==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 06-APR-12 4EJI . COMPND 2 MOLECULE: CYTOCHROME P450 2A13; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR N.M.DEVORE,E.E.SCOTT . 464 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19757.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 337 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 33 7.1 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 . 2 0.4 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 . 1 0.2 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 . 19 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 201 43.3 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+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 0 1 0 1 1 0 0 1 1 1 2 0 1 2 1 1 0 0 0 0 0 1 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 4 3 1 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 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 31 A G 0 0 106 0, 0.0 2,-0.3 0, 0.0 354,-0.1 0.000 360.0 360.0 360.0 90.4 86.1 -28.2 6.4 2 32 A K - 0 0 114 352,-0.3 352,-3.0 0, 0.0 0, 0.0 -0.850 360.0-163.4-139.2 96.5 86.7 -30.6 9.4 3 33 A L - 0 0 40 -2,-0.3 37,-0.1 350,-0.2 352,-0.1 -0.274 30.8 -88.7 -88.6 156.6 83.6 -32.2 11.1 4 34 A P - 0 0 5 0, 0.0 35,-0.2 0, 0.0 -1,-0.1 -0.283 57.4 -96.9 -52.7 147.3 83.1 -34.0 14.5 5 35 A P + 0 0 54 0, 0.0 35,-2.2 0, 0.0 30,-0.1 -0.246 58.4 150.1 -65.8 159.0 83.8 -37.9 14.2 6 36 A G - 0 0 26 33,-0.2 35,-0.1 -3,-0.1 26,-0.0 -0.957 46.9 -63.1-179.3 167.5 80.7 -40.2 13.7 7 37 A P - 0 0 4 0, 0.0 35,-0.1 0, 0.0 11,-0.0 -0.291 59.2 -99.3 -68.3 145.2 79.5 -43.5 12.2 8 38 A T - 0 0 122 1,-0.1 2,-0.1 33,-0.0 34,-0.0 -0.502 44.4-139.6 -64.3 122.7 79.6 -43.9 8.4 9 39 A P - 0 0 47 0, 0.0 6,-0.2 0, 0.0 -1,-0.1 -0.437 1.4-129.9 -84.7 161.4 76.1 -43.2 6.9 10 40 A L B > -A 14 0A 85 4,-2.9 4,-1.8 32,-0.1 6,-0.1 -0.730 45.9 -81.0 -96.2 157.3 74.2 -45.0 4.2 11 41 A P T 4 S- 0 0 113 0, 0.0 2,-2.9 0, 0.0 -1,-0.1 -0.354 104.0 -15.8 -62.1 135.2 72.7 -43.0 1.3 12 42 A F T 4 S+ 0 0 103 1,-0.2 34,-0.1 32,-0.1 -2,-0.0 -0.333 133.8 64.3 70.0 -58.1 69.2 -41.3 2.2 13 43 A I T >4 S- 0 0 54 -2,-2.9 3,-1.2 1,-0.2 31,-0.7 0.715 83.3-174.5 -70.0 -13.9 68.7 -43.5 5.3 14 44 A G B 3< -AB 10 43A 3 -4,-1.8 -4,-2.9 1,-0.2 3,-0.3 -0.415 66.4 -15.1 59.6-126.1 71.8 -41.9 6.9 15 45 A N T > S+ 0 0 0 27,-2.8 3,-1.8 29,-0.2 -1,-0.2 -0.033 94.2 131.9 -97.2 29.2 72.7 -43.6 10.2 16 46 A Y G X + 0 0 88 -3,-1.2 3,-1.5 1,-0.3 -1,-0.2 0.810 64.2 58.5 -52.3 -40.5 69.3 -45.3 10.4 17 47 A L G 3 S+ 0 0 129 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.690 110.8 43.4 -65.3 -20.1 70.7 -48.7 11.2 18 48 A Q G < S+ 0 0 76 -3,-1.8 2,-0.6 1,-0.1 -1,-0.3 0.246 100.8 79.7-106.4 10.2 72.3 -47.3 14.4 19 49 A L < - 0 0 5 -3,-1.5 2,-0.8 -4,-0.2 5,-0.1 -0.934 66.5-154.2-130.3 105.8 69.4 -45.2 15.5 20 50 A N - 0 0 87 -2,-0.6 3,-0.5 3,-0.3 7,-0.3 -0.757 5.6-154.0 -87.0 113.0 66.7 -47.0 17.3 21 51 A T S > S+ 0 0 16 -2,-0.8 3,-0.5 1,-0.2 167,-0.2 0.786 90.3 59.1 -57.8 -33.8 63.6 -45.0 16.7 22 52 A E T 3 S+ 0 0 137 1,-0.3 426,-0.5 2,-0.1 -1,-0.2 0.866 123.2 17.7 -68.8 -41.0 62.0 -46.3 19.9 23 53 A Q T 3> + 0 0 47 -3,-0.5 4,-1.8 1,-0.1 -3,-0.3 -0.617 68.7 164.0-134.8 83.3 64.8 -45.1 22.2 24 54 A M H <> S+ 0 0 5 -3,-0.5 4,-2.6 424,-0.5 5,-0.2 0.901 75.1 61.3 -62.6 -39.1 66.7 -42.5 20.3 25 55 A Y H > S+ 0 0 8 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.903 105.8 46.4 -54.0 -48.5 68.3 -41.2 23.5 26 56 A N H > S+ 0 0 84 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.894 112.1 51.3 -60.9 -41.3 70.0 -44.6 24.2 27 57 A S H X S+ 0 0 16 -4,-1.8 4,-2.3 -7,-0.3 -1,-0.2 0.892 112.1 45.2 -63.7 -46.3 71.2 -44.9 20.6 28 58 A L H X S+ 0 0 7 -4,-2.6 4,-3.0 2,-0.2 -1,-0.2 0.889 110.9 53.0 -68.4 -41.8 72.7 -41.5 20.7 29 59 A M H X S+ 0 0 69 -4,-2.7 4,-2.3 -5,-0.2 -2,-0.2 0.908 109.6 51.4 -56.3 -41.7 74.4 -42.1 24.2 30 60 A K H X S+ 0 0 151 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.960 111.3 45.8 -59.0 -52.1 75.8 -45.3 22.7 31 61 A I H X S+ 0 0 10 -4,-2.3 4,-3.0 1,-0.2 5,-0.4 0.909 112.2 52.1 -57.3 -44.1 77.3 -43.4 19.7 32 62 A S H X S+ 0 0 14 -4,-3.0 4,-2.9 1,-0.2 -1,-0.2 0.914 108.6 50.4 -55.9 -44.8 78.6 -40.6 22.0 33 63 A E H < S+ 0 0 165 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.826 116.2 43.2 -62.8 -35.0 80.4 -43.2 24.2 34 64 A R H < S+ 0 0 180 -4,-1.6 -2,-0.2 -3,-0.2 -1,-0.2 0.935 129.9 21.2 -73.0 -55.2 81.9 -44.7 21.0 35 65 A Y H < S- 0 0 84 -4,-3.0 -3,-0.2 1,-0.3 -2,-0.2 0.679 113.9 -93.0 -93.4 -25.3 83.0 -41.5 19.1 36 66 A G < - 0 0 21 -4,-2.9 -1,-0.3 -5,-0.4 -2,-0.1 -0.649 45.9 -64.5 127.3 170.5 83.2 -38.7 21.8 37 67 A P S S+ 0 0 64 0, 0.0 15,-2.3 0, 0.0 2,-0.5 0.754 124.0 47.0 -70.4 -22.6 81.1 -36.0 23.5 38 68 A V E S+ C 0 51A 3 13,-0.2 2,-0.3 -3,-0.1 13,-0.2 -0.976 81.0 155.6-120.2 118.8 80.8 -34.0 20.3 39 69 A F E - C 0 50A 0 11,-1.7 11,-2.8 -2,-0.5 2,-0.4 -0.877 38.7-116.4-145.9 164.6 79.8 -36.1 17.2 40 70 A T E - C 0 49A 9 -35,-2.2 2,-0.3 -2,-0.3 9,-0.2 -0.913 29.1-179.4-112.1 133.1 78.2 -36.1 13.7 41 71 A I E - C 0 48A 1 7,-3.6 7,-3.2 -2,-0.4 2,-0.6 -0.910 25.4-136.5-126.1 157.5 75.1 -38.0 12.9 42 72 A H E - C 0 47A 36 -2,-0.3 -27,-2.8 5,-0.2 2,-1.2 -0.957 15.0-165.9-112.7 103.5 73.0 -38.5 9.6 43 73 A L E > S-BC 14 46A 5 3,-3.2 3,-1.8 -2,-0.6 -29,-0.2 -0.804 70.9 -55.9 -91.6 94.5 69.4 -38.2 10.6 44 74 A G T 3 S- 0 0 0 -2,-1.2 -29,-0.2 -31,-0.7 -31,-0.1 -0.459 123.8 -17.8 53.3-136.4 68.0 -39.6 7.3 45 75 A P T 3 S+ 0 0 83 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 0.624 119.8 101.4 -71.0 -6.1 69.6 -37.4 4.7 46 76 A R E < -C 43 0A 26 -3,-1.8 -3,-3.2 146,-0.2 2,-0.4 -0.632 64.4-143.4 -95.3 124.6 70.4 -34.6 7.2 47 77 A R E -C 42 0A 131 -2,-0.4 313,-0.8 -5,-0.2 2,-0.4 -0.660 28.3-180.0 -84.5 126.8 73.9 -34.1 8.7 48 78 A V E -Cd 41 360A 0 -7,-3.2 -7,-3.6 -2,-0.4 2,-0.5 -0.995 27.2-140.9-134.8 132.8 73.7 -33.1 12.3 49 79 A V E -Cd 40 361A 0 311,-3.2 313,-2.6 -2,-0.4 2,-0.3 -0.864 24.6-158.2 -87.0 130.2 76.2 -32.3 15.0 50 80 A V E -Cd 39 362A 0 -11,-2.8 -11,-1.7 -2,-0.5 2,-0.5 -0.794 5.2-153.5-110.8 140.6 75.2 -33.7 18.4 51 81 A L E -Cd 38 363A 0 311,-2.3 313,-2.5 -2,-0.3 2,-0.4 -0.975 12.2-170.0-123.9 126.2 76.4 -32.4 21.9 52 82 A C + 0 0 9 -15,-2.3 4,-0.5 -2,-0.5 313,-0.1 -0.948 47.1 9.7-122.6 126.4 76.5 -34.8 24.9 53 83 A G S > S- 0 0 14 311,-0.5 4,-2.1 -2,-0.4 315,-0.2 0.046 90.6 -73.6 89.2 162.5 77.0 -33.9 28.6 54 84 A H H > S+ 0 0 19 313,-0.3 4,-3.0 1,-0.2 5,-0.3 0.884 124.8 52.5 -58.6 -53.6 77.3 -30.6 30.4 55 85 A D H > S+ 0 0 79 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.899 112.0 44.2 -56.1 -45.5 80.7 -29.5 29.1 56 86 A A H > S+ 0 0 1 -4,-0.5 4,-1.5 2,-0.2 -1,-0.2 0.937 118.0 43.4 -68.0 -50.4 79.9 -30.0 25.4 57 87 A V H X S+ 0 0 1 -4,-2.1 4,-3.2 2,-0.2 5,-0.4 0.923 117.3 46.7 -57.3 -48.2 76.4 -28.3 25.6 58 88 A K H X>S+ 0 0 72 -4,-3.0 4,-2.8 1,-0.2 5,-1.4 0.958 109.2 54.1 -63.2 -48.2 77.7 -25.4 27.8 59 89 A E H <>S+ 0 0 61 -4,-2.8 5,-0.8 -5,-0.3 -1,-0.2 0.868 118.8 35.5 -54.8 -35.5 80.8 -24.8 25.7 60 90 A A H X5S+ 0 0 0 -4,-1.5 4,-0.6 3,-0.2 8,-0.4 0.963 124.2 36.2 -82.7 -56.5 78.6 -24.4 22.6 61 91 A L H <5S+ 0 0 3 -4,-3.2 345,-0.5 -5,-0.2 -3,-0.2 0.779 133.8 21.1 -80.9 -21.7 75.5 -22.8 23.8 62 92 A V T ><5S+ 0 0 59 -4,-2.8 3,-2.0 -5,-0.4 -3,-0.2 0.851 125.9 41.7-102.5 -66.9 77.1 -20.5 26.4 63 93 A D T 34X4 S+ 0 0 77 -4,-0.2 3,-0.8 1,-0.2 -1,-0.2 0.909 110.8 46.1 -75.8 -38.7 76.4 -16.1 19.4 67 97 A E T <4 S+ 0 0 44 -3,-0.5 278,-2.3 1,-0.2 279,-0.4 0.851 117.0 44.1 -71.7 -34.8 77.5 -18.8 16.9 68 98 A F T 3< S+ 0 0 2 -4,-1.9 275,-0.3 -8,-0.4 -1,-0.2 0.263 83.4 98.5 -96.0 8.4 75.1 -21.5 18.2 69 99 A S < + 0 0 12 -3,-0.8 -1,-0.2 -4,-0.3 275,-0.1 0.269 54.9 112.0 -82.1 9.3 72.0 -19.3 18.5 70 100 A G E -E 343 0A 1 273,-1.7 273,-1.3 -3,-0.3 2,-0.5 -0.453 68.3-125.2 -79.6 159.3 70.5 -20.4 15.1 71 101 A R E -E 342 0A 12 271,-0.3 271,-0.3 -2,-0.1 3,-0.1 -0.937 28.3-150.4-102.8 122.4 67.3 -22.5 15.1 72 102 A G - 0 0 4 269,-1.7 271,-0.2 -2,-0.5 2,-0.2 -0.182 32.0 -65.2 -79.6-177.1 67.7 -25.8 13.1 73 103 A E - 0 0 73 269,-0.2 2,-0.2 -2,-0.0 -1,-0.2 -0.482 40.3-176.1 -69.0 142.4 65.1 -27.9 11.1 74 104 A Q >> - 0 0 22 -2,-0.2 4,-2.7 1,-0.1 3,-1.8 -0.830 7.7-165.1-142.6 96.2 62.2 -29.6 12.9 75 105 A A H 3> S+ 0 0 5 1,-0.3 4,-0.7 -2,-0.2 -1,-0.1 0.788 81.9 61.2 -64.0 -36.7 60.2 -31.7 10.5 76 106 A T H 34 S+ 0 0 2 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.809 124.4 20.6 -54.1 -29.5 57.1 -32.2 12.6 77 107 A F H X> S+ 0 0 36 -3,-1.8 4,-2.0 2,-0.1 3,-1.1 0.712 102.3 78.1-116.0 -28.9 56.6 -28.5 12.6 78 108 A D H 3X S+ 0 0 42 -4,-2.7 4,-2.3 1,-0.2 -3,-0.1 0.796 85.3 66.7 -59.9 -37.3 58.4 -26.7 9.8 79 109 A W H 3< S+ 0 0 80 -4,-0.7 -1,-0.2 -5,-0.2 -2,-0.1 0.853 115.4 32.2 -53.0 -30.4 55.8 -27.7 7.1 80 110 A L H <4 S+ 0 0 7 -3,-1.1 -2,-0.2 -4,-0.1 -1,-0.2 0.913 125.9 37.2 -93.0 -51.7 53.5 -25.4 9.0 81 111 A F H >< S- 0 0 8 -4,-2.0 3,-2.2 2,-0.1 -3,-0.2 0.850 76.7-167.2 -72.0 -40.8 55.7 -22.6 10.5 82 112 A K T 3< S- 0 0 140 -4,-2.3 3,-0.1 1,-0.3 -4,-0.1 0.819 74.8 -50.1 55.3 36.5 58.0 -22.3 7.5 83 113 A G T 3 S+ 0 0 26 1,-0.3 7,-0.3 6,-0.1 -1,-0.3 0.457 112.8 118.2 84.5 3.6 60.5 -20.2 9.5 84 114 A Y < + 0 0 65 -3,-2.2 -1,-0.3 5,-0.1 4,-0.2 -0.709 45.7 47.9 -99.2 157.7 57.9 -17.7 10.9 85 115 A G S > S- 0 0 0 -2,-0.2 4,-0.7 1,-0.1 3,-0.3 -0.022 95.0 -79.9 95.5 158.1 56.9 -17.1 14.6 86 116 A V T >4 S+ 0 0 8 174,-0.3 3,-0.7 1,-0.2 12,-0.1 0.905 124.3 46.6 -59.6 -46.6 59.3 -16.6 17.4 87 117 A A T 34 S+ 0 0 23 1,-0.2 -1,-0.2 176,-0.2 -2,-0.1 0.721 118.5 40.8 -70.6 -26.1 60.3 -20.2 18.2 88 118 A F T 34 S+ 0 0 19 -3,-0.3 -1,-0.2 -4,-0.2 -2,-0.2 0.369 95.7 98.8-107.9 3.5 61.0 -21.2 14.6 89 119 A S << - 0 0 1 -3,-0.7 2,-0.3 -4,-0.7 -5,-0.1 -0.404 52.1-150.7 -91.6 171.5 62.7 -18.1 13.3 90 120 A N >> - 0 0 64 -7,-0.3 4,-1.2 -2,-0.1 3,-1.0 -0.841 51.0 -13.5-132.1 164.4 66.4 -17.1 12.7 91 121 A G H 3> S+ 0 0 40 -2,-0.3 4,-2.0 1,-0.2 3,-0.1 -0.017 126.3 2.1 49.2-132.2 68.6 -14.1 12.6 92 122 A E H 3> S+ 0 0 114 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.837 131.6 55.4 -56.0 -41.8 66.8 -10.8 12.6 93 123 A R H <> S+ 0 0 56 -3,-1.0 4,-2.4 1,-0.2 5,-0.3 0.951 108.5 48.9 -58.2 -48.8 63.3 -12.2 12.8 94 124 A A H X S+ 0 0 7 -4,-1.2 4,-2.4 2,-0.2 5,-0.2 0.892 110.4 50.5 -57.4 -49.0 64.1 -14.2 15.9 95 125 A K H X S+ 0 0 91 -4,-2.0 4,-2.5 1,-0.2 5,-0.2 0.932 113.8 43.6 -56.9 -53.4 65.7 -11.1 17.7 96 126 A Q H X S+ 0 0 27 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.926 117.5 43.8 -54.5 -55.1 62.7 -8.8 17.0 97 127 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.2 5,-0.2 0.891 115.9 48.6 -64.9 -40.0 60.0 -11.3 17.9 98 128 A R H X S+ 0 0 38 -4,-2.4 4,-2.5 -5,-0.3 -2,-0.2 0.933 111.4 48.2 -63.0 -48.8 61.8 -12.5 20.9 99 129 A R H X S+ 0 0 152 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.886 117.9 42.0 -60.7 -40.8 62.4 -9.0 22.3 100 130 A F H X S+ 0 0 21 -4,-2.3 4,-3.4 2,-0.2 5,-0.3 0.922 111.8 52.7 -73.0 -46.4 58.8 -8.0 21.7 101 131 A S H X S+ 0 0 0 -4,-2.7 4,-2.4 -5,-0.2 5,-0.2 0.942 113.1 47.0 -57.5 -42.7 57.3 -11.2 23.0 102 132 A I H X S+ 0 0 44 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.950 114.3 45.7 -62.8 -46.4 59.4 -10.8 26.2 103 133 A A H X S+ 0 0 56 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.917 115.2 48.9 -68.6 -36.2 58.4 -7.0 26.6 104 134 A T H X S+ 0 0 14 -4,-3.4 4,-1.2 2,-0.2 -1,-0.2 0.871 109.1 48.8 -74.3 -40.1 54.8 -7.8 26.0 105 135 A L H <>S+ 0 0 13 -4,-2.4 5,-2.3 -5,-0.3 3,-0.3 0.899 111.3 51.4 -68.5 -39.0 54.5 -10.7 28.4 106 136 A R H ><5S+ 0 0 128 -4,-2.4 3,-1.9 1,-0.2 -2,-0.2 0.933 106.3 56.8 -55.3 -45.0 56.2 -8.5 31.1 107 137 A G H 3<5S+ 0 0 64 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.784 104.5 51.2 -58.0 -32.5 53.6 -5.8 30.3 108 138 A F T 3<5S- 0 0 65 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.373 134.2 -86.5 -86.7 6.8 50.7 -8.3 31.0 109 139 A G T X 5S+ 0 0 7 -3,-1.9 3,-2.1 1,-0.3 6,-1.4 0.307 72.1 154.0 113.6 -6.8 52.3 -9.2 34.4 110 140 A V T 3 S- 0 0 109 -3,-2.1 4,-1.4 -6,-0.0 3,-0.6 -0.772 100.8 -80.2-133.3-175.4 55.6 -9.7 38.7 113 143 A R H 3> S+ 0 0 148 -2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.834 117.2 66.4 -53.0 -37.9 52.7 -9.6 41.2 114 144 A G H 3> S+ 0 0 35 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.845 102.7 41.6 -58.6 -41.4 50.1 -9.6 38.3 115 145 A I H <> S+ 0 0 1 -6,-1.4 4,-3.0 -3,-0.6 5,-0.2 0.887 109.7 58.9 -77.1 -38.0 50.7 -13.1 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4,-1.9 1,-0.0 3,-0.3 -0.908 77.6 -84.7-149.5 174.4 53.1 -8.7 10.1 258 288 A L H > S+ 0 0 81 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.804 119.7 52.1 -61.2 -44.8 50.2 -11.2 10.3 259 289 A K H > S+ 0 0 71 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.944 112.0 47.1 -53.8 -54.4 52.1 -14.4 9.6 260 290 A N H > S+ 0 0 0 -3,-0.3 4,-2.1 -5,-0.2 -174,-0.3 0.836 113.6 50.4 -55.5 -33.8 54.6 -13.7 12.4 261 291 A L H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 5,-0.2 0.952 111.5 45.3 -70.4 -54.3 51.7 -12.8 14.7 262 292 A V H X S+ 0 0 9 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.975 118.7 43.2 -50.0 -57.1 49.7 -16.0 14.1 263 293 A M H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.854 113.9 48.6 -58.6 -46.5 52.8 -18.2 14.4 264 294 A T H X S+ 0 0 0 -4,-2.1 4,-2.5 -5,-0.2 -1,-0.2 0.906 113.5 48.4 -59.1 -42.3 54.2 -16.5 17.6 265 295 A T H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 5,-0.3 0.922 110.0 51.3 -66.1 -47.6 50.8 -16.6 19.3 266 296 A L H X S+ 0 0 0 -4,-2.7 4,-2.7 -5,-0.2 5,-0.3 0.921 109.9 52.0 -48.1 -47.5 50.5 -20.3 18.3 267 297 A N H X S+ 0 0 12 -4,-2.4 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V H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 3,-0.4 0.947 109.7 52.9 -66.8 -43.3 56.3 -31.5 51.1 298 328 A H H X S+ 0 0 17 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.866 107.5 49.4 -55.6 -41.9 53.0 -31.6 53.1 299 329 A E H X S+ 0 0 93 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.811 111.3 50.1 -73.0 -26.7 54.7 -30.7 56.3 300 330 A E H X S+ 0 0 7 -4,-1.3 4,-2.6 -3,-0.4 5,-0.5 0.896 111.6 46.5 -76.3 -41.8 56.5 -27.8 54.7 301 331 A I H X>S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-1.8 0.978 113.4 50.5 -58.0 -54.9 53.3 -26.4 53.2 302 332 A D H <5S+ 0 0 53 -4,-2.6 -2,-0.2 3,-0.2 -1,-0.2 0.863 117.3 41.1 -49.7 -40.5 51.6 -26.8 56.6 303 333 A R H <5S+ 0 0 154 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.956 124.8 28.7 -80.2 -52.2 54.4 -25.0 58.4 304 334 A V H <5S+ 0 0 32 -4,-2.6 -3,-0.2 -5,-0.1 -2,-0.2 0.845 137.6 16.3 -78.0 -35.7 55.4 -22.1 56.1 305 335 A I T <5S- 0 0 15 -4,-2.8 2,-0.2 -5,-0.5 4,-0.2 0.885 93.2-130.8-109.7 -65.9 52.0 -21.5 54.4 306 336 A G < - 0 0 19 -5,-1.8 -1,-0.2 2,-0.1 -3,-0.1 -0.813 34.8 -72.9 136.7-175.8 49.0 -23.1 56.2 307 337 A K S S+ 0 0 143 -2,-0.2 -1,-0.1 -5,-0.1 157,-0.1 0.503 125.2 11.4 -87.6 -7.8 46.0 -25.2 55.3 308 338 A N S S+ 0 0 136 -3,-0.1 -2,-0.1 2,-0.1 121,-0.0 0.646 89.2 104.5-142.1 -39.1 44.3 -22.2 53.6 309 339 A R S S- 0 0 94 -4,-0.2 -4,-0.0 1,-0.1 -3,-0.0 -0.347 78.9-112.6 -53.3 134.4 46.4 -19.1 53.0 310 340 A Q - 0 0 99 1,-0.1 -1,-0.1 -5,-0.0 -190,-0.1 -0.568 31.7-104.9 -83.7 134.5 47.1 -19.3 49.3 311 341 A P - 0 0 0 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.214 34.3-162.2 -48.7 139.5 50.7 -19.9 48.3 312 342 A K > - 0 0 79 1,-0.1 3,-2.3 108,-0.0 4,-0.4 -0.935 32.1-111.4-119.4 160.4 52.7 -16.9 46.9 313 343 A F G > S+ 0 0 36 -2,-0.3 3,-1.7 1,-0.3 4,-0.3 0.864 114.6 64.6 -64.5 -37.2 55.9 -17.0 44.9 314 344 A E G >> S+ 0 0 122 1,-0.2 3,-1.2 2,-0.2 4,-0.5 0.726 85.6 73.8 -46.1 -32.3 57.8 -15.5 47.9 315 345 A D G X4 S+ 0 0 12 -3,-2.3 3,-0.9 1,-0.2 4,-0.3 0.779 78.9 76.0 -58.0 -26.4 57.0 -18.6 50.0 316 346 A R G X4 S+ 0 0 88 -3,-1.7 3,-1.4 -4,-0.4 7,-0.2 0.802 83.3 63.5 -59.4 -31.3 59.6 -20.6 48.0 317 347 A A G <4 S+ 0 0 82 -3,-1.2 -1,-0.3 1,-0.3 76,-0.2 0.916 108.0 42.9 -57.9 -41.6 62.5 -19.0 49.8 318 348 A K G << S+ 0 0 153 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.425 108.2 64.7 -89.7 5.7 61.3 -20.5 53.0 319 349 A M <> + 0 0 0 -3,-1.4 4,-1.8 -4,-0.3 -1,-0.2 -0.621 50.8 155.9-125.5 67.1 60.5 -23.9 51.4 320 350 A P H > S+ 0 0 18 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.868 75.2 56.0 -66.8 -29.1 63.8 -25.5 50.2 321 351 A Y H > S+ 0 0 28 2,-0.2 4,-2.7 1,-0.2 3,-0.3 0.984 108.6 44.1 -66.1 -52.5 62.4 -29.0 50.3 322 352 A T H > S+ 0 0 2 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.861 113.9 52.5 -54.8 -43.2 59.4 -28.3 48.0 323 353 A E H X S+ 0 0 23 -4,-1.8 4,-2.3 -7,-0.2 -1,-0.2 0.839 109.1 48.9 -59.8 -41.5 61.7 -26.4 45.6 324 354 A A H X S+ 0 0 0 -4,-2.0 4,-2.9 -3,-0.3 -2,-0.2 0.908 111.0 50.8 -66.5 -44.3 64.1 -29.3 45.5 325 355 A V H X S+ 0 0 3 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.916 111.6 47.1 -56.7 -47.4 61.2 -31.7 44.8 326 356 A I H X S+ 0 0 5 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.940 114.5 46.0 -63.1 -48.3 59.9 -29.5 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