1.2 -0.194 84.5 110.0-117.4 36.7 5.2 5.7 -12.0 71 98 A C T <45S+ 0 0 0 -3,-1.5 -1,-0.2 3,-0.2 -2,-0.1 0.939 80.0 51.3 -69.0 -47.5 7.4 8.2 -10.3 72 99 A Y T 45S+ 0 0 127 -4,-0.4 -1,-0.1 -3,-0.3 -2,-0.1 0.797 120.9 26.9 -62.6 -36.1 5.9 7.3 -6.9 73 100 A S T 45S+ 0 0 46 -4,-0.1 -1,-0.2 2,-0.1 -2,-0.1 0.837 135.0 6.6-101.0 -39.0 6.3 3.6 -7.0 74 101 A V T <5S+ 0 0 1 -4,-1.2 273,-2.5 -8,-0.1 2,-0.3 0.780 123.6 42.6-119.6 -44.9 9.3 2.6 -9.2 75 102 A F < + 0 0 1 -5,-2.1 271,-0.2 271,-0.2 -3,-0.1 -0.372 69.7 128.1-112.8 53.5 11.3 5.6 -10.5 76 103 A T + 0 0 2 269,-0.3 2,-0.2 -2,-0.3 -1,-0.2 0.774 55.5 50.9 -84.5 -32.5 11.6 7.8 -7.5 77 104 A N B -E 345 0A 7 268,-0.6 268,-2.5 -3,-0.2 2,-0.1 -0.679 66.5-127.3-117.0 163.1 15.3 8.6 -7.0 78 105 A R - 0 0 84 16,-0.3 266,-0.1 -2,-0.2 267,-0.1 -0.397 51.2 -78.4 -93.0 178.8 18.3 9.9 -9.0 79 106 A R - 0 0 48 -2,-0.1 -1,-0.1 1,-0.1 264,-0.0 -0.623 44.6-112.9 -85.1 139.1 21.5 8.0 -9.0 80 107 A P - 0 0 94 0, 0.0 -1,-0.1 0, 0.0 13,-0.0 -0.326 36.0-175.1 -61.4 151.0 23.8 8.2 -6.0 81 108 A F - 0 0 45 1,-0.5 115,-0.1 -3,-0.0 116,-0.1 0.596 43.7 -36.8-134.1 -8.9 27.0 10.0 -7.1 82 109 A G S S- 0 0 8 114,-0.1 -1,-0.5 115,-0.0 2,-0.4 -0.932 89.7 -37.8 164.5-179.8 29.8 10.3 -4.5 83 110 A P + 0 0 0 0, 0.0 130,-2.8 0, 0.0 131,-0.3 -0.586 56.0 175.1 -77.3 130.8 30.3 10.8 -0.8 84 111 A V > - 0 0 15 -2,-0.4 3,-1.5 128,-0.2 128,-0.1 0.576 10.8-168.7-121.1 -20.1 27.6 13.2 0.2 85 112 A G G > S- 0 0 27 1,-0.3 3,-1.5 2,-0.2 -1,-0.2 -0.308 70.3 -13.0 66.3-145.5 27.8 13.5 3.9 86 113 A F G > S+ 0 0 39 1,-0.3 3,-1.2 2,-0.1 -1,-0.3 0.574 124.3 79.7 -62.9 -12.8 25.1 15.3 5.8 87 114 A M G X + 0 0 0 -3,-1.5 3,-2.2 1,-0.3 -1,-0.3 0.492 63.1 96.3 -75.3 2.5 23.9 16.6 2.4 88 115 A K G < S+ 0 0 139 -3,-1.5 -1,-0.3 1,-0.3 7,-0.2 0.684 83.0 53.0 -61.3 -17.5 22.4 13.1 2.1 89 116 A S G < S+ 0 0 9 -3,-1.2 -1,-0.3 5,-0.1 2,-0.2 0.289 76.1 120.3-105.4 7.9 19.2 14.9 3.3 90 117 A A S X> S- 0 0 0 -3,-2.2 4,-2.7 1,-0.1 3,-1.7 -0.544 75.3-117.6 -67.2 143.8 19.2 17.7 0.7 91 118 A I T 34 S+ 0 0 9 1,-0.3 -1,-0.1 2,-0.2 12,-0.1 0.801 112.3 51.6 -56.2 -37.0 15.9 17.4 -1.2 92 119 A S T 34 S+ 0 0 41 1,-0.2 -1,-0.3 175,-0.0 -14,-0.2 0.587 119.0 36.9 -81.4 -10.2 17.6 16.8 -4.6 93 120 A I T <4 S+ 0 0 30 -3,-1.7 -2,-0.2 -6,-0.2 -1,-0.2 0.665 96.3 103.0-104.6 -28.7 19.7 13.9 -3.1 94 121 A A < - 0 0 3 -4,-2.7 2,-0.3 -7,-0.1 -16,-0.3 0.014 59.4-139.3 -61.2 166.9 17.2 12.5 -0.8 95 122 A E >> - 0 0 85 -7,-0.2 4,-1.3 -18,-0.1 3,-1.1 -0.910 38.3 -35.2-138.7 150.9 15.3 9.3 -1.5 96 123 A D H 3> S+ 0 0 52 -2,-0.3 4,-1.4 1,-0.2 -2,-0.0 -0.066 123.5 2.1 44.1-120.3 11.9 7.5 -1.3 97 124 A E H 3> S+ 0 0 145 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.874 132.3 55.8 -65.5 -41.3 9.9 8.5 1.8 98 125 A E H <> S+ 0 0 63 -3,-1.1 4,-1.4 1,-0.2 -1,-0.2 0.921 108.6 50.1 -57.0 -45.4 12.5 11.0 3.1 99 126 A W H X S+ 0 0 4 -4,-1.3 4,-2.5 1,-0.2 -1,-0.2 0.841 106.5 53.7 -60.6 -39.5 12.2 12.8 -0.2 100 127 A K H X S+ 0 0 69 -4,-1.4 4,-2.0 1,-0.2 -1,-0.2 0.896 105.3 53.0 -68.7 -42.0 8.4 13.0 -0.2 101 128 A R H X S+ 0 0 44 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.903 113.5 44.4 -52.9 -46.3 8.2 14.6 3.2 102 129 A L H X S+ 0 0 0 -4,-1.4 4,-2.8 2,-0.2 5,-0.3 0.922 108.3 54.6 -71.8 -49.4 10.7 17.4 2.1 103 130 A R H X S+ 0 0 41 -4,-2.5 4,-0.9 1,-0.2 -1,-0.2 0.894 113.0 46.8 -46.0 -43.9 9.1 18.0 -1.2 104 131 A S H < S+ 0 0 70 -4,-2.0 3,-0.3 1,-0.2 -2,-0.2 0.924 114.2 44.8 -68.4 -46.2 5.9 18.6 0.8 105 132 A L H < S+ 0 0 30 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.792 119.1 42.2 -66.8 -30.5 7.4 20.9 3.4 106 133 A L H >X S+ 0 0 1 -4,-2.8 3,-0.9 -5,-0.2 4,-0.5 0.566 92.4 85.2 -97.3 -9.4 9.3 22.9 0.9 107 134 A S G >< S+ 0 0 56 -4,-0.9 3,-2.0 -3,-0.3 -2,-0.1 0.946 83.8 55.7 -58.7 -51.3 6.6 23.2 -1.7 108 135 A P G >4 S+ 0 0 65 0, 0.0 3,-1.2 0, 0.0 6,-0.3 0.723 93.5 74.4 -56.9 -18.7 4.9 26.2 -0.2 109 136 A T G <4 S+ 0 0 6 -3,-0.9 -2,-0.2 1,-0.2 -3,-0.1 0.866 100.8 40.8 -56.1 -38.4 8.3 28.0 -0.4 110 137 A F G << S+ 0 0 25 -3,-2.0 -1,-0.2 -4,-0.5 305,-0.1 -0.035 85.8 141.4-109.0 28.0 7.9 28.4 -4.2 111 138 A T <> - 0 0 48 -3,-1.2 4,-0.7 1,-0.1 5,-0.0 0.052 66.3-112.4 -52.4 168.5 4.2 29.3 -4.4 112 139 A S H > S+ 0 0 63 2,-0.2 4,-2.3 3,-0.1 3,-0.2 0.925 120.3 51.2 -63.9 -52.7 2.8 31.9 -6.8 113 140 A G H > S+ 0 0 35 1,-0.2 4,-1.8 2,-0.2 3,-0.2 0.945 110.2 45.0 -47.6 -62.9 2.1 34.0 -3.7 114 141 A K H > S+ 0 0 68 -6,-0.3 4,-0.8 1,-0.2 -1,-0.2 0.751 111.2 56.5 -58.8 -25.4 5.6 33.8 -2.2 115 142 A L H >< S+ 0 0 7 -4,-0.7 3,-1.1 -3,-0.2 4,-0.5 0.951 103.8 51.2 -71.2 -47.2 7.0 34.5 -5.6 116 143 A K H >< S+ 0 0 93 -4,-2.3 3,-1.7 1,-0.3 -2,-0.2 0.906 106.7 55.7 -54.6 -44.1 5.2 37.7 -6.0 117 144 A E H 3< S+ 0 0 115 -4,-1.8 4,-0.3 1,-0.3 -1,-0.3 0.714 103.2 55.5 -63.2 -25.3 6.4 38.9 -2.6 118 145 A M T S+ 0 0 11 -3,-1.7 4,-2.9 -4,-0.5 5,-0.3 0.979 86.3 51.1 -60.7 -55.0 9.7 40.6 -6.7 120 147 A P H > S+ 0 0 91 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.806 112.9 48.9 -51.7 -29.4 10.5 43.8 -4.8 121 148 A I H > S+ 0 0 20 -4,-0.3 4,-0.6 -3,-0.2 3,-0.4 0.991 117.0 35.7 -75.0 -63.5 13.7 42.1 -3.4 122 149 A I H >X S+ 0 0 0 -4,-2.0 4,-0.7 1,-0.2 3,-0.7 0.783 112.7 61.2 -57.9 -29.7 15.2 40.6 -6.6 123 150 A A H >X S+ 0 0 21 -4,-2.9 3,-1.8 -5,-0.3 4,-1.6 0.941 95.8 62.1 -63.3 -43.3 14.1 43.7 -8.6 124 151 A Q H 3X S+ 0 0 92 -4,-1.1 4,-1.0 -3,-0.4 -1,-0.2 0.711 103.8 48.4 -52.0 -29.6 16.3 45.8 -6.2 125 152 A Y H X S+ 0 0 11 -4,-3.0 4,-0.9 -5,-0.2 3,-0.6 0.941 113.3 46.9 -64.0 -52.7 27.2 47.9 -12.5 133 160 A L H >X S+ 0 0 1 -4,-4.0 4,-1.9 1,-0.3 3,-0.9 0.872 104.4 64.1 -60.9 -40.2 27.0 47.0 -16.1 134 161 A R H 3X S+ 0 0 82 -4,-3.4 4,-1.6 1,-0.3 3,-0.3 0.907 95.9 59.1 -42.5 -51.8 26.7 50.7 -17.0 135 162 A R H -G 459 0B 40 -2,-0.3 4,-2.2 315,-0.2 315,-0.2 -0.906 15.7-162.7 -98.6 117.9 32.4 38.8 -19.2 145 172 A L H > S+ 0 0 0 313,-2.4 4,-3.8 -2,-0.6 5,-0.4 0.923 84.1 57.2 -70.2 -46.1 28.9 37.6 -18.8 146 173 A K H > S+ 0 0 96 312,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.842 111.9 46.0 -56.3 -31.3 29.4 34.7 -16.4 147 174 A D H > S+ 0 0 79 2,-0.2 4,-2.2 3,-0.2 -1,-0.2 0.954 114.7 43.3 -77.9 -51.0 31.0 37.2 -14.0 148 175 A V H X S+ 0 0 6 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.943 122.6 41.0 -56.8 -48.3 28.4 40.0 -14.3 149 176 A F H X S+ 0 0 0 -4,-3.8 4,-3.9 2,-0.2 5,-0.2 0.886 108.8 57.8 -71.4 -41.2 25.6 37.4 -14.1 150 177 A G H X S+ 0 0 3 -4,-2.3 4,-3.1 -5,-0.4 5,-0.3 0.955 108.3 49.3 -47.4 -49.9 27.2 35.3 -11.4 151 178 A A H X S+ 0 0 11 -4,-2.2 4,-3.3 1,-0.2 5,-0.2 0.976 113.4 45.5 -54.7 -60.8 27.3 38.5 -9.3 152 179 A Y H X S+ 0 0 3 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.873 113.8 49.5 -44.5 -52.2 23.6 39.1 -10.1 153 180 A S H X S+ 0 0 1 -4,-3.9 4,-2.4 2,-0.2 3,-0.3 0.951 113.9 44.0 -58.3 -52.3 22.7 35.4 -9.4 154 181 A M H X S+ 0 0 1 -4,-3.1 4,-2.7 1,-0.2 5,-0.2 0.925 110.2 57.2 -55.3 -50.0 24.6 35.3 -6.0 155 182 A D H X S+ 0 0 2 -4,-3.3 4,-1.5 -5,-0.3 -1,-0.2 0.868 111.7 43.2 -43.6 -42.2 23.1 38.7 -5.1 156 183 A V H X S+ 0 0 0 -4,-1.7 4,-1.8 -3,-0.3 -2,-0.2 0.895 112.2 49.4 -84.9 -41.4 19.6 37.2 -5.6 157 184 A I H X S+ 0 0 18 -4,-2.4 4,-0.8 2,-0.2 -2,-0.2 0.971 111.0 51.1 -55.4 -55.9 20.1 33.9 -3.8 158 185 A T H >< S+ 0 0 4 -4,-2.7 3,-1.4 1,-0.2 -2,-0.2 0.928 113.4 42.8 -51.1 -56.5 21.6 35.6 -0.7 159 186 A S H 3< S+ 0 0 3 -4,-1.5 3,-0.3 1,-0.3 -1,-0.2 0.812 110.6 54.9 -61.9 -36.9 18.8 38.1 -0.2 160 187 A T H 3< S+ 0 0 0 -4,-1.8 84,-3.5 1,-0.3 -1,-0.3 0.446 107.9 51.5 -84.3 -0.8 16.0 35.6 -0.9 161 188 A S S << S- 0 0 25 -3,-1.4 -1,-0.3 -4,-0.8 82,-0.1 -0.646 143.1 -30.3-127.2 78.5 17.3 33.3 1.8 162 189 A F S S- 0 0 1 -3,-0.3 2,-1.2 -2,-0.2 -1,-0.5 0.686 92.0 -88.4 65.4 124.8 17.5 35.8 4.7 163 190 A G + 0 0 18 -3,-0.1 2,-0.8 1,-0.1 -4,-0.2 -0.392 56.6 165.0 -71.9 93.7 18.3 39.2 3.3 164 191 A V - 0 0 32 -2,-1.2 2,-0.8 -9,-0.1 -5,-0.2 -0.688 25.6-156.9-107.6 77.3 22.1 39.5 3.1 165 192 A N + 0 0 105 -2,-0.8 2,-0.4 -7,-0.1 -10,-0.1 -0.374 27.0 155.3 -70.9 101.7 22.3 42.5 0.9 166 193 A I - 0 0 15 -2,-0.8 2,-1.6 -11,-0.2 3,-0.1 -0.988 48.6-138.3-137.7 136.3 25.6 42.4 -0.9 167 194 A D >> - 0 0 48 -2,-0.4 4,-1.2 1,-0.2 3,-0.9 -0.672 29.3-174.4 -81.7 81.1 27.1 43.8 -4.1 168 195 A S T 34 S+ 0 0 5 -2,-1.6 3,-0.2 1,-0.2 -1,-0.2 0.815 75.5 56.6 -50.3 -40.0 29.0 40.6 -4.8 169 196 A L T 34 S+ 0 0 64 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.1 0.855 115.9 34.5 -68.3 -37.0 30.8 42.0 -7.8 170 197 A N T <4 S+ 0 0 75 -3,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.481 112.7 62.5 -97.5 -4.2 32.4 44.9 -5.9 171 198 A N < + 0 0 63 -4,-1.2 3,-0.3 -3,-0.2 -1,-0.2 -0.424 59.3 162.3-112.4 57.8 32.8 43.0 -2.7 172 199 A P S S+ 0 0 74 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.807 74.5 42.5 -54.1 -30.6 35.2 40.4 -4.1 173 200 A Q + 0 0 154 -3,-0.2 5,-0.3 4,-0.1 -2,-0.1 0.834 67.2 124.2 -79.1 -41.1 36.1 39.6 -0.5 174 201 A D >> - 0 0 41 -3,-0.3 4,-1.8 3,-0.1 3,-1.5 0.162 66.5-121.8 -30.9 127.5 33.2 39.4 2.1 175 202 A P H 3> S+ 0 0 91 0, 0.0 4,-1.9 0, 0.0 3,-0.5 0.896 111.2 54.0 -44.4 -49.1 33.4 36.1 3.8 176 203 A F H 3> S+ 0 0 20 1,-0.2 4,-1.0 2,-0.2 5,-0.1 0.738 107.8 48.2 -58.2 -31.8 29.8 35.3 2.6 177 204 A V H <> S+ 0 0 0 -3,-1.5 4,-1.9 -6,-0.2 -1,-0.2 0.833 110.5 52.9 -75.5 -33.6 30.5 35.9 -1.1 178 205 A E H X S+ 0 0 87 -4,-1.8 4,-1.3 -3,-0.5 -2,-0.2 0.957 110.1 43.6 -70.3 -53.9 33.7 33.8 -1.0 179 206 A N H >< S+ 0 0 21 -4,-1.9 3,-1.2 2,-0.2 4,-0.4 0.973 116.1 46.6 -52.9 -63.2 32.2 30.6 0.4 180 207 A T H >< S+ 0 0 0 -4,-1.0 3,-2.4 1,-0.3 -1,-0.2 0.870 104.5 63.1 -48.0 -48.4 29.0 30.6 -1.7 181 208 A K H 3< S+ 0 0 77 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.874 97.4 58.0 -39.1 -49.0 31.2 31.3 -4.8 182 209 A K T << S+ 0 0 97 -4,-1.3 2,-2.4 -3,-1.2 -1,-0.3 0.553 76.2 100.7 -70.2 -8.4 32.9 27.9 -4.3 183 210 A L < + 0 0 11 -3,-2.4 2,-0.3 -4,-0.4 94,-0.3 -0.267 55.4 165.8 -74.7 58.3 29.5 26.1 -4.5 184 211 A L - 0 0 101 -2,-2.4 3,-0.1 1,-0.1 89,-0.1 -0.551 41.5-106.1 -80.2 135.3 30.1 25.1 -8.2 185 212 A R - 0 0 98 -2,-0.3 2,-0.2 88,-0.2 -1,-0.1 -0.186 48.9 -92.4 -55.1 150.9 28.0 22.3 -9.8 186 213 A F - 0 0 33 1,-0.1 2,-0.9 2,-0.0 -1,-0.1 -0.449 20.2-145.4 -84.5 140.0 29.7 19.0 -10.3 187 214 A D > - 0 0 38 -2,-0.2 3,-2.3 1,-0.1 6,-0.4 -0.853 10.9-167.1-100.0 95.7 31.6 17.8 -13.3 188 215 A F T 3 S+ 0 0 67 -2,-0.9 -1,-0.1 262,-0.3 9,-0.1 0.383 84.7 58.8 -69.7 7.0 30.9 14.1 -13.4 189 216 A L T 3 S+ 0 0 21 4,-0.0 -1,-0.3 5,-0.0 -160,-0.0 0.204 79.1 111.6-114.5 12.3 33.7 13.8 -16.0 190 217 A D S <> S- 0 0 43 -3,-2.3 4,-2.6 1,-0.1 5,-0.3 -0.433 87.3 -98.7 -78.1 165.0 36.5 15.2 -13.9 191 218 A P H > S+ 0 0 109 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.904 122.7 51.1 -44.9 -46.6 39.3 12.8 -12.7 192 219 A F H > S+ 0 0 84 1,-0.2 4,-1.8 2,-0.2 3,-0.1 0.945 113.6 39.7 -61.7 -57.1 37.7 12.5 -9.3 193 220 A F H > S+ 0 0 7 -6,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.738 109.6 60.3 -69.9 -26.0 34.2 11.6 -10.4 194 221 A L H X S+ 0 0 49 -4,-2.6 4,-1.6 2,-0.2 -1,-0.2 0.951 106.9 47.4 -63.2 -45.1 35.4 9.3 -13.2 195 222 A S H X S+ 0 0 54 -4,-2.0 4,-3.4 -5,-0.3 -2,-0.2 0.914 108.5 55.0 -59.6 -44.4 37.2 7.2 -10.5 196 223 A I H < S+ 0 0 9 -4,-1.8 6,-0.2 1,-0.2 -1,-0.2 0.882 107.8 49.7 -55.0 -43.5 34.0 7.2 -8.3 197 224 A T H < S+ 0 0 38 -4,-1.8 -146,-0.5 1,-0.2 -1,-0.2 0.853 116.6 39.9 -66.4 -36.0 32.0 5.7 -11.2 198 225 A V H < S+ 0 0 26 -4,-1.6 -2,-0.2 1,-0.3 3,-0.2 0.892 128.4 32.6 -81.9 -40.7 34.5 3.0 -12.0 199 226 A F >< + 0 0 87 -4,-3.4 3,-2.0 -5,-0.2 4,-0.3 -0.613 67.5 156.5-105.7 69.7 35.2 2.2 -8.3 200 227 A P G > + 0 0 71 0, 0.0 3,-1.9 0, 0.0 -1,-0.2 0.802 68.6 72.9 -67.4 -16.2 31.9 3.0 -6.7 201 228 A F G 3 S+ 0 0 136 1,-0.3 4,-0.4 -3,-0.2 -5,-0.1 0.547 85.1 68.0 -66.5 -8.7 33.0 0.6 -3.9 202 229 A L G <> S+ 0 0 55 -3,-2.0 4,-1.9 -6,-0.2 -1,-0.3 0.602 80.1 79.0 -87.4 -16.1 35.3 3.4 -2.9 203 230 A I H <> S+ 0 0 34 -3,-1.9 4,-2.4 -4,-0.3 5,-0.2 0.952 88.4 51.3 -58.1 -53.5 32.5 5.6 -1.8 204 231 A P H > S+ 0 0 85 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.811 108.7 55.0 -58.2 -29.4 31.8 4.0 1.6 205 232 A I H >> S+ 0 0 87 -4,-0.4 4,-1.0 2,-0.2 3,-0.5 0.974 109.0 44.9 -63.6 -57.1 35.5 4.4 2.4 206 233 A L H ><>S+ 0 0 36 -4,-1.9 5,-1.9 1,-0.2 3,-0.9 0.888 108.5 57.7 -53.7 -44.7 35.5 8.1 1.7 207 234 A E H ><5S+ 0 0 76 -4,-2.4 3,-1.0 1,-0.3 -1,-0.2 0.857 106.4 51.0 -53.3 -35.8 32.2 8.6 3.7 208 235 A V H <<5S+ 0 0 116 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.726 105.7 54.3 -81.1 -15.9 34.1 7.1 6.6 209 236 A L T <<5S- 0 0 112 -4,-1.0 -1,-0.2 -3,-0.9 -2,-0.2 0.215 114.6-115.4 -97.3 16.6 37.0 9.5 6.2 210 237 A N T < 5 + 0 0 111 -3,-1.0 2,-0.3 1,-0.2 -3,-0.2 0.707 67.9 144.8 56.0 25.5 34.6 12.5 6.4 211 238 A I < + 0 0 76 -5,-1.9 2,-0.3 4,-0.1 -1,-0.2 -0.649 23.4 176.7 -90.2 156.6 35.4 13.4 2.8 212 239 A C - 0 0 29 -2,-0.3 -128,-0.2 -128,-0.1 4,-0.2 -0.984 44.3-122.4-166.9 138.6 32.6 14.8 0.8 213 240 A V S S+ 0 0 17 -130,-2.8 -129,-0.1 -2,-0.3 -1,-0.1 0.764 104.9 70.2 -64.4 -27.1 31.9 16.3 -2.6 214 241 A F S S- 0 0 4 -131,-0.3 -1,-0.1 -130,-0.1 -127,-0.1 -0.835 102.5-116.2 -88.6 104.2 30.6 19.4 -0.8 215 242 A P >> - 0 0 74 0, 0.0 4,-1.8 0, 0.0 3,-0.8 -0.155 8.7-132.9 -45.6 125.6 33.8 21.0 0.6 216 243 A R H 3> S+ 0 0 155 1,-0.2 4,-2.7 -4,-0.2 5,-0.4 0.855 102.4 65.8 -37.6 -49.7 34.0 21.2 4.4 217 244 A E H 3> S+ 0 0 133 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.890 107.5 34.4 -45.9 -55.7 35.1 24.8 4.1 218 245 A V H <> S+ 0 0 5 -3,-0.8 4,-2.6 2,-0.2 -1,-0.2 0.902 118.8 48.8 -74.7 -42.9 31.8 26.2 2.6 219 246 A T H X S+ 0 0 8 -4,-1.8 4,-2.8 2,-0.2 5,-0.2 0.874 110.4 51.8 -69.1 -38.0 29.3 24.0 4.4 220 247 A N H 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