==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 02-AUG-06 2J0D . COMPND 2 MOLECULE: CYTOCHROME P450 3A4; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.SJOGREN,M.EKROOS . 891 10 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41930.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 616 69.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 59 6.6 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 . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 52 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 122 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 343 38.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.5 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 5 3 1 3 4 2 0 0 0 4 2 1 1 1 3 0 2 0 0 0 0 0 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 0 0 2 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 . 6 3 1 3 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 . 4 1 0 0 2 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 29 A S > 0 0 112 0, 0.0 3,-1.3 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 -48.5 -15.4 13.7 30.5 2 30 A H T 3 + 0 0 46 1,-0.2 4,-0.2 2,-0.1 3,-0.1 0.303 360.0 66.7 -74.8 6.9 -18.7 12.1 31.8 3 31 A G T 3> + 0 0 33 1,-0.1 4,-2.6 2,-0.1 -1,-0.2 0.216 69.8 101.0-109.8 12.1 -20.2 15.1 30.0 4 32 A L H <> S+ 0 0 34 -3,-1.3 4,-2.0 2,-0.2 5,-0.1 0.950 83.5 41.7 -63.2 -52.7 -19.2 13.8 26.5 5 33 A F H >>S+ 0 0 7 2,-0.2 5,-3.2 -4,-0.2 4,-0.8 0.869 116.0 49.6 -68.3 -37.2 -22.5 12.4 25.5 6 34 A K H >45S+ 0 0 184 3,-0.2 3,-1.9 2,-0.2 -2,-0.2 0.985 109.8 51.7 -58.5 -57.1 -24.5 15.3 26.9 7 35 A K H 3<5S+ 0 0 149 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.858 115.2 42.9 -47.0 -41.3 -22.1 17.7 25.1 8 36 A L H 3<5S- 0 0 51 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.541 115.2-115.9 -86.5 -8.7 -22.8 15.8 21.9 9 37 A G T <<5 + 0 0 65 -3,-1.9 -3,-0.2 -4,-0.8 -2,-0.1 0.779 65.2 142.3 81.0 28.9 -26.6 15.4 22.4 10 38 A I < - 0 0 19 -5,-3.2 -1,-0.3 -6,-0.1 -2,-0.1 -0.905 48.3-127.7-106.0 123.1 -26.6 11.7 22.8 11 39 A P + 0 0 58 0, 0.0 34,-2.1 0, 0.0 29,-0.1 -0.235 41.5 148.0 -66.8 157.3 -29.1 10.3 25.4 12 40 A G - 0 0 22 32,-0.2 34,-0.1 27,-0.1 32,-0.0 -0.910 52.8 -77.7-178.9 158.3 -27.8 7.8 28.0 13 41 A P - 0 0 20 0, 0.0 34,-0.1 0, 0.0 8,-0.0 -0.370 61.1-102.3 -64.8 147.5 -28.3 6.7 31.5 14 42 A T - 0 0 125 1,-0.1 2,-0.2 32,-0.1 32,-0.0 -0.578 38.3-133.7 -83.4 130.1 -26.6 9.1 33.9 15 43 A P - 0 0 33 0, 0.0 6,-0.2 0, 0.0 -1,-0.1 -0.520 6.0-125.4 -83.5 149.0 -23.2 8.1 35.3 16 44 A L B > -A 20 0A 85 4,-2.4 4,-1.5 -2,-0.2 6,-0.1 -0.585 44.8 -94.9 -79.4 150.2 -21.9 8.1 38.9 17 45 A P T 4 S+ 0 0 96 0, 0.0 -15,-0.1 0, 0.0 -1,-0.1 0.729 109.4 3.8 -38.7 -44.2 -18.5 10.0 39.2 18 46 A F T 4 S+ 0 0 141 2,-0.1 3,-0.1 32,-0.0 0, 0.0 0.756 127.8 53.7-116.5 -36.4 -16.1 7.1 39.0 19 47 A L T >4 S- 0 0 62 1,-0.3 3,-1.8 31,-0.1 30,-1.5 0.623 81.0-161.0 -76.2 -13.6 -18.0 3.9 38.3 20 48 A G B 3< -AB 16 48A 2 -4,-1.5 -4,-2.4 1,-0.2 -1,-0.3 -0.563 66.9 -35.9 62.9-121.6 -19.8 5.4 35.2 21 49 A N T > S+ 0 0 5 26,-3.3 3,-2.8 -2,-0.4 4,-0.5 0.284 102.6 117.4-111.0 11.6 -22.8 3.1 34.7 22 50 A I G X + 0 0 19 -3,-1.8 3,-0.8 25,-0.4 -1,-0.1 0.686 67.8 65.7 -57.6 -19.0 -21.2 -0.2 35.8 23 51 A L G > S+ 0 0 100 1,-0.2 3,-0.9 -3,-0.2 -1,-0.3 0.701 91.1 63.8 -74.1 -18.2 -23.6 -0.6 38.7 24 52 A S G X S+ 0 0 43 -3,-2.8 3,-1.4 1,-0.2 -1,-0.2 0.675 83.1 79.2 -76.7 -17.2 -26.5 -1.0 36.2 25 53 A Y G X + 0 0 35 -3,-0.8 3,-1.8 -4,-0.5 -1,-0.2 0.428 63.9 94.5 -66.8 -0.2 -24.7 -4.2 35.1 26 54 A H G < S+ 0 0 128 -3,-0.9 -1,-0.3 1,-0.3 -2,-0.1 0.793 82.3 53.4 -62.9 -28.1 -26.2 -5.9 38.1 27 55 A K G <> S- 0 0 117 -3,-1.4 4,-0.5 1,-0.2 -1,-0.3 0.302 124.5-100.8 -86.3 5.7 -29.1 -6.9 35.8 28 56 A G H <> - 0 0 3 -3,-1.8 4,-1.3 405,-0.3 -1,-0.2 0.085 33.7 -84.2 86.4 156.0 -26.6 -8.5 33.3 29 57 A F H > S+ 0 0 58 405,-0.7 4,-1.8 406,-0.2 -1,-0.1 0.775 122.2 56.4 -63.5 -30.6 -25.4 -7.1 30.0 30 58 A C H > S+ 0 0 8 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.923 108.2 41.8 -73.0 -48.5 -28.4 -8.3 28.0 31 59 A M H X S+ 0 0 77 -4,-0.5 4,-2.3 1,-0.2 5,-0.2 0.819 112.9 57.6 -71.2 -27.8 -31.2 -6.7 29.9 32 60 A F H X S+ 0 0 11 -4,-1.3 4,-2.0 2,-0.2 -2,-0.2 0.918 109.5 43.4 -65.9 -45.1 -29.1 -3.5 30.2 33 61 A D H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.947 113.4 51.8 -62.9 -49.8 -28.8 -3.3 26.4 34 62 A M H X S+ 0 0 71 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.896 112.3 45.2 -56.0 -47.0 -32.5 -4.1 25.9 35 63 A E H X S+ 0 0 129 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.927 112.8 49.9 -63.7 -47.3 -33.7 -1.4 28.3 36 64 A C H X S+ 0 0 5 -4,-2.0 4,-2.8 -5,-0.2 5,-0.5 0.857 112.0 49.9 -58.5 -36.6 -31.3 1.2 26.9 37 65 A H H X S+ 0 0 28 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.954 112.7 44.1 -68.2 -49.7 -32.5 0.4 23.4 38 66 A K H < S+ 0 0 187 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.780 123.4 39.3 -66.3 -24.5 -36.2 0.6 24.3 39 67 A K H < S+ 0 0 150 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.841 125.2 28.6 -96.8 -40.4 -35.6 3.8 26.3 40 68 A Y H >< S- 0 0 49 -4,-2.8 3,-0.5 1,-0.2 2,-0.5 0.525 93.9-153.0-107.0 -11.3 -33.0 5.9 24.3 41 69 A G T 3< + 0 0 31 -4,-1.6 -1,-0.2 -5,-0.5 -2,-0.1 -0.616 58.8 7.6 88.1-126.1 -33.8 4.6 20.9 42 70 A K T 3 S+ 0 0 166 -2,-0.5 15,-0.4 1,-0.2 2,-0.3 0.649 128.3 10.0 -80.3 -12.5 -31.5 4.5 17.9 43 71 A V < + 0 0 25 -3,-0.5 2,-0.3 13,-0.2 13,-0.2 -0.972 65.9 175.5-170.6 136.9 -28.2 5.3 19.6 44 72 A W E - C 0 55A 0 11,-1.5 11,-3.0 -2,-0.3 2,-0.4 -0.991 16.2-140.7-157.7 155.6 -27.1 5.8 23.2 45 73 A G E + C 0 54A 1 -34,-2.1 2,-0.2 -2,-0.3 9,-0.2 -0.960 23.2 157.2-126.4 140.0 -24.1 6.4 25.3 46 74 A F E - C 0 53A 0 7,-2.3 7,-3.0 -2,-0.4 2,-0.4 -0.843 31.2-113.1-145.9-174.7 -22.8 5.1 28.6 47 75 A Y E - C 0 52A 7 -2,-0.2 -26,-3.3 5,-0.2 2,-1.1 -0.978 2.7-156.9-137.0 121.7 -19.6 4.7 30.6 48 76 A D E > S-BC 20 51A 14 3,-1.8 3,-1.8 -2,-0.4 2,-1.1 -0.807 85.3 -56.3 -89.8 92.2 -17.6 1.6 31.7 49 77 A G T 3 S- 0 0 0 -30,-1.5 143,-0.2 -2,-1.1 142,-0.1 -0.643 126.2 -15.8 66.1-104.0 -15.9 3.4 34.5 50 78 A Q T 3 S+ 0 0 70 -2,-1.1 -1,-0.3 141,-0.8 142,-0.1 0.573 112.0 105.2-106.0 -13.9 -14.4 6.2 32.5 51 79 A Q E < -C 48 0A 54 -3,-1.8 -3,-1.8 140,-0.3 2,-0.3 -0.580 65.9-134.6 -81.7 115.8 -14.7 4.8 29.0 52 80 A P E -C 47 0A 18 0, 0.0 295,-2.4 0, 0.0 2,-0.5 -0.536 22.3-167.8 -65.7 132.5 -17.4 6.3 26.8 53 81 A V E -Cd 46 347A 0 -7,-3.0 -7,-2.3 -2,-0.3 2,-0.6 -0.994 4.6-162.1-122.7 128.0 -19.3 3.6 25.0 54 82 A L E -Cd 45 348A 4 293,-3.1 295,-2.4 -2,-0.5 2,-0.3 -0.945 6.9-153.8-114.9 112.2 -21.6 4.5 22.1 55 83 A A E -Cd 44 349A 0 -11,-3.0 -11,-1.5 -2,-0.6 2,-0.3 -0.693 13.9-165.4 -84.8 138.5 -24.1 1.9 21.1 56 84 A I + 0 0 0 293,-2.0 -13,-0.2 -2,-0.3 -14,-0.0 -0.862 19.2 177.7-129.3 163.6 -25.3 2.0 17.5 57 85 A T + 0 0 12 -15,-0.4 -14,-0.1 -2,-0.3 -1,-0.1 0.511 43.4 106.2-147.3 -15.0 -28.3 0.4 15.8 58 86 A D > - 0 0 64 -16,-0.2 4,-2.8 1,-0.1 5,-0.2 -0.715 61.0-141.1 -86.5 123.2 -28.5 1.4 12.1 59 87 A P H > S+ 0 0 14 0, 0.0 4,-2.9 0, 0.0 -1,-0.1 0.865 104.1 52.8 -50.5 -38.7 -27.5 -1.4 9.7 60 88 A D H > S+ 0 0 100 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.935 110.6 43.8 -61.0 -51.6 -25.9 1.3 7.6 61 89 A M H > S+ 0 0 13 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.863 113.9 53.1 -64.2 -36.1 -23.8 2.8 10.4 62 90 A I H X S+ 0 0 0 -4,-2.8 4,-3.0 2,-0.2 5,-0.3 0.938 107.0 50.9 -65.1 -49.0 -22.9 -0.7 11.5 63 91 A K H X>S+ 0 0 75 -4,-2.9 4,-2.1 -5,-0.2 5,-1.8 0.898 108.7 53.5 -53.4 -43.7 -21.7 -1.6 8.0 64 92 A T H <>S+ 0 0 10 -4,-2.2 5,-3.7 3,-0.2 -1,-0.2 0.897 115.7 37.7 -58.6 -44.1 -19.5 1.5 8.0 65 93 A V H <5S+ 0 0 0 -4,-1.8 -2,-0.2 3,-0.2 -1,-0.2 0.882 122.9 40.7 -78.2 -36.1 -17.8 0.6 11.3 66 94 A L H <5S+ 0 0 0 -4,-3.0 328,-0.4 -5,-0.2 -2,-0.2 0.686 135.9 4.9 -88.2 -19.6 -17.6 -3.2 10.8 67 95 A V T <5S+ 0 0 52 -4,-2.1 3,-0.4 -5,-0.3 4,-0.3 0.665 126.9 42.7-128.9 -54.5 -16.6 -3.3 7.1 68 96 A K T XS+ 0 0 73 -5,-3.7 4,-2.7 1,-0.2 5,-2.2 0.204 91.3 114.1 -89.4 18.9 -14.0 2.0 8.0 70 98 A C T 45S+ 0 0 1 -3,-0.4 -1,-0.2 3,-0.2 4,-0.1 0.951 81.1 30.8 -52.7 -67.3 -12.5 -1.1 9.5 71 99 A Y T 45S+ 0 0 114 -4,-0.3 -1,-0.2 -3,-0.3 4,-0.2 0.873 125.3 46.4 -63.0 -39.1 -8.8 -0.8 8.7 72 100 A S T 45S- 0 0 55 -4,-0.3 -2,-0.2 2,-0.1 -1,-0.2 0.849 136.0 -9.1 -76.2 -37.3 -8.8 3.0 8.8 73 101 A V T <5S+ 0 0 2 -4,-2.7 259,-2.7 -8,-0.1 2,-0.4 0.687 127.6 47.2-134.4 -35.4 -10.7 3.7 12.0 74 102 A F < + 0 0 0 -5,-2.2 257,-0.1 257,-0.2 -2,-0.1 -0.528 67.9 125.0-116.8 63.1 -12.4 0.8 13.8 75 103 A T + 0 0 4 -2,-0.4 2,-0.3 255,-0.2 -1,-0.2 0.797 57.6 57.4 -91.9 -33.6 -9.6 -1.8 13.7 76 104 A N - 0 0 9 254,-0.4 254,-3.4 -3,-0.2 2,-0.1 -0.676 65.2-134.2-111.3 153.2 -9.2 -2.8 17.4 77 105 A R - 0 0 87 14,-0.3 252,-0.1 -2,-0.3 3,-0.1 -0.390 59.6 -62.3 -80.6 172.9 -11.3 -4.1 20.2 78 106 A R - 0 0 76 -2,-0.1 -1,-0.2 1,-0.1 2,-0.1 -0.294 62.0-112.5 -51.4 139.4 -11.1 -2.6 23.7 79 107 A P - 0 0 86 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.466 35.8-172.5 -68.2 152.6 -7.6 -2.9 25.1 80 108 A F - 0 0 82 12,-0.1 3,-0.1 -2,-0.1 -3,-0.0 -0.891 17.6-130.1-148.9 119.7 -7.3 -5.3 28.0 81 109 A G + 0 0 6 -2,-0.3 125,-0.1 1,-0.2 116,-0.0 -0.640 64.8 40.9-113.7 178.4 -4.1 -5.7 30.0 82 110 A P + 0 0 0 0, 0.0 125,-3.3 0, 0.0 126,-0.3 0.455 62.7 139.7 -95.4 133.2 -2.0 -7.0 31.4 83 111 A V > - 0 0 9 123,-0.2 3,-2.0 1,-0.2 123,-0.1 0.531 28.0-170.2-117.3 -7.9 -1.3 -9.6 28.7 84 112 A G G > S- 0 0 40 1,-0.3 3,-1.0 121,-0.2 -1,-0.2 -0.282 76.9 -2.1 58.8-122.1 2.5 -10.1 28.3 85 113 A F G > S+ 0 0 41 1,-0.2 3,-1.4 2,-0.1 -1,-0.3 0.607 119.3 79.6 -79.8 -13.1 3.4 -12.3 25.3 86 114 A M G X + 0 0 0 -3,-2.0 3,-2.3 1,-0.3 6,-0.3 0.557 66.0 88.2 -70.3 -7.4 -0.3 -12.9 24.5 87 115 A K G < S+ 0 0 138 -3,-1.0 -1,-0.3 1,-0.3 7,-0.2 0.660 81.5 64.5 -62.2 -13.9 -0.3 -9.4 22.8 88 116 A S G < S+ 0 0 18 -3,-1.4 -1,-0.3 5,-0.1 -2,-0.2 0.604 78.5 107.4 -82.2 -16.6 0.8 -11.6 19.9 89 117 A A S <> S- 0 0 0 -3,-2.3 4,-2.2 1,-0.1 3,-0.5 -0.378 79.4-122.4 -65.5 143.7 -2.6 -13.4 19.8 90 118 A I T 4 S+ 0 0 9 1,-0.2 -1,-0.1 2,-0.2 12,-0.1 0.848 109.4 48.6 -59.1 -38.7 -4.9 -12.5 16.9 91 119 A S T 4 S+ 0 0 44 1,-0.2 -14,-0.3 161,-0.1 -1,-0.2 0.805 117.0 42.3 -73.8 -27.5 -7.8 -11.3 19.1 92 120 A I T 4 S+ 0 0 32 -3,-0.5 -2,-0.2 -6,-0.3 -1,-0.2 0.744 94.6 103.5 -83.9 -26.7 -5.6 -9.2 21.3 93 121 A A < - 0 0 3 -4,-2.2 2,-0.3 -7,-0.1 -16,-0.2 -0.226 57.2-149.2 -70.7 149.4 -3.5 -7.7 18.5 94 122 A E >> - 0 0 86 -7,-0.2 4,-1.9 -18,-0.1 3,-0.9 -0.750 43.0 -29.1-116.8 155.7 -4.0 -4.2 17.2 95 123 A D H >> S- 0 0 60 -2,-0.3 4,-2.1 1,-0.2 3,-0.6 0.090 121.8 -3.1 47.9-140.2 -3.7 -2.3 13.9 96 124 A E H 3> S+ 0 0 136 1,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.758 132.3 58.2 -59.7 -30.3 -1.1 -3.5 11.3 97 125 A E H <> S+ 0 0 119 -3,-0.9 4,-2.4 2,-0.2 -1,-0.3 0.925 110.1 44.5 -64.7 -43.4 0.2 -6.2 13.6 98 126 A W H X S+ 0 0 40 -4,-2.7 4,-1.2 2,-0.2 3,-1.1 0.896 109.5 50.0 -69.5 -41.4 -5.0 -12.2 10.3 103 131 A S H 3< S+ 0 0 71 -4,-2.3 3,-0.3 1,-0.3 -2,-0.2 0.893 109.4 52.0 -65.1 -38.2 -3.5 -12.6 6.9 104 132 A L T 3< S+ 0 0 30 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.536 112.8 46.1 -72.6 -9.4 -1.2 -15.4 8.1 105 133 A L T X4 S+ 0 0 1 -3,-1.1 3,-0.7 -4,-0.3 4,-0.2 0.558 87.6 81.9-116.0 -14.4 -4.1 -17.3 9.6 106 134 A S G >X S+ 0 0 55 -4,-1.2 3,-4.0 -3,-0.3 4,-0.7 0.962 87.0 58.3 -52.9 -54.4 -6.7 -17.2 6.9 107 135 A P G 34 S+ 0 0 76 0, 0.0 3,-0.3 0, 0.0 -1,-0.2 0.750 102.1 58.0 -54.7 -20.8 -5.2 -20.1 5.0 108 136 A T G <4 S+ 0 0 4 -3,-0.7 -2,-0.2 1,-0.2 124,-0.1 0.532 108.4 45.4 -82.8 -6.7 -5.7 -22.1 8.2 109 137 A F T <4 S+ 0 0 23 -3,-4.0 -1,-0.2 -4,-0.2 291,-0.1 0.382 78.1 125.1-123.7 5.0 -9.5 -21.5 8.2 110 138 A T S X S- 0 0 57 -4,-0.7 4,-1.6 -3,-0.3 2,-0.4 -0.281 71.1-107.0 -57.7 143.5 -10.5 -22.1 4.6 111 139 A S T 4 S+ 0 0 58 2,-0.2 2,-0.2 1,-0.2 -1,-0.1 -0.655 113.7 44.9 -66.9 131.7 -13.3 -24.6 3.9 112 140 A G T > S+ 0 0 32 -2,-0.4 4,-2.6 -3,-0.1 -1,-0.2 -0.609 109.0 54.6 120.1 -68.3 -11.3 -27.5 2.5 113 141 A K T 4 S+ 0 0 89 -2,-0.2 -2,-0.2 1,-0.2 119,-0.1 0.832 112.5 48.4 -58.8 -31.4 -8.6 -27.3 5.1 114 142 A L T >X S+ 0 0 11 -4,-1.6 3,-1.7 2,-0.2 4,-1.0 0.835 106.9 53.1 -72.3 -39.6 -11.7 -27.6 7.3 115 143 A K T 34 S+ 0 0 94 1,-0.3 3,-0.5 2,-0.2 -2,-0.2 0.879 102.5 59.8 -62.3 -36.8 -13.0 -30.6 5.3 116 144 A E T 3< S+ 0 0 156 -4,-2.6 -1,-0.3 1,-0.2 4,-0.2 0.463 107.7 49.0 -66.5 -1.6 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0.811 103.8 48.4 -68.8 -33.3 -5.7 -29.9 34.3 177 206 A N H <> S+ 0 0 30 -3,-0.7 4,-1.6 -4,-0.3 -1,-0.2 0.882 110.7 52.1 -69.6 -38.9 -3.7 -27.0 32.8 178 207 A T H X S+ 0 0 2 -4,-1.4 4,-1.9 1,-0.2 -2,-0.2 0.917 109.6 49.2 -63.3 -44.8 -6.5 -26.3 30.3 179 208 A K H X S+ 0 0 132 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.870 112.4 48.4 -58.2 -39.6 -9.0 -26.1 33.2 180 209 A K H < S+ 0 0 116 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.751 110.2 52.7 -77.1 -25.4 -6.7 -23.8 35.1 181 210 A L H < S+ 0 0 0 -4,-1.6 -2,-0.2 -3,-0.1 -1,-0.2 0.899 107.3 49.5 -73.7 -43.5 -6.1 -21.5 32.1 182 211 A L H < S+ 0 0 34 -4,-1.9 2,-0.7 1,-0.2 -2,-0.2 0.870 110.3 47.0 -70.1 -43.4 -9.8 -20.9 31.3 183 212 A R < 0 0 168 -4,-1.3 -1,-0.2 1,-0.1 0, 0.0 -0.916 360.0 360.0-106.2 112.0 -11.1 -19.9 34.7 184 213 A F 0 0 132 -2,-0.7 -1,-0.1 -3,-0.1 -2,-0.1 0.744 360.0 360.0 -72.4 360.0 -8.8 -17.3 36.4 185 ! 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 0.0 186 219 A F > 0 0 127 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -58.5 -9.5 -7.0 40.1 187 220 A F H > + 0 0 97 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.833 360.0 54.4 -71.9 -35.0 -11.2 -6.9 36.7 188 221 A L H >> S+ 0 0 120 1,-0.2 4,-1.4 2,-0.2 3,-0.6 0.963 111.1 47.0 -54.5 -52.0 -13.8 -4.6 38.4 189 222 A S H 3> S+ 0 0 51 1,-0.2 4,-3.2 2,-0.2 -2,-0.2 0.862 103.9 60.2 -58.5 -42.0 -10.8 -2.5 39.4 190 223 A I H 3< S+ 0 0 24 -4,-2.2 -1,-0.2 1,-0.2 6,-0.2 0.828 104.9 50.7 -57.5 -34.2 -9.2 -2.6 35.9 191 224 A T H << S+ 0 0 48 -4,-1.4 -141,-0.8 -3,-0.6 -140,-0.3 0.857 113.0 44.3 -71.6 -39.4 -12.4 -0.9 34.5 192 225 A V H < S+ 0 0 16 -4,-1.4 -2,-0.2 1,-0.3 3,-0.2 0.931 126.7 31.5 -70.0 -44.5 -12.3 1.9 37.1 193 226 A F >< + 0 0 61 -4,-3.2 3,-1.3 1,-0.2 -1,-0.3 -0.760 55.0 157.8-117.4 84.4 -8.5 2.3 36.6 194 227 A P T > S+ 0 0 66 0, 0.0 3,-1.2 0, 0.0 -1,-0.2 0.703 79.9 70.9 -71.8 -15.2 -7.3 1.6 33.1 195 228 A F T 3> S+ 0 0 132 1,-0.2 4,-0.5 -3,-0.2 -2,-0.1 0.563 88.4 62.8 -70.1 -9.8 -4.4 3.8 34.3 196 229 A L H <> S+ 0 0 59 -3,-1.3 4,-0.8 -6,-0.2 -1,-0.2 0.564 85.5 75.5 -89.4 -10.7 -3.5 0.9 36.5 197 230 A I H X> S+ 0 0 29 -3,-1.2 4,-1.6 2,-0.2 3,-0.7 0.920 95.9 44.6 -68.7 -47.1 -2.8 -1.3 33.5 198 231 A P H 3> S+ 0 0 86 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.890 108.9 59.9 -62.6 -36.4 0.5 0.3 32.5 199 232 A I H 3X S+ 0 0 97 -4,-0.5 4,-0.5 1,-0.2 -2,-0.2 0.757 110.1 42.6 -58.6 -26.5 1.5 0.2 36.2 200 233 A L H <<>S+ 0 0 32 -4,-0.8 5,-2.0 -3,-0.7 -1,-0.2 0.761 106.2 57.9 -94.5 -29.1 1.1 -3.6 36.1 201 234 A E H ><5S+ 0 0 89 -4,-1.6 3,-0.9 1,-0.2 -2,-0.2 0.801 101.2 58.2 -75.2 -28.3 2.8 -4.4 32.8 202 235 A V H 3<5S+ 0 0 113 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.924 105.2 51.3 -60.3 -42.4 6.0 -2.8 34.0 203 236 A L T 3<5S- 0 0 111 -4,-0.5 -1,-0.2 -5,-0.2 -2,-0.2 0.505 116.0-116.4 -73.8 -3.4 5.9 -5.3 36.9 204 237 A N T < 5 + 0 0 126 -3,-0.9 2,-0.4 1,-0.3 -3,-0.2 0.637 61.0 157.2 67.2 17.6 5.5 -8.3 34.5 205 238 A I < - 0 0 77 -5,-2.0 2,-0.4 -121,-0.0 -1,-0.3 -0.627 18.6-176.1 -71.1 126.1 2.0 -8.9 36.1 206 239 A C - 0 0 39 -2,-0.4 -123,-0.2 -123,-0.1 4,-0.2 -0.976 34.6-138.0-135.6 140.7 -0.0 -10.8 33.5 207 240 A V S S+ 0 0 18 -125,-3.3 -124,-0.1 -2,-0.4 -1,-0.1 0.741 91.8 71.5 -73.5 -23.9 -3.6 -12.1 33.5 208 241 A F S S- 0 0 8 -126,-0.3 2,-0.2 1,-0.0 -2,-0.1 -0.851 98.6-111.2 -92.4 125.3 -2.7 -15.4 32.0 209 242 A P > - 0 0 45 0, 0.0 4,-2.1 0, 0.0 3,-0.4 -0.362 16.8-142.5 -67.0 125.6 -0.8 -17.6 34.6 210 243 A R H > S+ 0 0 179 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.838 96.4 59.9 -55.5 -41.6 2.9 -18.1 33.7 211 244 A E H > S+ 0 0 144 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.932 111.4 39.7 -51.4 -52.1 3.0 -21.7 35.0 212 245 A V H > S+ 0 0 1 -3,-0.4 4,-2.9 2,-0.2 5,-0.2 0.939 113.5 51.7 -67.4 -52.0 0.3 -22.8 32.5 213 246 A T H X S+ 0 0 3 -4,-2.1 4,-2.8 1,-0.2 -1,-0.2 0.912 111.7 49.7 -51.9 -46.9 1.5 -20.8 29.5 214 247 A N H X S+ 0 0 76 -4,-2.6 4,-3.1 2,-0.2 5,-0.2 0.946 110.1 49.5 -53.8 -54.9 5.0 -22.2 30.1 215 248 A F H X S+ 0 0 70 -4,-2.3 4,-3.0 1,-0.2 -2,-0.2 0.903 115.2 45.0 -50.3 -46.9 3.6 -25.8 30.2 216 249 A L H X S+ 0 0 2 -4,-2.9 4,-1.1 2,-0.2 -1,-0.2 0.840 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231 B P H > S+ 0 0 88 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.822 109.8 50.2 -43.9 -40.3 -2.4 -8.3 -33.0 651 232 B I H X S+ 0 0 84 -4,-0.6 4,-1.7 -3,-0.3 -2,-0.2 0.974 111.7 45.9 -63.3 -54.3 -2.7 -8.9 -36.7 652 233 B L H <>S+ 0 0 24 -4,-2.0 5,-1.9 1,-0.2 -1,-0.2 0.889 112.9 50.8 -57.4 -42.0 -1.9 -12.7 -36.4 653 234 B E H ><5S+ 0 0 70 -4,-2.9 3,-1.4 1,-0.2 -1,-0.2 0.914 110.2 48.4 -63.6 -43.3 -4.4 -13.0 -33.4 654 235 B V H 3<5S+ 0 0 117 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.772 112.2 51.4 -65.7 -24.5 -7.1 -11.2 -35.4 655 236 B L T 3<5S- 0 0 110 -4,-1.7 -1,-0.3 2,-0.1 -2,-0.2 0.339 111.2-124.0 -91.6 2.4 -6.3 -13.6 -38.3 656 237 B N T < 5 + 0 0 103 -3,-1.4 2,-0.6 1,-0.2 -3,-0.2 0.691 57.2 151.5 53.7 25.3 -6.6 -16.7 -36.0 657 238 B I < - 0 0 76 -5,-1.9 2,-0.4 -6,-0.2 -1,-0.2 -0.765 24.3-172.2 -73.8 121.3 -3.1 -17.9 -36.8 658 239 B C - 0 0 29 -2,-0.6 -121,-0.2 -3,-0.1 4,-0.2 -0.982 33.3-137.2-119.4 136.9 -1.9 -19.7 -33.7 659 240 B V S S+ 0 0 42 -123,-3.0 -122,-0.1 -2,-0.4 -1,-0.1 0.497 95.7 80.3 -67.3 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0.993 105.4 43.6 -59.4 -63.4 -9.3 -32.0 -27.8 670 251 B K H 3X S+ 0 0 128 -4,-1.2 4,-4.1 1,-0.3 5,-0.2 0.805 105.9 62.8 -53.6 -37.3 -11.5 -34.8 -29.0 671 252 B S H 3X S+ 0 0 14 -4,-2.0 4,-1.5 1,-0.2 -1,-0.3 0.849 109.5 40.3 -58.4 -37.2 -9.2 -37.5 -27.5 672 253 B V H < S+ 0 0 54 -4,-1.5 3,-0.7 -5,-0.2 -2,-0.2 0.678 104.3 66.3 -93.1 -19.1 -12.2 -40.7 -23.2 676 257 B K H >< S+ 0 0 50 -4,-2.0 3,-1.4 1,-0.2 -1,-0.2 0.865 92.9 68.8 -58.3 -38.2 -13.6 -38.5 -20.4 677 258 B E T 3< S+ 0 0 157 -4,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.757 73.4 88.5 -50.1 -33.5 -16.9 -40.1 -21.4 678 259 B S T < 0 0 83 -3,-0.7 -1,-0.2 -4,-0.2 -2,-0.1 0.672 360.0 360.0 -46.6 -29.4 -15.8 -43.5 -20.0 679 260 B R < 0 0 234 -3,-1.4 -1,-0.1 -4,-0.2 -4,-0.0 -0.980 360.0 360.0-130.0 360.0 -17.1 -42.7 -16.5 680 ! 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 0.0 681 271 B F >> 0 0 14 0, 0.0 4,-2.1 0, 0.0 3,-1.9 0.000 360.0 360.0 360.0 -41.6 -2.6 -36.4 -14.0 682 272 B L H 3> + 0 0 8 -69,-1.1 4,-2.1 1,-0.3 5,-0.2 0.848 360.0 61.2 -54.7 -35.7 -5.8 -36.4 -16.1 683 273 B Q H 34 S+ 0 0 117 -70,-0.3 4,-0.4 1,-0.2 -1,-0.3 0.665 113.7 34.9 -64.7 -19.2 -6.9 -39.0 -13.5 684 274 B L H <4 S+ 0 0 41 -3,-1.9 -2,-0.3 2,-0.1 -1,-0.2 0.573 111.4 62.1-104.9 -19.6 -6.5 -36.2 -10.9 685 275 B M H < S+ 0 0 3 -4,-2.1 3,-0.4 2,-0.2 -2,-0.2 0.797 104.5 48.5 -76.3 -30.3 -7.6 -33.4 -13.2 686 276 B I S >< S+ 0 0 50 -4,-2.1 3,-1.0 1,-0.2 -1,-0.2 0.922 104.8 58.2 -69.3 -47.7 -11.0 -35.0 -13.6 687 277 B D T 3 S+ 0 0 118 -4,-0.4 -1,-0.2 1,-0.3 -2,-0.2 0.510 91.0 74.4 -62.9 -5.4 -11.4 -35.4 -9.8 688 278 B S T 3 0 0 47 -3,-0.4 -1,-0.3 -4,-0.1 6,-0.1 -0.004 360.0 360.0 -95.2 26.2 -10.9 -31.7 -9.6 689 279 B Q < 0 0 113 -3,-1.0 -2,-0.2 4,-0.1 -3,-0.1 0.487 360.0 360.0-136.6 360.0 -14.5 -31.2 -10.8 690 ! 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 0.0 691 287 B H 0 0 153 0, 0.0 2,-0.4 0, 0.0 -137,-0.0 0.000 360.0 360.0 360.0 -61.0 -12.9 -19.6 -4.1 692 288 B K - 0 0 96 -138,-0.1 2,-0.1 -135,-0.0 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