==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 07-MAR-10 3M2I . COMPND 2 MOLECULE: CYTOCHROME C PEROXIDASE, MITOCHONDRIAL; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR Y.T.MEHARENNA,T.L.POULOS . 291 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13037.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 182 62.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 4.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 9 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 14.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 103 35.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 4 0 0 0 3 1 0 1 1 1 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 3 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 4 A L 0 0 122 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 146.6 11.5 90.4 74.7 2 5 A V - 0 0 107 269,-0.0 2,-0.7 2,-0.0 269,-0.1 -0.882 360.0-158.2-105.3 130.0 9.7 87.6 72.9 3 6 A H E -a 271 0A 25 267,-0.6 269,-3.2 -2,-0.4 2,-0.5 -0.903 11.2-162.6-112.0 103.4 8.7 88.1 69.3 4 7 A V E -a 272 0A 70 -2,-0.7 269,-0.2 267,-0.2 2,-0.1 -0.727 22.9-118.0 -92.3 126.3 5.9 85.7 68.5 5 8 A A - 0 0 10 267,-2.8 2,-0.4 -2,-0.5 122,-0.2 -0.414 30.6-168.6 -59.0 132.5 5.1 85.1 64.8 6 9 A S - 0 0 74 120,-2.4 120,-0.2 -2,-0.1 3,-0.1 -0.967 20.4-127.6-133.4 109.5 1.6 86.2 64.0 7 10 A V - 0 0 53 -2,-0.4 3,-0.2 118,-0.1 121,-0.0 -0.341 33.9-100.9 -61.1 130.4 0.3 85.1 60.6 8 11 A E > - 0 0 19 1,-0.2 3,-2.6 2,-0.1 -1,-0.1 -0.301 64.0 -79.2 -52.4 132.4 -1.1 88.0 58.5 9 12 A K T 3 S- 0 0 198 1,-0.3 -1,-0.2 89,-0.1 3,-0.1 -0.128 106.0 -12.0 -58.6 122.3 -4.9 87.6 59.1 10 13 A G T 3 S+ 0 0 73 1,-0.2 -1,-0.3 -3,-0.2 2,-0.2 0.382 98.9 138.0 79.3 0.5 -6.4 84.9 56.9 11 14 A R < + 0 0 81 -3,-2.6 -1,-0.2 3,-0.0 2,-0.2 -0.476 24.2 172.5 -84.9 151.8 -3.3 84.5 54.7 12 15 A S >> - 0 0 61 -2,-0.2 4,-1.6 -3,-0.1 3,-1.0 -0.745 51.6 -67.1-142.0-173.6 -1.9 81.2 53.5 13 16 A Y H 3> S+ 0 0 66 1,-0.3 4,-2.4 -2,-0.2 5,-0.2 0.852 125.4 56.7 -51.5 -41.2 0.7 79.9 51.2 14 17 A E H 3> S+ 0 0 111 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.849 103.9 53.6 -63.3 -34.3 -1.0 81.1 48.0 15 18 A D H <> S+ 0 0 19 -3,-1.0 4,-1.5 1,-0.2 -1,-0.2 0.934 112.1 43.9 -62.8 -46.1 -1.0 84.7 49.2 16 19 A F H X S+ 0 0 0 -4,-1.6 4,-2.9 2,-0.2 -2,-0.2 0.852 108.5 57.6 -70.4 -31.8 2.7 84.6 49.8 17 20 A Q H X S+ 0 0 13 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.885 104.7 53.6 -63.4 -36.8 3.4 82.8 46.5 18 21 A K H X S+ 0 0 105 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.902 110.0 46.2 -61.6 -40.8 1.6 85.8 44.8 19 22 A V H X S+ 0 0 0 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.930 112.3 51.1 -66.8 -46.4 4.0 88.2 46.6 20 23 A Y H X S+ 0 0 0 -4,-2.9 4,-3.0 1,-0.2 5,-0.2 0.931 110.9 49.9 -45.9 -53.8 7.0 85.9 45.7 21 24 A N H X S+ 0 0 22 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.877 107.8 50.8 -62.8 -37.7 5.8 86.0 42.1 22 25 A A H X S+ 0 0 15 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.914 113.0 47.0 -65.9 -39.3 5.4 89.8 42.0 23 26 A I H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.940 113.6 48.4 -61.5 -47.8 9.0 90.1 43.3 24 27 A A H X S+ 0 0 1 -4,-3.0 4,-1.8 1,-0.2 -2,-0.2 0.862 110.4 50.2 -64.2 -39.3 10.2 87.6 40.9 25 28 A L H X S+ 0 0 78 -4,-2.6 4,-2.1 -5,-0.2 -1,-0.2 0.885 111.5 48.6 -68.1 -37.6 8.5 89.3 37.9 26 29 A K H X S+ 0 0 54 -4,-2.0 4,-2.9 2,-0.2 -2,-0.2 0.864 107.8 55.6 -71.1 -32.8 9.9 92.7 38.8 27 30 A L H < S+ 0 0 23 -4,-2.3 12,-0.2 1,-0.2 -2,-0.2 0.894 111.0 44.9 -62.0 -39.7 13.3 91.1 39.2 28 31 A R H < S+ 0 0 128 -4,-1.8 3,-0.3 -5,-0.2 -2,-0.2 0.918 118.0 43.1 -68.1 -42.8 13.0 89.9 35.7 29 32 A E H < S+ 0 0 138 -4,-2.1 2,-1.7 1,-0.2 3,-0.2 0.894 106.2 58.2 -73.3 -44.3 11.7 93.2 34.3 30 33 A D >< + 0 0 31 -4,-2.9 3,-0.6 1,-0.2 9,-0.4 -0.395 66.9 142.3 -88.0 62.3 13.9 95.7 36.0 31 34 A D T 3 + 0 0 83 -2,-1.7 -1,-0.2 -3,-0.3 -2,-0.1 0.584 48.9 72.8 -87.8 -9.8 17.0 94.2 34.6 32 35 A E T 3> + 0 0 86 -3,-0.2 4,-2.2 5,-0.1 3,-0.4 0.733 66.3 119.7 -76.3 -26.7 19.1 97.3 33.9 33 36 A Y H <>>S+ 0 0 24 -3,-0.6 5,-3.0 1,-0.2 4,-0.9 -0.039 79.8 6.7 -51.9 137.7 20.0 98.1 37.5 34 37 A D H >45S- 0 0 32 1,-0.2 3,-1.3 2,-0.2 -1,-0.2 0.948 139.1 -47.8 58.9 53.5 23.7 98.1 38.5 35 38 A N H 345S- 0 0 151 -3,-0.4 -1,-0.2 1,-0.3 -2,-0.2 0.891 113.3 -49.3 50.8 46.7 25.0 97.7 34.9 36 39 A Y H 3<5S+ 0 0 158 -4,-2.2 -1,-0.3 1,-0.1 -2,-0.2 0.570 110.1 117.7 71.6 17.8 22.6 94.8 34.2 37 40 A I T <<5 - 0 0 16 -3,-1.3 3,-0.3 -4,-0.9 -3,-0.2 0.898 66.3-150.3 -69.2 -34.8 23.4 92.9 37.4 38 41 A G < - 0 0 8 -5,-3.0 4,-0.4 1,-0.2 -7,-0.1 -0.205 29.4 -68.0 82.7 174.2 19.8 93.4 38.3 39 42 A Y S > S+ 0 0 33 -9,-0.4 4,-2.2 -12,-0.2 5,-0.2 0.389 102.0 98.3 -83.8 -1.0 18.3 93.7 41.8 40 43 A G H > S+ 0 0 4 -3,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.955 85.3 43.0 -54.9 -56.6 18.9 90.1 42.9 41 44 A P H > S+ 0 0 15 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.931 113.7 49.5 -59.5 -46.7 22.1 90.7 44.9 42 45 A V H > S+ 0 0 13 -4,-0.4 4,-2.4 1,-0.2 -2,-0.2 0.864 109.6 53.5 -68.7 -27.1 21.0 93.9 46.6 43 46 A L H X S+ 0 0 1 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.886 108.8 48.9 -69.9 -36.2 17.8 92.1 47.7 44 47 A V H X S+ 0 0 8 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.929 112.8 47.8 -63.8 -44.6 19.8 89.3 49.2 45 48 A R H X S+ 0 0 94 -4,-2.7 4,-3.1 1,-0.2 5,-0.2 0.882 108.8 54.5 -64.8 -36.9 21.9 91.8 51.0 46 49 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.2 5,-0.2 0.945 108.3 49.1 -59.4 -47.1 18.8 93.7 52.2 47 50 A A H X S+ 0 0 0 -4,-2.3 4,-1.0 1,-0.2 -1,-0.2 0.904 114.6 46.2 -56.5 -43.0 17.4 90.5 53.7 48 51 A W H X S+ 0 0 40 -4,-2.1 4,-2.9 2,-0.2 3,-0.4 0.934 113.2 46.1 -68.4 -45.2 20.7 89.9 55.4 49 52 A H H < S+ 0 0 4 -4,-3.1 4,-0.4 1,-0.2 -2,-0.2 0.831 111.2 52.4 -69.7 -31.7 21.3 93.3 56.8 50 53 A T H < S+ 0 0 6 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.752 120.1 36.2 -72.8 -20.8 17.7 93.6 58.1 51 54 A S H >< S+ 0 0 0 -4,-1.0 3,-1.4 -3,-0.4 12,-0.2 0.757 105.4 69.4 -94.2 -30.9 18.2 90.3 59.9 52 55 A G T 3< S+ 0 0 0 -4,-2.9 -3,-0.1 1,-0.3 -2,-0.1 0.399 77.4 77.2 -81.4 0.8 21.9 90.7 60.9 53 56 A T T 3 S+ 0 0 4 -4,-0.4 -1,-0.3 -3,-0.1 -2,-0.1 0.435 71.7 124.1 -77.5 -4.9 21.3 93.4 63.5 54 57 A W < - 0 0 23 -3,-1.4 2,-0.5 7,-0.2 7,-0.2 -0.280 47.5-160.4 -63.3 145.0 20.1 90.7 65.8 55 58 A D B >>> -B 60 0B 30 5,-2.0 4,-2.2 1,-0.1 3,-1.3 -0.969 7.1-157.8-122.9 112.8 21.7 90.2 69.2 56 59 A K T 345S+ 0 0 87 101,-2.2 -1,-0.1 -2,-0.5 102,-0.1 0.722 87.0 68.5 -61.5 -21.8 21.1 86.8 70.7 57 60 A H T 345S+ 0 0 139 100,-0.2 -1,-0.3 1,-0.2 -3,-0.0 0.823 123.9 3.3 -72.2 -30.9 21.8 88.1 74.2 58 61 A D T <45S- 0 0 77 -3,-1.3 -2,-0.2 2,-0.1 -1,-0.2 0.343 94.1-115.0-137.7 5.8 18.7 90.3 74.4 59 62 A N T <5 + 0 0 23 -4,-2.2 2,-0.2 1,-0.2 -3,-0.2 0.696 62.8 149.8 65.1 25.6 16.8 89.6 71.2 60 63 A T B < +B 55 0B 41 -5,-0.6 -5,-2.0 -7,-0.1 -1,-0.2 -0.453 53.6 6.4 -82.7 161.1 17.2 93.2 70.0 61 64 A G S S+ 0 0 12 73,-0.5 3,-0.2 -7,-0.2 -7,-0.2 -0.256 76.6 126.2 63.9-153.2 17.3 93.8 66.3 62 65 A G S S- 0 0 3 1,-0.2 3,-0.4 -13,-0.2 5,-0.4 -0.124 75.1 -69.3 88.1 172.3 16.6 91.0 63.9 63 66 A S S > S+ 0 0 4 206,-0.5 3,-0.9 203,-0.3 -1,-0.2 0.680 106.4 86.0 -70.5 -21.6 14.1 90.6 61.0 64 67 A Y T 3 S+ 0 0 22 205,-0.4 38,-0.4 1,-0.2 64,-0.3 0.870 90.3 41.6 -56.4 -47.9 10.9 90.5 63.1 65 68 A G T 3 S- 0 0 5 -3,-0.4 65,-1.8 -4,-0.2 -1,-0.2 0.593 89.7-136.0 -85.7 -8.1 10.2 94.2 63.4 66 69 A G X + 0 0 3 -3,-0.9 3,-1.4 -4,-0.3 -3,-0.1 0.850 43.8 159.9 60.4 37.4 11.0 95.4 59.9 67 70 A T G > + 0 0 5 -5,-0.4 3,-2.8 1,-0.3 6,-0.4 0.615 48.5 88.2 -74.4 -10.8 12.8 98.4 61.4 68 71 A Y G 3 S+ 0 0 2 1,-0.3 6,-0.3 5,-0.2 -1,-0.3 0.781 76.2 73.0 -52.5 -30.6 14.9 99.2 58.3 69 72 A R G < S+ 0 0 61 -3,-1.4 2,-0.3 4,-0.1 -1,-0.3 0.645 83.7 84.3 -62.2 -13.5 11.8 101.4 57.3 70 73 A F S X> S- 0 0 34 -3,-2.8 4,-2.5 1,-0.1 3,-0.9 -0.753 88.7-120.6 -95.5 148.2 12.9 103.9 60.0 71 74 A K H 3> S+ 0 0 125 -2,-0.3 4,-2.3 1,-0.3 -1,-0.1 0.772 106.1 61.3 -61.5 -34.4 15.5 106.5 59.3 72 75 A K H 34 S+ 0 0 80 1,-0.2 -1,-0.3 2,-0.2 -4,-0.1 0.937 115.8 34.2 -59.2 -41.6 18.1 105.5 61.9 73 76 A E H X4 S+ 0 0 3 -3,-0.9 3,-1.7 -6,-0.4 -2,-0.2 0.877 116.2 51.4 -82.9 -41.3 18.4 102.1 60.3 74 77 A F H 3< S+ 0 0 69 -4,-2.5 -1,-0.2 -6,-0.3 -2,-0.2 0.830 113.3 49.7 -69.3 -23.4 18.0 103.0 56.6 75 78 A N T 3< S+ 0 0 95 -4,-2.3 -1,-0.3 -5,-0.3 -2,-0.2 0.323 77.5 128.5 -93.1 9.7 20.7 105.6 57.1 76 79 A D X - 0 0 9 -3,-1.7 3,-2.5 1,-0.2 4,-0.1 -0.466 64.6-133.3 -58.1 128.7 23.1 103.3 58.8 77 80 A P G > S+ 0 0 98 0, 0.0 3,-1.8 0, 0.0 -1,-0.2 0.848 107.5 62.5 -51.0 -34.4 26.4 103.8 56.9 78 81 A S G 3 S+ 0 0 37 1,-0.3 -2,-0.1 63,-0.0 -3,-0.0 0.681 100.8 53.0 -62.9 -20.5 26.6 100.0 56.8 79 82 A N G X S+ 0 0 0 -3,-2.5 3,-2.4 -6,-0.2 4,-0.4 0.226 74.2 145.3 -99.4 11.7 23.4 99.9 54.8 80 83 A A T < S+ 0 0 31 -3,-1.8 -5,-0.1 1,-0.3 101,-0.0 -0.323 72.5 18.5 -57.5 126.1 24.6 102.4 52.1 81 84 A G T > S+ 0 0 6 -2,-0.0 3,-1.9 100,-0.0 4,-0.4 -0.000 93.0 102.1 103.6 -25.6 23.0 101.2 48.8 82 85 A L T X> + 0 0 2 -3,-2.4 4,-2.2 1,-0.3 3,-0.9 0.710 62.3 80.8 -65.9 -16.6 20.2 99.1 50.3 83 86 A Q H 3> S+ 0 0 75 -4,-0.4 4,-2.6 1,-0.3 -1,-0.3 0.801 85.0 62.4 -57.3 -27.0 17.8 101.9 49.6 84 87 A N H <> S+ 0 0 53 -3,-1.9 4,-1.9 2,-0.2 -1,-0.3 0.899 104.1 45.7 -65.8 -38.4 17.8 100.5 46.0 85 88 A G H <> S+ 0 0 0 -3,-0.9 4,-2.0 -4,-0.4 -2,-0.2 0.898 112.5 51.1 -69.5 -38.8 16.3 97.3 47.3 86 89 A F H X S+ 0 0 60 -4,-2.2 4,-1.2 2,-0.2 -2,-0.2 0.918 109.6 49.1 -61.6 -45.4 13.8 99.1 49.4 87 90 A K H < S+ 0 0 145 -4,-2.6 3,-0.4 1,-0.2 -1,-0.2 0.905 108.9 54.4 -64.0 -38.4 12.7 101.2 46.5 88 91 A F H < S+ 0 0 3 -4,-1.9 4,-0.5 1,-0.2 -1,-0.2 0.895 110.1 47.0 -54.7 -49.8 12.3 98.0 44.4 89 92 A L H X S+ 0 0 2 -4,-2.0 4,-2.8 1,-0.2 3,-0.3 0.682 90.9 85.4 -71.5 -16.6 10.1 96.5 47.1 90 93 A E H X S+ 0 0 97 -4,-1.2 4,-2.2 -3,-0.4 -1,-0.2 0.904 90.7 44.2 -55.6 -49.7 7.9 99.6 47.4 91 94 A P H > S+ 0 0 60 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.814 112.4 55.5 -65.5 -26.8 5.5 98.8 44.5 92 95 A I H > S+ 0 0 6 -4,-0.5 4,-2.1 -3,-0.3 -2,-0.2 0.941 108.8 46.5 -64.7 -46.2 5.3 95.3 45.8 93 96 A H H < S+ 0 0 48 -4,-2.8 6,-0.2 1,-0.2 -1,-0.2 0.877 109.8 54.2 -64.6 -36.4 4.3 96.5 49.2 94 97 A K H < S+ 0 0 185 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.865 110.9 45.7 -64.1 -38.1 1.7 98.8 47.7 95 98 A E H < S+ 0 0 130 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.861 126.2 30.8 -72.0 -32.7 0.2 95.9 45.8 96 99 A F >< + 0 0 20 -4,-2.1 3,-1.9 -5,-0.1 -1,-0.3 -0.601 69.5 163.7-124.6 68.5 0.2 93.7 48.9 97 100 A P T 3 + 0 0 96 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.648 67.0 70.4 -68.5 -13.5 -0.2 96.1 51.8 98 101 A W T 3 S+ 0 0 55 -3,-0.1 2,-0.2 2,-0.1 -89,-0.1 0.615 76.3 95.2 -74.2 -18.1 -1.1 93.3 54.2 99 102 A I S < S- 0 0 4 -3,-1.9 -3,-0.0 -6,-0.2 2,-0.0 -0.547 80.4-117.5 -78.4 143.0 2.3 91.8 54.3 100 103 A S > - 0 0 12 -2,-0.2 4,-2.4 27,-0.2 5,-0.1 -0.357 20.1-116.9 -73.3 159.9 4.5 93.0 57.1 101 104 A S H > S+ 0 0 8 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.921 115.3 48.2 -61.5 -44.9 7.8 94.8 56.4 102 105 A G H > S+ 0 0 1 -38,-0.4 4,-2.2 2,-0.2 5,-0.3 0.894 111.2 51.1 -65.0 -39.6 10.0 92.1 57.9 103 106 A D H > S+ 0 0 0 24,-0.2 4,-2.6 -39,-0.2 -2,-0.2 0.948 112.9 46.3 -63.4 -39.6 8.1 89.5 56.0 104 107 A L H X S+ 0 0 1 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.938 112.3 48.2 -70.5 -44.4 8.6 91.5 52.8 105 108 A F H X S+ 0 0 2 -4,-3.0 4,-1.2 2,-0.2 -1,-0.2 0.924 117.3 42.5 -61.2 -43.3 12.4 92.2 53.3 106 109 A S H X S+ 0 0 0 -4,-2.2 4,-2.0 -5,-0.2 3,-0.4 0.925 112.8 52.3 -70.8 -39.8 13.1 88.6 54.2 107 110 A L H X S+ 0 0 0 -4,-2.6 4,-3.1 -5,-0.3 5,-0.3 0.849 102.6 60.8 -63.6 -34.2 10.9 87.2 51.4 108 111 A G H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.894 105.8 47.2 -56.9 -40.9 12.8 89.5 48.9 109 112 A G H X S+ 0 0 0 -4,-1.2 4,-2.6 -3,-0.4 -2,-0.2 0.893 112.7 47.6 -68.7 -43.4 16.0 87.7 49.8 110 113 A V H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.934 113.4 48.6 -57.3 -48.5 14.5 84.2 49.5 111 114 A T H X S+ 0 0 0 -4,-3.1 4,-3.0 1,-0.2 5,-0.2 0.921 111.5 50.1 -62.2 -45.8 12.9 85.2 46.2 112 115 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 -5,-0.3 6,-0.2 0.935 110.7 48.3 -58.9 -47.5 16.1 86.6 44.9 113 116 A V H <>S+ 0 0 0 -4,-2.6 5,-2.3 1,-0.2 82,-0.3 0.950 116.4 43.5 -57.5 -47.9 18.2 83.6 45.8 114 117 A Q H ><5S+ 0 0 4 -4,-2.4 3,-1.8 1,-0.2 -2,-0.2 0.920 112.4 50.3 -67.5 -44.1 15.7 81.2 44.2 115 118 A E H 3<5S+ 0 0 46 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.814 104.6 60.0 -66.0 -28.4 15.1 83.2 41.1 116 119 A M T 3<5S- 0 0 15 -4,-2.1 79,-2.7 -5,-0.2 -1,-0.3 0.211 127.9-100.8 -80.8 17.9 18.9 83.4 40.6 117 120 A Q T < 5S+ 0 0 117 -3,-1.8 -3,-0.2 77,-0.2 -2,-0.2 0.683 79.3 138.8 73.6 22.2 18.9 79.5 40.5 118 121 A G < - 0 0 13 -5,-2.3 -1,-0.2 -6,-0.2 3,-0.1 -0.136 60.5 -63.9 -78.3-173.7 20.0 79.1 44.1 119 122 A P - 0 0 11 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 -0.304 57.7 -94.7 -68.7 158.8 18.7 76.6 46.5 120 123 A K - 0 0 65 -3,-0.1 162,-0.1 -6,-0.1 164,-0.1 -0.568 38.7-156.3 -61.3 135.7 15.1 76.6 47.8 121 124 A I - 0 0 0 -2,-0.2 162,-0.3 162,-0.1 -7,-0.1 -0.960 12.2-134.5-118.4 108.3 15.0 78.5 51.0 122 125 A P - 0 0 28 0, 0.0 2,-0.4 0, 0.0 160,-0.2 -0.336 28.2-164.0 -61.2 143.8 12.0 77.5 53.2 123 126 A W B -C 281 0C 2 158,-2.3 158,-3.2 156,-0.1 2,-0.4 -0.994 11.4-155.4-138.3 136.0 10.4 80.7 54.5 124 127 A R - 0 0 50 -2,-0.4 3,-0.2 156,-0.2 2,-0.1 -0.931 11.1-143.8-115.5 142.2 8.0 81.4 57.4 125 128 A C + 0 0 9 -2,-0.4 -118,-0.1 1,-0.1 -120,-0.0 -0.339 59.1 87.0 -88.7 174.5 5.5 84.2 57.7 126 129 A G + 0 0 0 1,-0.3 -120,-2.4 -120,-0.2 -1,-0.1 0.471 38.9 146.4 117.4 -1.6 4.5 86.1 60.7 127 130 A R - 0 0 2 -3,-0.2 2,-0.4 -122,-0.2 -1,-0.3 -0.429 35.6-150.8 -58.3 142.5 7.0 88.9 61.3 128 131 A V - 0 0 55 -64,-0.3 -121,-0.0 -28,-0.1 -1,-0.0 -0.980 17.6-109.9-122.8 130.1 5.1 91.9 62.9 129 132 A D - 0 0 64 -2,-0.4 -63,-0.2 -63,-0.1 -64,-0.2 -0.339 35.0-160.9 -57.5 135.9 6.0 95.5 62.4 130 133 A T - 0 0 22 -65,-1.8 -1,-0.0 1,-0.1 5,-0.0 -0.779 26.1 -85.0-117.2 161.0 7.4 97.1 65.6 131 134 A P > - 0 0 80 0, 0.0 3,-2.4 0, 0.0 4,-0.3 -0.041 38.8-100.3 -70.5 168.1 7.6 100.8 66.5 132 135 A E G > S+ 0 0 90 1,-0.3 3,-1.8 2,-0.2 -60,-0.1 0.839 118.0 62.1 -55.1 -37.5 10.4 103.3 65.7 133 136 A D G 3 S+ 0 0 143 1,-0.3 -1,-0.3 3,-0.0 0, 0.0 0.565 94.0 64.3 -72.1 -3.1 11.9 103.1 69.1 134 137 A T G < S+ 0 0 51 -3,-2.4 -73,-0.5 -69,-0.1 -1,-0.3 0.438 73.4 118.4 -94.0 0.0 12.6 99.4 68.6 135 138 A T < - 0 0 7 -3,-1.8 2,-0.1 -4,-0.3 -75,-0.0 -0.484 68.8-122.6 -64.1 127.6 15.1 100.1 65.8 136 139 A P - 0 0 9 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.422 29.5-103.4 -72.3 150.5 18.5 98.9 66.7 137 140 A D > - 0 0 107 1,-0.1 3,-0.5 -2,-0.1 -64,-0.0 -0.250 42.3 -91.2 -65.1 159.6 21.4 101.4 66.7 138 141 A N T 3 S+ 0 0 69 1,-0.2 -1,-0.1 2,-0.1 -65,-0.1 -0.268 100.0 59.5 -59.6 153.6 23.9 101.6 63.9 139 142 A G T 3 + 0 0 64 -3,-0.1 -1,-0.2 3,-0.0 -2,-0.1 0.430 66.2 104.9 104.5 5.6 27.1 99.5 64.3 140 143 A R < + 0 0 51 -3,-0.5 -2,-0.1 2,-0.1 -3,-0.0 0.528 62.3 84.2 -91.9 -6.3 25.8 96.0 64.6 141 144 A L S S- 0 0 4 1,-0.1 2,-0.1 -88,-0.1 -88,-0.1 -0.586 88.7 -91.8 -95.8 156.4 26.7 94.9 61.0 142 145 A P - 0 0 44 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.344 24.2-125.8 -81.5 152.7 30.3 93.7 60.3 143 146 A D - 0 0 79 1,-0.1 3,-0.3 -2,-0.1 -65,-0.0 -0.645 11.0-150.8 -81.8 149.2 33.4 95.5 59.2 144 147 A A S S+ 0 0 21 -2,-0.3 87,-1.6 1,-0.2 88,-0.2 0.487 83.9 72.3 -99.1 -8.6 35.2 94.2 56.1 145 148 A D S S+ 0 0 92 85,-0.2 -1,-0.2 84,-0.1 2,-0.1 0.219 84.1 95.6 -94.6 15.0 38.8 95.2 57.0 146 149 A K - 0 0 66 -3,-0.3 88,-0.2 1,-0.1 2,-0.1 -0.360 67.1-110.1-109.2 176.6 39.2 92.5 59.7 147 150 A D > - 0 0 81 -2,-0.1 4,-2.3 86,-0.1 5,-0.2 -0.260 40.7 -86.3-105.1-174.7 40.6 89.0 60.2 148 151 A A H > S+ 0 0 8 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.866 124.1 56.1 -65.4 -34.8 39.2 85.6 60.8 149 152 A D H > S+ 0 0 101 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.903 108.7 48.9 -64.2 -40.9 39.1 86.0 64.6 150 153 A Y H > S+ 0 0 58 2,-0.2 4,-3.2 1,-0.2 -1,-0.2 0.923 112.1 48.1 -58.4 -51.5 36.9 89.1 64.1 151 154 A V H X S+ 0 0 4 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.943 112.6 47.9 -58.7 -46.1 34.6 87.3 61.7 152 155 A R H X S+ 0 0 36 -4,-2.8 4,-1.2 1,-0.2 -1,-0.2 0.941 115.8 43.5 -62.6 -48.7 34.2 84.3 64.0 153 156 A T H >X S+ 0 0 91 -4,-2.4 4,-0.8 -5,-0.2 3,-0.5 0.938 111.4 55.6 -64.0 -42.0 33.6 86.4 67.1 154 157 A F H >< S+ 0 0 19 -4,-3.2 3,-1.2 1,-0.2 4,-0.4 0.922 107.8 47.7 -51.8 -52.2 31.2 88.7 65.1 155 158 A F H ><>S+ 0 0 10 -4,-2.3 5,-2.4 1,-0.3 3,-0.9 0.719 93.5 74.7 -75.3 -15.8 29.0 85.8 64.0 156 159 A Q H X<5S+ 0 0 97 -4,-1.2 3,-1.7 -3,-0.5 -1,-0.3 0.858 90.2 61.1 -56.4 -32.1 28.7 84.3 67.5 157 160 A R T <<5S+ 0 0 42 -3,-1.2 -101,-2.2 -4,-0.8 -1,-0.2 0.785 104.9 46.8 -68.5 -25.3 26.4 87.2 68.3 158 161 A L T < 5S- 0 0 0 -3,-0.9 -1,-0.3 -4,-0.4 -2,-0.2 0.202 119.4-113.9 -93.2 11.3 24.1 85.8 65.5 159 162 A N T < 5 + 0 0 83 -3,-1.7 2,-0.4 1,-0.2 -3,-0.2 0.844 68.2 146.3 56.5 40.1 24.5 82.3 66.9 160 163 A M < - 0 0 6 -5,-2.4 -1,-0.2 -8,-0.1 -2,-0.1 -0.903 34.3-153.6-108.8 134.9 26.4 81.2 63.8 161 164 A N > - 0 0 87 -2,-0.4 4,-2.8 -5,-0.0 5,-0.2 -0.255 40.4 -83.0 -92.7-177.2 29.1 78.5 63.9 162 165 A D H > S+ 0 0 40 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.904 128.3 47.1 -58.2 -44.4 32.1 78.1 61.5 163 166 A R H > S+ 0 0 81 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.916 112.7 49.6 -64.8 -41.9 30.1 76.1 58.9 164 167 A E H > S+ 0 0 40 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.901 111.7 49.3 -64.0 -40.4 27.2 78.6 59.0 165 168 A V H X S+ 0 0 1 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.944 112.3 45.9 -64.9 -47.9 29.5 81.5 58.6 166 169 A V H X S+ 0 0 0 -4,-2.6 4,-0.7 -5,-0.2 -2,-0.2 0.923 114.9 49.1 -63.1 -39.6 31.4 80.0 55.6 167 170 A A H >< S+ 0 0 1 -4,-2.5 3,-1.4 -5,-0.2 4,-0.2 0.943 111.1 48.7 -61.6 -47.6 28.2 79.0 54.0 168 171 A L H >< S+ 0 0 19 -4,-2.8 3,-2.0 1,-0.3 -1,-0.2 0.875 103.2 61.3 -62.8 -36.8 26.6 82.4 54.4 169 172 A M H >< S+ 0 0 20 -4,-2.4 3,-2.3 1,-0.3 -1,-0.3 0.700 83.4 80.7 -64.7 -18.1 29.6 84.1 53.0 170 173 A G G X< S+ 0 0 0 -3,-1.4 3,-1.9 -4,-0.7 29,-0.3 0.663 72.4 79.4 -58.7 -18.5 29.1 82.2 49.7 171 174 A A G X S+ 0 0 18 -3,-2.0 3,-2.2 1,-0.3 -1,-0.3 0.697 71.1 82.3 -63.8 -15.1 26.5 84.9 49.0 172 175 A H G < + 0 0 39 -3,-2.3 16,-0.4 1,-0.3 -1,-0.3 0.505 68.7 80.6 -72.1 2.0 29.4 87.0 48.0 173 176 A A G < S+ 0 0 1 -3,-1.9 -1,-0.3 23,-0.2 2,-0.2 0.807 86.0 81.3 -61.0 -29.1 29.3 85.3 44.7 174 177 A L S < S- 0 0 9 -3,-2.2 19,-0.2 -4,-0.2 18,-0.1 -0.561 96.8 -25.9 -86.3 143.9 26.5 87.8 44.0 175 178 A G S S- 0 0 3 17,-3.0 13,-0.5 -2,-0.2 14,-0.3 -0.251 77.8 -94.6 68.4-142.2 26.7 91.4 42.9 176 179 A K - 0 0 45 11,-0.2 2,-0.3 12,-0.1 -3,-0.0 -0.979 24.1 -92.8-163.9 166.6 29.7 93.5 43.7 177 180 A T B -D 186 0D 9 9,-2.8 9,-2.3 -2,-0.3 2,-0.5 -0.701 35.6-152.5 -87.0 144.7 31.4 96.0 46.0 178 181 A H >>> - 0 0 32 -2,-0.3 4,-2.1 7,-0.2 3,-1.6 -0.986 10.1-141.6-122.7 120.8 30.9 99.6 45.1 179 182 A L H 3>5S+ 0 0 47 -2,-0.5 4,-1.8 1,-0.3 -1,-0.1 0.847 100.1 49.2 -54.0 -41.4 33.6 102.1 46.1 180 183 A K H 345S+ 0 0 213 1,-0.2 -1,-0.3 2,-0.2 5,-0.1 0.691 116.0 45.5 -75.8 -12.9 31.2 104.9 47.0 181 184 A R H <45S+ 0 0 74 -3,-1.6 -101,-0.2 3,-0.3 -2,-0.2 0.932 135.2 0.1 -89.1 -52.4 29.1 102.6 49.1 182 185 A S H <5S- 0 0 54 -4,-2.1 -3,-0.2 2,-0.4 -2,-0.2 0.439 93.3-106.9-122.1 -7.1 31.6 100.6 51.2 183 186 A G S <> S+ 0 0 7 -2,-0.3 4,-1.4 1,-0.2 3,-0.9 0.062 79.7 121.3 -88.7 22.1 29.6 78.2 44.6 198 201 A E H 3> + 0 0 27 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.771 60.4 68.1 -58.3 -31.0 32.0 80.4 42.6 199 202 A F H 3> S+ 0 0 0 -3,-0.4 4,-2.3 -29,-0.3 -1,-0.2 0.921 104.3 43.2 -57.1 -44.5 33.0 82.4 45.6 200 203 A Y H <> S+ 0 0 0 -3,-0.9 4,-2.2 2,-0.2 -1,-0.2 0.901 113.1 51.2 -67.9 -43.0 34.8 79.4 47.1 201 204 A L H X S+ 0 0 58 -4,-1.4 4,-2.5 2,-0.2 5,-0.3 0.918 111.6 47.9 -59.4 -45.6 36.4 78.4 43.8 202 205 A N H X S+ 0 0 14 -4,-3.0 4,-2.2 2,-0.2 -2,-0.2 0.917 108.2 54.9 -66.6 -39.9 37.7 81.9 43.2 203 206 A L H < S+ 0 0 2 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.929 118.3 35.0 -54.9 -44.7 39.1 82.1 46.7 204 207 A L H < S+ 0 0 54 -4,-2.2 -1,-0.2 1,-0.1 -2,-0.2 0.770 126.2 35.1 -79.5 -28.4 41.1 78.9 46.2 205 208 A N H < S+ 0 0 106 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.680 92.3 86.7-110.7 -18.5 42.0 79.2 42.5 206 209 A E S < S- 0 0 45 -4,-2.2 2,-0.9 -5,-0.3 16,-0.0 -0.418 78.3-117.4 -78.0 160.4 42.7 82.8 41.6 207 210 A D - 0 0 109 -2,-0.1 16,-0.5 2,-0.0 2,-0.3 -0.848 39.6-157.6 -96.2 100.3 46.0 84.4 42.1 208 211 A W - 0 0 28 -2,-0.9 2,-0.4 -5,-0.2 14,-0.2 -0.611 12.4-167.7 -90.5 139.2 45.3 87.1 44.6 209 212 A K E -E 221 0E 132 12,-2.4 12,-2.8 -2,-0.3 2,-0.8 -0.985 24.6-125.8-122.5 135.8 47.3 90.3 45.2 210 213 A L E +E 220 0E 79 -2,-0.4 2,-0.3 10,-0.2 10,-0.2 -0.682 47.0 162.2 -82.9 110.6 46.9 92.6 48.2 211 214 A E E -E 219 0E 89 8,-2.8 8,-2.4 -2,-0.8 2,-0.5 -0.764 39.8-115.2-125.1 167.3 46.4 96.0 46.7 212 215 A K E -E 218 0E 120 -2,-0.3 6,-0.2 6,-0.2 2,-0.1 -0.922 29.2-145.3-102.5 135.6 45.0 99.4 47.7 213 216 A N > - 0 0 17 4,-2.8 3,-1.9 -2,-0.5 -29,-0.0 -0.206 37.8 -87.4 -85.9-177.3 41.9 100.6 46.0 214 217 A D T 3 S+ 0 0 159 1,-0.3 -30,-0.1 2,-0.1 -1,-0.1 0.557 127.8 59.8 -76.1 -4.4 41.1 104.2 45.2 215 218 A A T 3 S- 0 0 40 -32,-0.2 -1,-0.3 2,-0.2 3,-0.1 0.277 119.2-111.0 -95.7 11.1 39.5 104.8 48.6 216 219 A N S < S+ 0 0 104 -3,-1.9 2,-0.4 1,-0.3 -2,-0.1 0.709 76.6 130.8 68.7 22.2 42.9 103.8 50.1 217 220 A N - 0 0 59 -34,-0.2 -4,-2.8 1,-0.0 2,-0.3 -0.835 59.2-116.0-104.7 145.5 41.6 100.5 51.6 218 221 A E E +E 212 0E 101 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.2 -0.582 41.7 158.6 -77.1 137.5 43.3 97.2 51.1 219 222 A Q E -E 211 0E 5 -8,-2.4 -8,-2.8 -2,-0.3 2,-0.5 -0.967 42.4-106.2-148.1 161.8 41.5 94.5 49.2 220 223 A W E -EF 210 228E 40 8,-2.6 8,-2.1 -2,-0.3 2,-0.3 -0.812 39.7-171.6 -94.0 129.2 42.6 91.3 47.4 221 224 A D E -EF 209 227E 29 -12,-2.8 -12,-2.4 -2,-0.5 2,-0.3 -0.931 10.1-154.4-124.7 143.4 42.5 91.6 43.6 222 225 A S > - 0 0 12 4,-2.5 3,-2.0 -2,-0.3 4,-0.2 -0.821 31.2-116.6-113.4 159.1 43.0 89.1 40.7 223 226 A K T 3 S+ 0 0 163 -16,-0.5 -15,-0.1 -2,-0.3 -1,-0.1 0.689 113.1 67.7 -62.7 -21.5 44.1 89.5 37.1 224 227 A S T 3 S- 0 0 65 -17,-0.1 -1,-0.3 2,-0.1 -35,-0.0 0.528 122.4-104.0 -74.0 -7.4 40.6 88.3 36.1 225 228 A G S < S+ 0 0 48 -3,-2.0 2,-0.2 1,-0.3 -2,-0.2 0.685 79.6 129.1 90.8 18.6 39.2 91.5 37.6 226 229 A Y - 0 0 44 -4,-0.2 -4,-2.5 -38,-0.1 -1,-0.3 -0.653 37.2-161.2-102.2 164.0 37.8 89.9 40.7 227 230 A M E -F 221 0E 2 -40,-2.0 2,-0.3 -6,-0.2 -6,-0.2 -0.906 9.5-157.6-136.8 163.5 38.2 91.0 44.3 228 231 A M E -F 220 0E 0 -8,-2.1 -8,-2.6 -2,-0.3 -40,-0.0 -0.985 22.6-126.0-135.8 139.5 37.9 89.7 47.9 229 232 A L > - 0 0 13 -2,-0.3 4,-2.6 -10,-0.2 3,-0.4 -0.433 33.4-106.4 -70.9 157.2 37.5 91.7 51.0 230 233 A P H > S+ 0 0 20 0, 0.0 4,-1.8 0, 0.0 -85,-0.2 0.901 124.4 52.8 -51.7 -39.2 39.9 91.1 53.9 231 234 A T H 4 S+ 0 0 13 -87,-1.6 4,-0.4 1,-0.2 -86,-0.1 0.827 108.4 49.9 -69.3 -30.6 37.1 89.3 55.7 232 235 A D H >4 S+ 0 0 0 -3,-0.4 3,-1.7 -88,-0.2 4,-0.2 0.919 110.8 48.9 -65.0 -48.7 36.5 87.0 52.7 233 236 A Y H >X S+ 0 0 43 -4,-2.6 3,-2.3 1,-0.3 4,-1.1 0.832 96.7 71.6 -64.0 -28.1 40.2 86.2 52.4 234 237 A S H 3X S+ 0 0 0 -4,-1.8 4,-2.1 1,-0.3 -1,-0.3 0.787 84.0 70.8 -59.2 -22.6 40.3 85.4 56.1 235 238 A L H <4 S+ 0 0 0 -3,-1.7 10,-0.3 -4,-0.4 -1,-0.3 0.662 105.9 36.8 -71.4 -17.3 38.3 82.3 55.2 236 239 A I H <4 S+ 0 0 34 -3,-2.3 -1,-0.2 -4,-0.2 -2,-0.2 0.528 112.1 58.4-109.0 -5.5 41.4 80.8 53.6 237 240 A Q H < S+ 0 0 111 -4,-1.1 -2,-0.2 -3,-0.1 -3,-0.1 0.818 96.1 69.7 -83.7 -33.3 43.9 82.2 56.1 238 241 A D S X S- 0 0 16 -4,-2.1 4,-2.5 -5,-0.2 5,-0.2 -0.726 79.3-143.9 -85.9 126.3 42.2 80.5 59.0 239 242 A P H > S+ 0 0 92 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.804 97.6 52.2 -68.5 -25.5 42.7 76.7 58.8 240 243 A K H > S+ 0 0 125 2,-0.2 4,-1.1 1,-0.2 5,-0.1 0.930 114.0 42.2 -71.2 -45.5 39.3 75.9 60.2 241 244 A Y H > S+ 0 0 0 1,-0.2 4,-2.6 -7,-0.2 3,-0.3 0.899 108.9 61.2 -63.9 -37.9 37.5 78.1 57.6 242 245 A L H X S+ 0 0 39 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.902 99.5 54.1 -59.1 -42.9 39.8 76.8 54.9 243 246 A S H X S+ 0 0 80 -4,-1.5 4,-1.7 1,-0.2 -1,-0.2 0.899 111.3 45.9 -56.1 -39.9 38.7 73.2 55.3 244 247 A I H X S+ 0 0 14 -4,-1.1 4,-2.5 -3,-0.3 5,-0.2 0.908 108.3 55.1 -75.6 -38.9 35.1 74.3 54.8 245 248 A V H X S+ 0 0 0 -4,-2.6 4,-2.5 -10,-0.3 -2,-0.2 0.925 108.8 49.6 -53.2 -47.6 35.8 76.5 51.9 246 249 A K H X S+ 0 0 100 -4,-2.6 4,-1.0 2,-0.2 -1,-0.2 0.894 107.9 54.1 -59.8 -41.0 37.4 73.5 50.2 247 250 A E H >< S+ 0 0 63 -4,-1.7 3,-0.7 -5,-0.2 4,-0.4 0.945 112.6 42.1 -58.2 -48.0 34.3 71.4 51.0 248 251 A Y H >< S+ 0 0 1 -4,-2.5 3,-0.8 1,-0.3 7,-0.2 0.861 109.7 57.3 -72.1 -33.0 32.0 73.9 49.3 249 252 A A H 3< S+ 0 0 8 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.733 114.9 40.7 -63.6 -23.0 34.3 74.5 46.4 250 253 A N T << S+ 0 0 133 -4,-1.0 -1,-0.2 -3,-0.7 2,-0.2 0.356 117.9 43.5-108.9 3.8 34.1 70.7 45.8 251 254 A D <> - 0 0 73 -3,-0.8 4,-2.2 -4,-0.4 -1,-0.2 -0.700 53.0-179.6-154.5 91.0 30.4 70.1 46.4 252 255 A Q H > S+ 0 0 123 -2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.871 87.1 52.7 -59.2 -40.4 27.8 72.4 45.0 253 256 A D H > S+ 0 0 98 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.920 108.3 50.6 -66.6 -38.1 24.9 70.5 46.4 254 257 A K H > S+ 0 0 56 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.914 110.4 49.4 -65.7 -42.3 26.4 70.6 49.9 255 258 A F H X S+ 0 0 0 -4,-2.2 4,-3.2 -7,-0.2 5,-0.3 0.937 111.3 50.3 -59.6 -47.7 26.9 74.3 49.6 256 259 A F H X S+ 0 0 47 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.930 113.3 45.2 -55.7 -48.4 23.3 74.8 48.5 257 260 A K H X S+ 0 0 112 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.913 116.3 44.3 -65.5 -41.4 21.9 72.7 51.4 258 261 A D H X S+ 0 0 22 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.888 113.1 51.2 -73.2 -36.8 24.0 74.4 54.0 259 262 A F H X S+ 0 0 1 -4,-3.2 4,-3.1 -5,-0.3 5,-0.3 0.922 107.8 53.5 -59.5 -46.9 23.4 77.8 52.7 260 263 A S H X S+ 0 0 16 -4,-2.3 4,-2.3 -5,-0.3 5,-0.2 0.921 111.8 44.4 -55.0 -47.4 19.7 77.2 52.7 261 264 A K H X S+ 0 0 151 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.915 116.1 45.9 -63.2 -47.6 19.7 76.2 56.3 262 265 A A H X S+ 0 0 2 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.879 113.4 48.8 -66.3 -37.4 21.9 79.0 57.4 263 266 A F H X S+ 0 0 3 -4,-3.1 4,-2.4 2,-0.2 -1,-0.2 0.902 111.5 48.8 -71.9 -41.2 20.0 81.7 55.5 264 267 A E H X S+ 0 0 31 -4,-2.3 4,-1.0 -5,-0.3 -2,-0.2 0.949 112.3 50.3 -59.7 -44.6 16.7 80.5 56.8 265 268 A K H >X S+ 0 0 54 -4,-2.4 4,-1.6 1,-0.2 3,-0.9 0.920 109.5 50.2 -58.6 -47.1 18.1 80.5 60.3 266 269 A L H 3< S+ 0 0 2 -4,-2.4 3,-0.5 1,-0.3 -203,-0.3 0.930 111.6 48.4 -54.8 -46.4 19.5 84.1 59.8 267 270 A L H 3< S+ 0 0 3 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.611 116.2 44.2 -71.5 -14.9 16.1 85.3 58.6 268 271 A E H X< S+ 0 0 35 -4,-1.0 3,-2.2 -3,-0.9 -1,-0.2 0.498 78.4 128.2-112.0 -8.6 14.3 83.6 61.6 269 272 A N T 3< S+ 0 0 17 -4,-1.6 -206,-0.5 -3,-0.5 -205,-0.4 -0.289 78.6 18.7 -50.1 135.9 16.7 84.6 64.6 270 273 A G T 3 S+ 0 0 17 1,-0.2 -267,-0.6 -208,-0.1 2,-0.4 0.197 97.9 114.5 90.0 -10.3 14.7 86.1 67.3 271 274 A I E < -a 3 0A 17 -3,-2.2 2,-0.6 -269,-0.1 -1,-0.2 -0.815 52.2-150.6-101.3 132.1 11.3 84.8 66.2 272 275 A T E -a 4 0A 70 -269,-3.2 -267,-2.8 -2,-0.4 -3,-0.0 -0.917 11.5-155.1 -96.6 120.8 9.3 82.4 68.3 273 276 A F - 0 0 40 -2,-0.6 -267,-0.1 -269,-0.2 -269,-0.1 -0.875 20.6-122.9 -96.6 116.9 7.0 80.2 66.1 274 277 A P > - 0 0 42 0, 0.0 3,-1.8 0, 0.0 -1,-0.0 -0.191 25.6-110.7 -52.6 152.8 4.0 78.9 67.9 275 278 A K T 3 S+ 0 0 212 1,-0.3 -2,-0.0 0, 0.0 0, 0.0 0.753 119.7 46.5 -57.2 -29.0 3.6 75.1 67.9 276 279 A D T 3 S+ 0 0 129 2,-0.0 -1,-0.3 3,-0.0 3,-0.1 0.134 83.2 124.4-104.9 18.3 0.6 75.4 65.6 277 280 A A S < S- 0 0 23 -3,-1.8 -4,-0.1 1,-0.1 -151,-0.0 -0.387 74.8 -87.1 -63.9 156.3 2.1 77.9 63.2 278 281 A P - 0 0 54 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.287 48.3-101.9 -59.4 150.6 2.1 76.9 59.6 279 282 A S - 0 0 94 1,-0.1 -156,-0.1 -3,-0.1 -3,-0.0 -0.319 55.9 -76.6 -59.7 157.8 5.0 74.8 58.4 280 283 A P - 0 0 52 0, 0.0 2,-0.4 0, 0.0 -156,-0.2 -0.331 50.5-123.2 -57.8 143.9 7.6 76.7 56.4 281 284 A F B -C 123 0C 21 -158,-3.2 -158,-2.3 -3,-0.1 2,-0.6 -0.708 14.4-157.6 -89.6 140.5 6.6 77.5 52.8 282 285 A I - 0 0 89 -2,-0.4 2,-0.2 -160,-0.2 -162,-0.0 -0.952 20.9-147.3-115.6 108.1 8.7 76.5 49.8 283 286 A F - 0 0 0 -2,-0.6 2,-0.2 -162,-0.3 -162,-0.1 -0.522 9.2-124.4 -76.1 142.2 7.9 78.8 47.0 284 287 A K - 0 0 100 -2,-0.2 -1,-0.1 1,-0.1 2,-0.1 -0.585 28.8-120.1 -76.1 141.0 7.9 77.6 43.4 285 288 A T > - 0 0 16 -2,-0.2 4,-1.6 1,-0.1 6,-0.2 -0.337 25.6-107.4 -71.3 166.4 10.1 79.7 41.1 286 289 A L H >>S+ 0 0 0 1,-0.2 5,-2.6 2,-0.2 4,-0.6 0.940 123.0 54.1 -55.8 -43.8 8.5 81.5 38.1 287 290 A E H >45S+ 0 0 150 1,-0.2 3,-1.1 2,-0.2 -1,-0.2 0.908 105.5 50.7 -57.7 -44.6 10.2 78.9 35.9 288 291 A E H 345S+ 0 0 117 1,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.841 112.1 48.7 -64.1 -28.1 8.6 76.0 37.8 289 292 A Q H 3<5S- 0 0 58 -4,-1.6 -1,-0.2 -3,-0.4 -2,-0.2 0.500 113.1-116.6 -85.1 -7.2 5.2 77.7 37.4 290 293 A G T <<5 0 0 71 -3,-1.1 -3,-0.2 -4,-0.6 -2,-0.1 0.741 360.0 360.0 74.8 20.2 5.7 78.3 33.7 291 294 A L < 0 0 103 -5,-2.6 -1,-0.3 -6,-0.2 -2,-0.1 -0.603 360.0 360.0-104.9 360.0 5.5 82.0 34.3