==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 20-SEP-07 2RCL . COMPND 2 MOLECULE: CYTOCHROME P450 74A; . SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA; . AUTHOR D.S.LEE,P.NIOCHE,C.S.RAMAN . 930 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39607.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 674 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 71 7.6 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 . 0 0.0 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 . 1 0.1 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 . 39 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 116 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 381 41.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 25 2.7 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 3 2 0 2 1 1 2 2 6 2 1 1 3 3 2 0 0 0 1 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 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 . 0 4 0 2 4 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 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 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 52 A L 0 0 104 0, 0.0 2,-0.2 0, 0.0 354,-0.2 0.000 360.0 360.0 360.0 149.8 -28.5 44.3 36.5 2 53 A P - 0 0 84 0, 0.0 354,-2.3 0, 0.0 2,-0.4 -0.496 360.0-120.4 -68.0 136.0 -30.5 43.9 33.3 3 54 A I E -a 356 0A 101 352,-0.2 2,-0.4 -2,-0.2 354,-0.2 -0.649 36.4-166.4 -71.7 128.3 -30.4 40.4 31.8 4 55 A R E -a 357 0A 92 352,-2.9 354,-0.5 -2,-0.4 2,-0.3 -0.918 25.1-112.4-119.4 149.0 -29.0 40.6 28.2 5 56 A N - 0 0 143 -2,-0.4 352,-0.0 352,-0.1 0, 0.0 -0.627 43.8-108.4 -68.9 132.9 -28.9 38.2 25.4 6 57 A I - 0 0 7 -2,-0.3 40,-0.2 352,-0.2 -1,-0.1 -0.553 40.4-141.7 -64.5 116.2 -25.3 37.1 24.8 7 58 A P + 0 0 21 0, 0.0 40,-3.2 0, 0.0 2,-0.1 -0.212 52.6 64.9 -74.2 171.4 -24.2 38.7 21.6 8 59 A G - 0 0 19 38,-0.2 2,-0.3 33,-0.0 40,-0.2 -0.064 57.7-131.0 103.3 157.4 -22.0 37.3 18.8 9 60 A N - 0 0 105 38,-0.4 40,-0.3 -2,-0.1 3,-0.1 -0.942 14.1-133.0-142.1 171.4 -22.4 34.4 16.4 10 61 A Y - 0 0 35 1,-0.3 10,-0.1 -2,-0.3 6,-0.1 0.426 44.6-142.7-103.5 -0.2 -20.4 31.4 15.2 11 62 A G - 0 0 44 5,-0.1 -1,-0.3 4,-0.1 3,-0.1 -0.218 49.0 -23.7 67.7-162.7 -21.1 32.0 11.6 12 63 A L S > S- 0 0 134 1,-0.1 4,-3.0 -3,-0.1 -3,-0.0 -0.472 83.4 -83.4 -79.9 152.4 -21.6 29.2 9.2 13 64 A P T 4 S- 0 0 102 0, 0.0 2,-3.1 0, 0.0 -1,-0.1 -0.234 108.6 -5.4 -46.6 140.9 -20.2 25.6 9.9 14 65 A I T > S+ 0 0 141 1,-0.2 4,-1.4 -3,-0.1 40,-0.1 -0.301 134.2 59.2 65.2 -60.0 -16.6 25.2 8.9 15 66 A V H > S+ 0 0 99 -2,-3.1 4,-1.9 2,-0.2 -1,-0.2 0.813 98.9 56.5 -71.5 -31.8 -16.3 28.7 7.3 16 67 A G H X S+ 0 0 10 -4,-3.0 4,-2.2 1,-0.2 5,-0.2 0.990 110.1 42.5 -62.4 -63.9 -17.2 30.6 10.5 17 68 A P H > S+ 0 0 24 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.779 112.4 55.2 -49.4 -35.6 -14.4 29.2 12.6 18 69 A I H X S+ 0 0 45 -4,-1.4 4,-2.7 2,-0.2 5,-0.2 0.948 109.3 45.3 -70.8 -47.0 -11.8 29.5 9.8 19 70 A K H X S+ 0 0 119 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.888 114.0 49.7 -59.6 -42.3 -12.5 33.2 9.3 20 71 A D H X S+ 0 0 22 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.886 110.9 51.1 -62.9 -38.0 -12.4 33.7 13.1 21 72 A R H X S+ 0 0 11 -4,-2.2 4,-2.4 2,-0.2 5,-0.3 0.874 108.8 49.5 -66.7 -41.9 -9.1 31.7 13.2 22 73 A W H X>S+ 0 0 100 -4,-2.7 4,-2.5 2,-0.2 5,-2.3 0.898 112.2 49.8 -60.8 -41.3 -7.5 33.9 10.4 23 74 A D H <>S+ 0 0 17 -4,-2.1 6,-2.2 3,-0.2 5,-2.1 0.955 112.4 47.4 -58.8 -50.2 -8.6 37.0 12.4 24 75 A Y H <5S+ 0 0 36 -4,-2.4 6,-0.3 4,-0.2 -2,-0.2 0.874 126.2 25.0 -62.5 -42.5 -7.1 35.5 15.5 25 76 A F H <5S+ 0 0 27 -4,-2.4 -3,-0.2 4,-0.2 -2,-0.2 0.859 135.9 8.3 -91.6 -42.0 -3.7 34.6 14.0 26 77 A Y T <5S+ 0 0 50 -4,-2.5 -3,-0.2 -5,-0.3 -4,-0.1 0.885 121.4 39.8-112.0 -50.5 -3.1 36.8 11.0 27 78 A D T - 0 0 24 -6,-2.2 4,-2.5 -7,-0.2 -4,-0.2 -0.049 41.8 -70.1 85.1 162.8 -4.1 39.2 16.3 30 81 A A H > S+ 0 0 24 -6,-0.3 4,-2.2 1,-0.2 5,-0.2 0.878 128.0 47.7 -64.4 -45.2 -5.5 38.1 19.7 31 82 A E H > S+ 0 0 55 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.970 119.3 38.3 -62.0 -53.3 -5.8 41.5 21.4 32 83 A E H > S+ 0 0 54 -4,-0.4 4,-2.9 1,-0.2 5,-0.3 0.812 111.2 61.9 -67.9 -29.6 -7.5 43.3 18.5 33 84 A F H X S+ 0 0 0 -4,-2.5 4,-0.9 2,-0.2 -1,-0.2 0.927 112.8 36.5 -55.9 -47.7 -9.5 40.1 17.8 34 85 A F H X S+ 0 0 0 -4,-2.2 4,-1.4 -5,-0.2 -2,-0.2 0.886 120.1 46.8 -77.1 -38.7 -11.1 40.4 21.2 35 86 A K H X S+ 0 0 43 -4,-2.7 4,-2.2 -5,-0.2 5,-0.2 0.856 104.7 57.6 -75.2 -37.3 -11.4 44.2 21.3 36 87 A S H X S+ 0 0 19 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.909 111.0 46.1 -58.8 -37.1 -12.8 44.7 17.9 37 88 A R H X S+ 0 0 23 -4,-0.9 4,-2.7 -5,-0.3 5,-0.3 0.816 106.4 56.9 -77.3 -30.2 -15.7 42.4 18.9 38 89 A I H X>S+ 0 0 34 -4,-1.4 4,-1.4 2,-0.2 5,-1.2 0.918 112.1 44.2 -59.2 -43.3 -16.2 44.1 22.3 39 90 A R H <5S+ 0 0 151 -4,-2.2 -2,-0.2 3,-0.2 -1,-0.2 0.942 115.3 47.1 -67.2 -47.2 -16.7 47.3 20.3 40 91 A K H <5S+ 0 0 169 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.947 122.7 33.0 -57.9 -54.3 -19.0 45.7 17.7 41 92 A Y H <5S- 0 0 45 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.647 98.9-134.1 -79.8 -14.9 -21.2 43.9 20.2 42 93 A N T <5S+ 0 0 130 -4,-1.4 2,-0.3 -5,-0.3 -3,-0.2 0.936 72.3 105.0 57.0 46.6 -20.9 46.6 22.9 43 94 A S < - 0 0 7 -5,-1.2 -1,-0.2 -6,-0.3 -2,-0.2 -0.981 67.3-151.3-155.8 142.0 -20.3 43.8 25.3 44 95 A T S S+ 0 0 37 -2,-0.3 22,-2.3 1,-0.1 2,-0.4 0.305 93.8 63.4 -94.3 4.8 -17.4 42.3 27.2 45 96 A V E S+C 65 0B 1 20,-0.2 2,-0.3 21,-0.1 20,-0.2 -0.987 72.0 133.8-128.6 118.6 -19.3 39.0 27.2 46 97 A Y E -C 64 0B 0 18,-1.3 18,-2.9 -2,-0.4 2,-0.3 -0.990 53.2 -93.9-159.3 165.6 -20.0 37.4 23.8 47 98 A R E +C 63 0B 60 -40,-3.2 -38,-0.4 -2,-0.3 2,-0.3 -0.647 48.2 155.1 -86.0 135.2 -20.0 34.3 21.6 48 99 A V E -C 62 0B 2 14,-1.9 14,-2.2 -2,-0.3 2,-0.3 -0.986 42.1-113.2-156.5 147.2 -16.9 33.6 19.5 49 100 A N E -C 61 0B 2 -2,-0.3 12,-0.2 -40,-0.3 -40,-0.0 -0.702 33.2-157.8 -79.2 141.6 -15.1 30.6 17.8 50 101 A M - 0 0 7 10,-2.2 3,-0.2 -2,-0.3 -29,-0.1 -0.888 26.0 -69.7-116.9 147.1 -11.7 29.9 19.3 51 102 A P S S+ 0 0 4 0, 0.0 38,-0.4 0, 0.0 39,-0.1 -0.375 97.5 38.2 -63.3 159.2 -8.8 28.0 17.6 52 103 A P + 0 0 1 0, 0.0 3,-0.1 0, 0.0 4,-0.1 -0.960 65.0 138.3 -87.0 -26.1 -7.9 25.3 16.7 53 104 A G >> + 0 0 4 -3,-0.2 4,-2.3 1,-0.1 3,-1.6 -0.386 41.8 91.0 54.2-129.1 -11.2 24.0 15.4 54 105 A A T 34 S- 0 0 42 1,-0.3 165,-0.1 2,-0.2 -1,-0.1 -0.151 115.7 -34.2 40.9-130.5 -10.4 22.2 12.1 55 106 A F T 34 S+ 0 0 160 164,-1.8 -1,-0.3 1,-0.1 166,-0.1 0.388 135.7 65.1 -97.9 2.3 -9.8 18.5 12.8 56 107 A I T <4 S+ 0 0 25 -3,-1.6 2,-0.4 162,-0.2 35,-0.3 0.866 100.7 42.1 -94.8 -45.4 -8.2 19.1 16.2 57 108 A A < - 0 0 8 -4,-2.3 33,-0.2 33,-0.1 -1,-0.2 -0.869 64.6-153.2-101.4 140.3 -11.0 20.5 18.3 58 109 A E S S+ 0 0 197 31,-0.6 -1,-0.1 -2,-0.4 32,-0.1 0.818 87.9 24.7 -76.8 -32.1 -14.6 19.0 18.0 59 110 A N + 0 0 84 30,-0.5 -1,-0.3 1,-0.1 -6,-0.1 -0.891 53.2 178.9-143.1 108.5 -16.2 22.3 19.1 60 111 A P + 0 0 15 0, 0.0 -10,-2.2 0, 0.0 2,-0.4 0.517 51.0 116.8 -82.8 -6.1 -14.7 25.8 18.7 61 112 A Q E +C 49 0B 83 -12,-0.2 303,-0.4 28,-0.1 2,-0.3 -0.492 37.5 155.6 -72.7 121.2 -17.7 27.6 20.1 62 113 A V E -C 48 0B 1 -14,-2.2 -14,-1.9 -2,-0.4 2,-0.5 -0.900 44.2-123.9-133.3 168.0 -17.2 29.5 23.4 63 114 A V E -Cd 47 365B 0 301,-2.3 303,-2.8 -2,-0.3 2,-0.3 -0.986 34.5-144.3-108.6 118.3 -18.6 32.3 25.5 64 115 A A E -Cd 46 366B 0 -18,-2.9 -18,-1.3 -2,-0.5 2,-0.5 -0.646 9.2-160.1 -85.3 135.6 -15.8 34.8 26.1 65 116 A L E +Cd 45 367B 0 301,-2.6 303,-0.8 -2,-0.3 -20,-0.2 -0.978 17.4 170.0-119.2 114.9 -15.5 36.7 29.4 66 117 A L + 0 0 4 -22,-2.3 2,-0.3 -2,-0.5 -21,-0.1 -0.164 46.5 67.2-133.3 39.9 -13.5 39.8 28.9 67 118 A D S > S- 0 0 1 308,-0.1 4,-1.9 -23,-0.1 305,-0.3 -0.944 82.3-111.6-151.4 164.9 -13.7 41.9 32.0 68 119 A G T 4 S+ 0 0 4 303,-0.3 304,-0.1 -2,-0.3 284,-0.0 0.392 111.3 56.7 -85.8 1.9 -12.6 41.4 35.6 69 120 A K T 4 S+ 0 0 88 2,-0.1 282,-0.2 3,-0.0 -1,-0.2 0.825 116.4 30.2 -94.9 -41.3 -16.0 41.1 37.0 70 121 A S T >4 S+ 0 0 1 1,-0.1 3,-1.8 2,-0.1 4,-0.3 0.824 107.1 72.1 -85.6 -38.1 -17.3 38.1 34.9 71 122 A F G >< S+ 0 0 0 -4,-1.9 3,-2.7 1,-0.3 4,-0.2 0.853 82.1 69.8 -46.6 -48.1 -13.9 36.4 34.4 72 123 A P G >> S+ 0 0 45 0, 0.0 3,-2.2 0, 0.0 4,-0.6 0.656 77.4 81.1 -53.5 -15.2 -13.5 35.1 38.0 73 124 A V G X4 S+ 0 0 17 -3,-1.8 3,-1.2 1,-0.3 7,-0.2 0.852 81.5 68.2 -53.0 -33.3 -16.4 32.6 37.3 74 125 A L G <4 S+ 0 0 1 -3,-2.7 -1,-0.3 -4,-0.3 267,-0.1 0.588 96.3 51.5 -64.4 -12.4 -13.6 30.6 35.7 75 126 A F G <4 S+ 0 0 33 -3,-2.2 2,-0.9 -4,-0.2 343,-0.3 0.659 85.7 99.7 -92.9 -20.3 -12.0 30.0 39.2 76 127 A D XX - 0 0 56 -3,-1.2 4,-2.6 -4,-0.6 3,-1.5 -0.583 50.3-173.2 -82.6 103.9 -15.2 28.8 40.7 77 128 A V T 34 S+ 0 0 30 -2,-0.9 -1,-0.2 1,-0.3 5,-0.1 0.708 84.1 62.3 -72.9 -22.1 -15.1 25.0 40.8 78 129 A D T 34 S+ 0 0 121 1,-0.1 -1,-0.3 3,-0.1 3,-0.1 0.620 116.4 33.7 -69.3 -12.3 -18.8 24.8 42.0 79 130 A K T <4 S+ 0 0 67 -3,-1.5 266,-3.1 1,-0.3 267,-0.6 0.740 119.4 40.9-116.7 -37.5 -19.6 26.5 38.7 80 131 A V E < -E 344 0B 0 -4,-2.6 2,-0.3 264,-0.3 -1,-0.3 -0.931 67.8-134.7-118.9 144.1 -17.1 25.2 36.1 81 132 A E E -E 343 0B 68 262,-3.1 262,-1.9 -2,-0.4 -3,-0.1 -0.723 11.3-162.8 -85.1 143.1 -15.6 21.8 35.4 82 133 A K + 0 0 17 -2,-0.3 2,-0.5 260,-0.2 3,-0.2 -0.339 39.8 133.8-122.1 48.7 -11.9 21.9 34.8 83 134 A K S S- 0 0 76 1,-0.2 23,-0.2 23,-0.1 22,-0.1 -0.897 78.0 -17.6-108.3 123.5 -11.4 18.5 33.1 84 135 A D S S+ 0 0 46 21,-2.8 -1,-0.2 -2,-0.5 21,-0.1 0.717 106.6 100.6 62.5 29.7 -9.3 18.1 30.0 85 136 A L > + 0 0 6 19,-0.2 3,-1.3 -3,-0.2 256,-0.3 0.136 30.9 116.6-134.2 18.7 -9.3 21.9 29.0 86 137 A F T 3 S+ 0 0 71 1,-0.3 3,-0.1 -4,-0.1 -1,-0.1 0.889 94.2 33.7 -49.2 -41.1 -5.9 23.1 30.2 87 138 A T T 3 S- 0 0 8 3,-0.3 2,-0.4 1,-0.3 -1,-0.3 0.255 119.9-117.9-104.0 11.4 -5.2 23.8 26.5 88 139 A G S < S+ 0 0 1 -3,-1.3 -1,-0.3 1,-0.2 253,-0.0 -0.759 75.2 3.4 100.4-137.4 -8.8 24.8 25.6 89 140 A T S S+ 0 0 23 -38,-0.4 -31,-0.6 -2,-0.4 -30,-0.5 0.487 128.1 42.3 -74.3 -7.7 -11.3 23.2 23.2 90 141 A Y S S- 0 0 14 -3,-0.3 -3,-0.3 -33,-0.2 -33,-0.1 -0.894 73.3-142.5-130.1 164.3 -8.8 20.4 22.3 91 142 A M - 0 0 53 -35,-0.3 3,-0.1 -2,-0.3 -6,-0.1 -0.995 23.8-115.4-128.8 128.6 -6.5 18.2 24.5 92 143 A P - 0 0 10 0, 0.0 107,-0.1 0, 0.0 5,-0.1 -0.354 49.0 -88.9 -57.7 144.2 -3.0 17.0 23.4 93 144 A S > - 0 0 47 1,-0.1 3,-1.9 2,-0.1 4,-0.2 -0.209 23.5-129.8 -51.9 138.0 -2.7 13.3 23.1 94 145 A T G > >S+ 0 0 48 1,-0.3 5,-3.4 2,-0.2 3,-1.2 0.614 104.8 79.3 -65.6 -11.0 -1.8 11.3 26.2 95 146 A E G > 5S+ 0 0 128 1,-0.2 3,-0.8 3,-0.2 -1,-0.3 0.801 88.0 58.3 -59.4 -27.8 0.9 9.7 23.9 96 147 A L G < 5S+ 0 0 8 -3,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.632 110.5 40.4 -77.3 -15.3 2.7 12.9 24.6 97 148 A T G X 5S- 0 0 4 -3,-1.2 3,-1.4 -4,-0.2 -1,-0.2 -0.156 125.3 -86.0-130.4 36.9 2.7 12.4 28.3 98 149 A G T < 5S- 0 0 33 -3,-0.8 -3,-0.2 1,-0.3 3,-0.1 0.620 83.0 -61.8 71.7 16.3 3.4 8.6 28.8 99 150 A G T 3 - 0 0 2 -2,-1.0 3,-2.3 1,-0.1 4,-0.4 -0.193 20.5 -95.7 -68.0 159.0 -1.4 14.7 33.8 103 154 A L G > S+ 0 0 14 1,-0.3 3,-1.7 2,-0.2 14,-0.1 0.791 119.1 62.2 -44.2 -44.9 -2.3 16.9 36.8 104 155 A S G 3 S+ 0 0 19 1,-0.3 -1,-0.3 -21,-0.0 -19,-0.2 0.641 105.1 48.7 -61.2 -17.3 -3.1 20.1 34.8 105 156 A Y G < S+ 0 0 3 -3,-2.3 -21,-2.8 -21,-0.1 2,-0.4 0.455 91.2 100.8-100.4 -5.2 -5.9 18.2 33.0 106 157 A L < - 0 0 5 -3,-1.7 -23,-0.1 -4,-0.4 -4,-0.0 -0.663 68.8-129.6 -92.2 136.9 -7.6 16.8 36.1 107 158 A D > - 0 0 3 -2,-0.4 3,-2.6 1,-0.1 6,-0.3 -0.517 27.2-115.3 -72.6 144.7 -10.7 18.2 37.7 108 159 A P T 3 S+ 0 0 24 0, 0.0 6,-0.2 0, 0.0 -1,-0.1 0.732 115.3 67.4 -52.7 -22.6 -10.4 18.7 41.5 109 160 A S T 3 S+ 0 0 91 4,-0.1 307,-0.0 3,-0.0 3,-0.0 0.540 81.0 90.0 -77.6 -8.1 -13.2 16.1 41.8 110 161 A E S X> S- 0 0 42 -3,-2.6 3,-1.4 1,-0.1 4,-0.8 -0.806 79.0-139.2 -85.7 124.4 -10.7 13.4 40.5 111 162 A P H >> S+ 0 0 106 0, 0.0 4,-1.4 0, 0.0 3,-0.5 0.840 100.0 60.5 -53.1 -36.6 -8.8 11.9 43.5 112 163 A K H 3> S+ 0 0 92 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.740 92.9 67.2 -66.2 -21.8 -5.4 11.9 41.7 113 164 A H H <> S+ 0 0 3 -3,-1.4 4,-2.2 -6,-0.3 -1,-0.2 0.936 102.9 45.7 -60.0 -46.3 -5.7 15.7 41.4 114 165 A E H < S+ 0 0 32 -4,-2.5 3,-1.1 1,-0.2 4,-0.3 0.934 115.9 47.2 -72.4 -47.4 8.4 23.1 46.2 125 176 A K H >< S+ 0 0 121 -4,-2.7 3,-1.2 1,-0.3 -1,-0.2 0.873 109.7 53.7 -62.3 -40.8 8.5 23.1 50.0 126 177 A S T 3< S+ 0 0 31 -4,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.541 107.1 53.4 -73.7 -6.0 11.4 20.7 50.1 127 178 A S T X> S+ 0 0 0 -3,-1.1 3,-2.1 -4,-0.3 4,-1.4 0.396 74.9 108.4-104.1 0.4 13.4 22.9 47.7 128 179 A R T <4 S+ 0 0 143 -3,-1.2 4,-0.5 1,-0.3 -1,-0.1 0.761 78.2 48.5 -53.0 -33.7 13.1 26.1 49.9 129 180 A N T 34 S+ 0 0 142 -4,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.534 112.5 48.4 -89.3 -4.5 16.7 26.2 51.0 130 181 A R T <> S+ 0 0 65 -3,-2.1 4,-2.3 43,-0.2 5,-0.3 0.650 90.3 80.1-100.3 -20.3 18.2 25.6 47.6 131 182 A I H X S+ 0 0 8 -4,-1.4 4,-2.4 1,-0.2 5,-0.2 0.916 94.6 44.5 -58.0 -48.5 16.2 28.3 45.6 132 183 A F H > S+ 0 0 27 -4,-0.5 4,-2.4 2,-0.2 5,-0.2 0.958 117.8 38.6 -65.6 -58.6 18.3 31.3 46.7 133 184 A P H > S+ 0 0 67 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.863 119.1 49.0 -65.3 -32.1 21.8 30.0 46.3 134 185 A E H X S+ 0 0 45 -4,-2.3 4,-2.5 2,-0.2 5,-0.3 0.900 112.7 46.3 -71.1 -41.1 20.9 28.1 43.1 135 186 A F H X S+ 0 0 0 -4,-2.4 4,-2.8 -5,-0.3 5,-0.3 0.937 114.7 48.0 -62.9 -47.1 19.2 31.0 41.4 136 187 A Q H X S+ 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105.1 57.0 -62.7 -39.8 10.6 12.9 25.7 232 283 A Q H X S+ 0 0 74 -4,-1.6 4,-2.7 1,-0.2 -1,-0.2 0.820 102.7 55.3 -63.0 -35.1 12.3 9.6 26.8 233 284 A R H X S+ 0 0 85 -4,-1.2 4,-0.9 2,-0.2 -1,-0.2 0.870 112.5 42.3 -63.0 -40.3 15.6 11.5 27.3 234 285 A L H X S+ 0 0 0 -4,-1.2 4,-1.9 2,-0.2 3,-0.3 0.906 113.1 53.4 -72.5 -44.5 13.7 13.9 29.6 235 286 A Y H X S+ 0 0 20 -4,-3.0 4,-2.9 1,-0.2 -2,-0.2 0.929 106.6 50.9 -55.4 -51.0 11.8 11.1 31.3 236 287 A E H X S+ 0 0 79 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.788 108.3 54.9 -60.1 -28.6 15.1 9.2 32.1 237 288 A F H X S+ 0 0 10 -4,-0.9 4,-1.6 -3,-0.3 -1,-0.2 0.908 111.4 42.5 -71.4 -42.2 16.5 12.4 33.6 238 289 A F H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.893 112.5 54.2 -70.8 -39.7 13.6 12.8 36.0 239 290 A L H < S+ 0 0 35 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.923 117.5 36.1 -56.8 -44.6 13.5 9.1 36.8 240 291 A E H < S+ 0 0 125 -4,-1.8 3,-0.2 -5,-0.2 -1,-0.2 0.702 123.8 41.5 -85.6 -20.5 17.2 9.2 37.8 241 292 A S H < S+ 0 0 18 -4,-1.6 3,-0.3 1,-0.2 -2,-0.2 0.632 98.7 69.8-100.3 -18.8 17.2 12.7 39.4 242 293 A A X + 0 0 1 -4,-2.0 4,-2.0 1,-0.2 3,-0.4 0.047 58.6 132.1 -95.2 28.7 14.0 12.8 41.4 243 294 A G H > S+ 0 0 42 -3,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.857 71.6 42.0 -49.4 -58.2 14.9 10.3 44.1 244 295 A E H > S+ 0 0 116 -3,-0.3 4,-1.0 1,-0.2 -1,-0.2 0.839 116.4 50.1 -62.4 -33.9 13.9 12.2 47.3 245 296 A I H > S+ 0 0 2 -3,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.814 105.1 58.6 -73.6 -32.2 10.7 13.4 45.7 246 297 A L H X S+ 0 0 10 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.779 98.6 57.7 -70.0 -30.8 9.8 9.9 44.5 247 298 A V H X S+ 0 0 83 -4,-1.3 4,-2.1 2,-0.2 -1,-0.2 0.926 108.9 46.2 -61.7 -45.7 9.9 8.5 48.1 248 299 A E H X S+ 0 0 45 -4,-1.0 4,-2.5 2,-0.2 -2,-0.2 0.878 108.9 54.2 -66.0 -40.5 7.2 11.1 49.0 249 300 A A H <>S+ 0 0 1 -4,-2.0 5,-2.7 2,-0.2 4,-0.2 0.877 107.9 51.6 -52.6 -43.1 5.2 10.1 45.8 250 301 A D H ><5S+ 0 0 119 -4,-1.8 3,-1.0 3,-0.2 -2,-0.2 0.908 110.4 48.1 -60.1 -47.8 5.4 6.5 47.2 251 302 A K H 3<5S+ 0 0 162 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.848 108.8 53.0 -60.3 -38.9 4.0 7.8 50.5 252 303 A L T 3<5S- 0 0 43 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.508 120.8-111.1 -74.1 -4.5 1.2 9.7 48.8 253 304 A G T < 5S+ 0 0 43 -3,-1.0 2,-0.4 1,-0.3 -3,-0.2 0.931 70.8 139.4 69.4 47.5 0.3 6.5 47.0 254 305 A I < - 0 0 6 -5,-2.7 -1,-0.3 -8,-0.1 -2,-0.1 -0.980 56.2-112.0-118.8 134.9 1.4 7.5 43.5 255 306 A S > - 0 0 57 -2,-0.4 4,-2.7 1,-0.1 5,-0.2 -0.266 23.3-121.2 -60.2 150.6 3.2 5.1 41.2 256 307 A R H > S+ 0 0 139 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.876 114.2 52.0 -60.5 -34.9 6.8 6.0 40.4 257 308 A E H > S+ 0 0 102 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.913 111.6 43.5 -69.7 -45.3 5.9 6.1 36.7 258 309 A E H > S+ 0 0 10 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.922 113.1 52.2 -69.7 -43.3 3.0 8.5 37.2 259 310 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.918 110.7 49.7 -52.6 -46.0 5.0 10.7 39.6 260 311 A T H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.913 110.1 47.1 -68.3 -43.5 7.8 10.9 37.0 261 312 A H H X S+ 0 0 9 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.926 116.7 47.5 -62.2 -40.1 5.7 11.9 34.0 262 313 A N H X S+ 0 0 5 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.835 110.8 49.0 -68.8 -35.9 4.0 14.5 36.3 263 314 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 5,-0.3 0.913 111.8 50.8 -70.6 -41.7 7.3 15.8 37.7 264 315 A L H X S+ 0 0 0 -4,-2.6 4,-3.4 2,-0.2 5,-0.5 0.957 112.3 46.2 -54.7 -56.5 8.5 16.1 34.1 265 316 A F H X>S+ 0 0 1 -4,-2.6 4,-2.7 1,-0.2 5,-1.5 0.939 114.0 48.2 -53.6 -50.0 5.4 18.0 33.1 266 317 A A H <>S+ 0 0 5 -4,-2.5 5,-2.6 1,-0.2 -1,-0.2 0.869 119.8 37.4 -62.4 -38.8 5.5 20.3 36.1 267 318 A T H <>S+ 0 0 0 -4,-2.4 5,-2.5 3,-0.2 -1,-0.2 0.898 127.9 32.6 -78.7 -43.3 9.2 21.2 35.7 268 319 A C H <5S+ 0 0 0 -4,-3.4 5,-0.5 -5,-0.3 -3,-0.2 0.868 131.5 22.9 -87.2 -40.4 9.3 21.3 31.9 269 320 A F T <>S+ 0 0 22 -4,-2.7 5,-0.5 -5,-0.5 4,-0.5 0.928 130.1 32.2 -95.6 -63.1 5.9 22.6 30.9 270 321 A N T >5S+ 0 0 13 -4,-0.5 4,-1.3 -5,-0.5 -1,-0.2 0.899 112.9 46.8 -66.1 -42.5 7.6 27.1 29.9 274 325 A G H X S+ 0 0 8 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.872 114.4 50.8 -63.8 -34.4 11.8 38.0 28.6 281 332 A N H X S+ 0 0 12 -4,-1.2 4,-2.9 2,-0.2 -2,-0.2 0.883 108.9 51.4 -64.1 -42.9 8.5 39.9 29.0 282 333 A M H X S+ 0 0 1 -4,-2.7 4,-2.9 2,-0.2 5,-0.4 0.925 110.5 48.6 -56.0 -48.4 9.7 41.2 32.4 283 334 A V H X S+ 0 0 1 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.942 112.7 49.2 -59.9 -48.1 12.9 42.4 30.8 284 335 A K H X S+ 0 0 13 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.924 116.4 40.5 -53.2 -51.7 10.9 44.1 28.0 285 336 A R H X S+ 0 0 35 -4,-2.9 4,-1.1 2,-0.2 -2,-0.2 0.901 117.2 45.7 -71.1 -45.9 8.6 45.9 30.4 286 337 A I H X S+ 0 0 2 -4,-2.9 4,-0.6 2,-0.2 3,-0.4 0.898 112.9 53.4 -62.0 -39.0 11.1 46.9 33.0 287 338 A G H >< S+ 0 0 13 -4,-2.6 3,-1.1 -5,-0.4 -2,-0.2 0.914 108.7 48.8 -59.4 -45.7 13.4 48.0 30.2 288 339 A R H 3< S+ 0 0 51 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.724 95.5 73.7 -68.0 -21.5 10.6 50.2 28.8 289 340 A A H 3< S- 0 0 31 -4,-1.1 4,-0.3 -3,-0.4 -1,-0.2 0.712 102.9-129.4 -69.0 -21.4 9.9 51.7 32.2 290 341 A G XX - 0 0 24 -3,-1.1 4,-1.6 -4,-0.6 3,-0.5 -0.034 20.6 -67.1 97.3 165.6 13.1 53.7 31.8 291 342 A H H 3> S+ 0 0 88 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.739 122.3 60.1 -67.9 -30.9 16.4 54.5 33.7 292 343 A Q H 3> S+ 0 0 142 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.875 108.5 45.7 -64.0 -38.0 14.8 56.5 36.5 293 344 A V H <> S+ 0 0 18 -3,-0.5 4,-2.6 -4,-0.3 -2,-0.2 0.870 111.9 52.9 -69.0 -39.0 12.8 53.4 37.5 294 345 A H H X S+ 0 0 0 -4,-1.6 4,-2.8 1,-0.2 -2,-0.2 0.927 109.3 48.2 -63.0 -46.9 15.9 51.3 37.2 295 346 A N H X S+ 0 0 52 -4,-2.6 4,-3.0 2,-0.2 -1,-0.2 0.859 111.8 49.5 -59.9 -42.4 17.9 53.6 39.5 296 347 A R H X S+ 0 0 120 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.915 113.6 46.2 -63.3 -46.9 15.0 53.5 42.1 297 348 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 5,-0.3 0.908 113.5 50.0 -57.9 -44.7 14.9 49.7 41.9 298 349 A A H X S+ 0 0 4 -4,-2.8 4,-2.4 144,-0.3 5,-0.3 0.952 111.8 46.9 -62.9 -48.7 18.7 49.6 42.2 299 350 A E H X S+ 0 0 138 -4,-3.0 4,-2.2 2,-0.2 5,-0.2 0.903 114.7 47.5 -59.8 -44.2 18.7 51.9 45.2 300 351 A E H X S+ 0 0 37 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.966 114.1 44.2 -58.3 -56.4 15.9 50.0 47.0 301 352 A I H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.908 117.5 45.6 -59.2 -46.8 17.4 46.5 46.4 302 353 A R H X S+ 0 0 70 -4,-2.4 4,-2.5 -5,-0.3 -1,-0.2 0.905 114.3 47.0 -64.6 -47.9 20.9 47.5 47.4 303 354 A S H X S+ 0 0 73 -4,-2.2 4,-3.2 -5,-0.3 5,-0.2 0.967 114.3 47.3 -56.8 -54.5 19.9 49.5 50.5 304 355 A V H X S+ 0 0 7 -4,-2.8 4,-1.0 -5,-0.2 -2,-0.2 0.910 113.3 48.6 -57.2 -43.8 17.6 46.7 51.7 305 356 A I H <>S+ 0 0 13 -4,-2.5 5,-2.7 -5,-0.2 6,-0.3 0.884 112.8 47.9 -64.8 -38.2 20.4 44.1 51.0 306 357 A K H ><5S+ 0 0 178 -4,-2.5 3,-1.6 1,-0.2 -2,-0.2 0.887 108.5 53.8 -67.7 -42.4 22.9 46.3 52.9 307 358 A S H 3<5S+ 0 0 73 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.723 105.7 55.9 -59.5 -23.2 20.5 46.8 55.8 308 359 A N T ><5S- 0 0 55 -4,-1.0 3,-1.3 -5,-0.2 -1,-0.3 0.110 126.1-103.5 -96.5 16.4 20.3 42.9 55.9 309 360 A G T < 5S- 0 0 69 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.1 0.745 72.0 -60.2 66.2 25.2 24.1 42.7 56.3 310 361 A G T 3 - 0 0 55 -2,-0.6 4,-1.7 1,-0.1 -5,-0.0 -0.868 53.5-101.9-134.3 167.0 16.7 36.4 52.5 314 365 A M H > S+ 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-1,-0.3 -5,-0.3 -2,-0.2 -0.590 75.0-157.7-147.3 69.7 1.0 41.0 30.7 335 386 A P - 0 0 5 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.301 17.3-139.1 -54.1 130.3 -0.3 37.7 32.1 336 387 A P S S+ 0 0 17 0, 0.0 2,-0.6 0, 0.0 -5,-0.0 0.890 94.6 41.3 -64.9 -39.3 2.1 35.0 30.8 337 388 A V S S+ 0 0 76 67,-0.2 32,-0.1 1,-0.1 -63,-0.0 -0.941 70.2 177.3-110.7 115.2 -0.7 32.5 30.1 338 389 A T + 0 0 41 -2,-0.6 31,-2.9 1,-0.1 2,-0.7 0.692 51.1 80.2 -94.0 -20.8 -3.6 34.4 28.7 339 390 A A E + F 0 368B 30 29,-0.2 2,-0.4 30,-0.1 29,-0.2 -0.819 47.5 171.0-105.7 109.0 -6.2 31.6 28.0 340 391 A Q E - F 0 367B 13 27,-2.0 27,-2.8 -2,-0.7 2,-0.3 -0.961 9.5-172.0-117.1 133.7 -8.4 30.2 30.7 341 392 A Y E + F 0 366B 6 -2,-0.4 2,-0.3 -256,-0.3 25,-0.2 -0.869 10.0 171.1-121.5 152.0 -11.3 27.8 30.0 342 393 A G E - F 0 365B 0 23,-2.2 23,-3.3 -2,-0.3 2,-0.5 -0.927 25.9-134.9-159.1 137.8 -14.1 26.3 32.1 343 394 A R E -EF 81 364B 92 -262,-1.9 -262,-3.1 -2,-0.3 21,-0.2 -0.830 33.4-113.8 -95.8 124.0 -17.2 24.3 31.2 344 395 A A E -E 80 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