==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 06-MAY-11 3AYF . COMPND 2 MOLECULE: NITRIC OXIDE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS STEAROTHERMOPHILUS; . AUTHOR Y.MATSUMOTO,T.TOSHA,A.V.PISLIAKOV,T.HINO,H.SUGIMOTI,S.NAGANO . 754 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29040.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 602 79.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 21 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 19 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 101 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 416 55.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 3.2 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 2 4 1 1 1 0 0 1 2 2 0 2 2 2 0 2 2 0 0 0 0 0 0 0 4 1 2 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 5 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 17 A T > 0 0 166 0, 0.0 3,-1.2 0, 0.0 442,-0.0 0.000 360.0 360.0 360.0 44.1 1.9 0.3 26.5 2 18 A T T 3 + 0 0 96 1,-0.2 3,-0.2 2,-0.1 441,-0.0 0.847 360.0 11.0 -49.1 -58.3 1.4 1.9 23.0 3 19 A N T 3> S+ 0 0 24 1,-0.2 4,-2.1 2,-0.1 -1,-0.2 -0.216 82.1 145.9-118.8 50.6 4.8 1.6 21.2 4 20 A S H <> + 0 0 67 -3,-1.2 4,-2.2 1,-0.2 5,-0.2 0.851 67.3 45.0 -52.4 -51.3 6.6 -0.7 23.6 5 21 A F H > S+ 0 0 151 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.960 112.6 52.0 -63.7 -47.3 8.8 -2.7 21.4 6 22 A L H > S+ 0 0 25 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.880 111.0 50.1 -54.1 -37.8 10.0 0.3 19.5 7 23 A K H X S+ 0 0 41 -4,-2.1 4,-3.2 2,-0.2 5,-0.3 0.905 108.7 49.8 -68.0 -42.0 10.8 1.9 22.8 8 24 A S H X S+ 0 0 66 -4,-2.2 4,-3.7 2,-0.2 5,-0.3 0.953 113.0 48.3 -60.5 -49.6 12.8 -1.0 24.1 9 25 A I H X S+ 0 0 60 -4,-2.8 4,-3.2 2,-0.2 -2,-0.2 0.938 114.7 44.0 -57.0 -50.5 14.7 -1.1 20.8 10 26 A L H X S+ 0 0 17 -4,-2.7 4,-2.8 -5,-0.2 5,-0.2 0.944 117.5 45.0 -61.0 -49.7 15.5 2.6 20.9 11 27 A I H X S+ 0 0 102 -4,-3.2 4,-2.7 2,-0.2 -2,-0.2 0.940 116.0 46.6 -59.4 -49.0 16.4 2.6 24.6 12 28 A F H X S+ 0 0 130 -4,-3.7 4,-3.0 -5,-0.3 5,-0.3 0.931 111.3 52.9 -59.3 -45.2 18.5 -0.5 24.2 13 29 A T H X S+ 0 0 25 -4,-3.2 4,-2.2 -5,-0.3 5,-0.3 0.934 112.0 44.4 -56.3 -49.0 20.1 1.0 21.1 14 30 A I H X S+ 0 0 73 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.899 114.9 50.1 -63.1 -40.4 21.1 4.1 23.0 15 31 A L H X S+ 0 0 108 -4,-2.7 4,-1.6 -5,-0.2 -2,-0.2 0.937 114.6 40.7 -64.0 -51.4 22.3 2.1 25.9 16 32 A I H X S+ 0 0 79 -4,-3.0 4,-2.3 2,-0.2 -2,-0.2 0.920 117.1 46.9 -65.3 -48.6 24.5 -0.3 24.1 17 33 A S H X S+ 0 0 6 -4,-2.2 4,-2.4 -5,-0.3 -1,-0.2 0.911 109.9 53.8 -63.8 -41.5 26.0 2.2 21.6 18 34 A S H X S+ 0 0 49 -4,-2.0 4,-2.6 -5,-0.3 -1,-0.2 0.911 108.9 50.6 -59.1 -39.9 26.7 4.7 24.4 19 35 A T H X S+ 0 0 74 -4,-1.6 4,-3.7 2,-0.2 5,-0.3 0.973 108.5 50.1 -61.5 -55.5 28.6 2.0 26.3 20 36 A V H X S+ 0 0 46 -4,-2.3 4,-3.1 1,-0.2 5,-0.2 0.907 111.3 49.8 -49.9 -45.7 30.7 1.0 23.3 21 37 A L H X S+ 0 0 3 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.971 113.9 45.1 -58.2 -53.7 31.6 4.7 22.8 22 38 A L H X S+ 0 0 93 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.921 114.0 48.6 -57.5 -46.5 32.6 5.1 26.5 23 39 A V H X S+ 0 0 57 -4,-3.7 4,-2.4 1,-0.2 3,-0.5 0.970 114.4 45.7 -58.3 -50.7 34.5 1.8 26.5 24 40 A G H X S+ 0 0 0 -4,-3.1 4,-1.3 -5,-0.3 -1,-0.2 0.787 109.7 55.9 -61.5 -27.6 36.3 2.9 23.3 25 41 A G H X S+ 0 0 4 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.3 0.841 108.7 47.8 -71.8 -32.5 36.8 6.3 24.9 26 42 A Y H X S+ 0 0 139 -4,-2.0 4,-2.0 -3,-0.5 -2,-0.2 0.894 107.4 54.2 -73.8 -40.9 38.5 4.6 27.8 27 43 A W H X S+ 0 0 91 -4,-2.4 4,-0.9 2,-0.2 -1,-0.2 0.823 109.2 50.7 -62.4 -31.6 40.7 2.4 25.5 28 44 A I H >X S+ 0 0 0 -4,-1.3 4,-3.0 2,-0.2 3,-1.4 0.980 107.9 49.2 -68.6 -58.1 41.9 5.6 23.9 29 45 A F H 3< S+ 0 0 131 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.853 118.6 43.0 -48.0 -39.1 42.8 7.4 27.1 30 46 A K H 3< S+ 0 0 113 -4,-2.0 -1,-0.3 1,-0.1 -2,-0.2 0.594 124.8 31.5 -86.7 -13.1 44.7 4.3 28.1 31 47 A E H << S+ 0 0 80 -3,-1.4 -2,-0.2 -4,-0.9 -3,-0.2 0.515 87.5 111.6-124.3 -4.9 46.4 3.6 24.7 32 48 A M S < S- 0 0 22 -4,-3.0 512,-0.1 1,-0.2 511,-0.1 -0.165 84.7 -75.1 -62.7 162.3 47.0 7.0 23.2 33 49 A A - 0 0 0 510,-0.3 -1,-0.2 177,-0.1 442,-0.1 -0.351 55.6-117.8 -63.8 140.7 50.6 8.2 22.9 34 50 A P - 0 0 21 0, 0.0 -1,-0.1 0, 0.0 164,-0.1 -0.358 4.0-140.4 -79.8 156.5 52.2 9.3 26.2 35 51 A R - 0 0 46 -2,-0.1 15,-0.1 96,-0.0 19,-0.1 -0.742 32.2-145.6-115.7 77.3 53.5 12.8 27.1 36 52 A P - 0 0 3 0, 0.0 95,-0.2 0, 0.0 3,-0.2 0.004 14.7-127.3 -43.1 143.9 56.6 11.7 29.1 37 53 A K S S+ 0 0 109 93,-2.4 13,-0.6 1,-0.3 14,-0.4 0.852 98.2 10.7 -64.2 -33.6 57.6 13.9 32.1 38 54 A E E -Ab 49 131A 59 92,-1.0 94,-1.6 11,-0.3 2,-0.4 -0.975 62.9-170.0-149.3 130.6 61.1 14.1 30.5 39 55 A V E +Ab 48 132A 7 9,-2.6 8,-2.8 -2,-0.3 9,-2.0 -0.964 31.4 159.4-116.0 136.3 62.3 13.1 27.1 40 56 A R E -Ab 46 133A 70 92,-2.3 94,-2.0 -2,-0.4 6,-0.3 -0.905 34.8 -82.5-151.9-180.0 66.1 13.2 26.8 41 57 A S > - 0 0 11 4,-2.6 3,-1.1 -2,-0.3 94,-0.1 -0.081 45.6-100.5 -79.3 177.9 69.4 12.2 25.2 42 58 A E T 3 S+ 0 0 126 92,-0.3 -1,-0.1 1,-0.3 93,-0.1 0.701 125.8 59.7 -71.2 -20.8 71.6 9.1 25.6 43 59 A S T 3 S- 0 0 96 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.526 125.2-108.1 -82.4 -7.4 73.8 11.3 27.8 44 60 A G < + 0 0 42 -3,-1.1 2,-0.6 1,-0.3 -2,-0.1 0.515 68.4 152.7 91.5 7.7 70.7 11.7 30.0 45 61 A E - 0 0 117 1,-0.1 -4,-2.6 -5,-0.0 -1,-0.3 -0.611 40.9-134.6 -77.4 117.2 70.1 15.3 28.9 46 62 A V E +A 40 0A 66 -2,-0.6 -6,-0.3 -6,-0.3 3,-0.1 -0.507 33.9 163.5 -73.4 132.0 66.5 16.3 29.1 47 63 A L E + 0 0 30 -8,-2.8 2,-0.3 1,-0.3 -7,-0.2 0.613 65.2 36.1-115.4 -28.1 65.2 18.3 26.1 48 64 A M E -A 39 0A 7 -9,-2.0 -9,-2.6 4,-0.0 2,-0.3 -0.961 56.4-168.7-135.3 146.6 61.5 17.9 26.7 49 65 A T E >> -A 38 0A 42 -2,-0.3 4,-2.0 -11,-0.3 3,-1.8 -0.948 40.3-114.0-130.1 149.6 59.0 17.8 29.6 50 66 A K H 3> S+ 0 0 62 -13,-0.6 4,-2.2 -2,-0.3 5,-0.1 0.857 123.2 57.5 -49.0 -31.7 55.3 16.8 29.6 51 67 A E H 3> S+ 0 0 102 -14,-0.4 4,-1.1 2,-0.2 -1,-0.3 0.792 103.5 50.2 -70.7 -30.4 55.0 20.5 30.5 52 68 A T H X> S+ 0 0 15 -3,-1.8 4,-3.3 2,-0.2 3,-0.7 0.978 110.6 48.3 -68.5 -57.9 56.8 21.6 27.4 53 69 A I H 3X S+ 0 0 3 -4,-2.0 4,-2.5 1,-0.3 5,-0.2 0.899 112.1 49.7 -47.1 -48.7 54.6 19.4 25.1 54 70 A I H 3X S+ 0 0 25 -4,-2.2 4,-1.5 -5,-0.3 -1,-0.3 0.831 113.5 48.5 -62.2 -31.3 51.5 20.7 26.9 55 71 A G H X S+ 0 0 0 -4,-3.3 4,-2.0 131,-0.4 3,-0.5 0.964 112.2 49.0 -53.6 -53.0 53.7 23.9 22.6 57 73 A Q H 3X S+ 0 0 7 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.904 109.0 55.9 -51.7 -42.8 50.2 22.5 22.1 58 74 A A H 3X S+ 0 0 0 -4,-1.5 4,-3.1 1,-0.2 -1,-0.2 0.849 106.7 45.9 -61.7 -39.2 48.9 25.5 24.1 59 75 A V H S+ 0 0 3 -4,-2.0 5,-2.1 -5,-0.3 6,-0.4 0.900 113.7 38.0 -62.1 -42.0 49.4 26.3 18.8 61 77 A Q H ><5S+ 0 0 3 -4,-1.9 3,-2.7 3,-0.2 -2,-0.2 0.937 111.6 60.0 -72.5 -48.4 45.8 26.8 20.2 62 78 A K H 3<5S+ 0 0 6 -4,-3.1 341,-0.3 1,-0.3 -2,-0.2 0.889 109.4 42.1 -45.0 -50.5 46.6 30.3 21.4 63 79 A Y T 3<5S- 0 0 5 -4,-2.8 -1,-0.3 341,-0.1 -2,-0.2 0.194 109.0-123.6 -86.7 18.0 47.5 31.5 17.9 64 80 A G T X 5 + 0 0 0 -3,-2.7 3,-1.2 339,-0.3 -3,-0.2 0.848 55.2 155.3 42.1 45.5 44.5 29.6 16.3 65 81 A L G >>< + 0 0 4 -5,-2.1 4,-2.5 1,-0.3 3,-1.1 0.564 61.0 72.9 -76.8 -8.2 46.8 27.7 14.0 66 82 A M G 34 S+ 0 0 0 -6,-0.4 10,-1.1 1,-0.3 -1,-0.3 0.605 92.1 58.1 -80.1 -10.3 44.2 24.9 13.7 67 83 A D G <4 S+ 0 0 0 -3,-1.2 263,-0.3 8,-0.2 -1,-0.3 0.156 115.4 35.7-100.9 16.2 42.2 27.4 11.6 68 84 A Y T <4 S- 0 0 3 -3,-1.1 11,-3.8 1,-0.5 10,-0.8 0.568 128.5 -4.0-129.6 -55.6 45.2 27.6 9.2 69 85 A G S < S- 0 0 0 -4,-2.5 7,-2.1 9,-0.2 -1,-0.5 -0.481 72.3-111.5-125.2-160.5 46.8 24.2 9.0 70 86 A T E -De 75 81B 0 10,-2.4 12,-2.3 5,-0.3 2,-0.3 -0.811 8.0-154.0-133.1 172.6 46.4 20.8 10.6 71 87 A V E > S+D 74 0B 0 3,-1.7 3,-1.8 -2,-0.3 10,-0.0 -0.956 90.7 2.8-147.3 131.3 48.1 18.4 13.0 72 88 A L T 3 S- 0 0 0 -2,-0.3 469,-0.1 1,-0.3 3,-0.1 0.839 133.2 -63.2 57.0 32.3 47.4 14.7 12.8 73 89 A G T 3 S+ 0 0 3 1,-0.2 2,-0.4 549,-0.1 -1,-0.3 0.403 111.0 113.7 77.5 -2.2 45.2 15.6 9.8 74 90 A H E < +D 71 0B 14 -3,-1.8 -3,-1.7 547,-0.1 2,-0.3 -0.837 54.9 36.1-105.4 141.3 42.7 17.7 11.7 75 91 A G E S-D 70 0B 1 -2,-0.4 -5,-0.3 -5,-0.2 -8,-0.2 -0.854 94.1 -19.9 124.0-159.1 42.3 21.4 11.2 76 92 A S - 0 0 0 -7,-2.1 -8,-0.2 -10,-1.1 -9,-0.1 -0.321 39.9-144.0 -86.6 167.5 42.6 23.8 8.1 77 93 A Y S S+ 0 0 23 -8,-0.1 -8,-0.2 -10,-0.1 547,-0.1 0.418 80.5 85.1-114.8 3.2 44.2 23.3 4.8 78 94 A M S S+ 0 0 2 -10,-0.8 -9,-0.2 -9,-0.1 630,-0.1 0.953 99.9 40.4 -65.1 -47.4 45.6 26.7 3.8 79 95 A G S S- 0 0 0 -11,-3.8 2,-0.1 1,-0.2 -10,-0.1 -0.079 100.7 -96.6 -85.2-169.7 48.7 25.8 5.8 80 96 A P - 0 0 6 0, 0.0 -10,-2.4 0, 0.0 2,-0.7 -0.210 39.8 -89.3 -97.0-168.5 50.4 22.4 5.9 81 97 A D B > -e 70 0B 1 -12,-0.2 4,-3.1 619,-0.2 5,-0.2 -0.925 32.3-157.6-105.7 111.0 50.1 19.5 8.3 82 98 A Y H > S+ 0 0 2 -12,-2.3 4,-3.4 -2,-0.7 5,-0.3 0.819 89.5 57.4 -57.2 -33.6 52.7 20.1 11.0 83 99 A T H > S+ 0 0 0 -13,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.973 115.0 35.4 -63.2 -53.6 52.8 16.5 12.0 84 100 A A H > S+ 0 0 3 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.883 122.3 47.4 -67.5 -39.0 53.8 15.3 8.5 85 101 A E H X S+ 0 0 34 -4,-3.1 4,-2.1 2,-0.2 3,-0.2 0.952 114.9 44.3 -67.1 -50.2 55.9 18.4 7.9 86 102 A A H X S+ 0 0 0 -4,-3.4 4,-2.4 1,-0.2 -2,-0.2 0.841 111.2 56.7 -61.6 -34.3 57.7 18.2 11.3 87 103 A L H X S+ 0 0 1 -4,-2.0 4,-2.0 -5,-0.3 -1,-0.2 0.864 106.3 49.5 -66.7 -36.9 58.1 14.5 10.7 88 104 A K H X S+ 0 0 57 -4,-1.6 4,-4.1 -3,-0.2 5,-0.3 0.964 111.9 45.9 -67.9 -51.4 59.9 15.1 7.4 89 105 A V H X S+ 0 0 23 -4,-2.1 4,-2.9 1,-0.2 5,-0.2 0.948 115.8 47.0 -55.0 -50.9 62.3 17.6 8.8 90 106 A Y H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.860 116.5 44.7 -58.8 -38.0 63.0 15.4 11.8 91 107 A T H X S+ 0 0 0 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.910 111.7 51.9 -72.9 -43.6 63.4 12.4 9.4 92 108 A E H X S+ 0 0 63 -4,-4.1 4,-2.4 1,-0.2 -2,-0.2 0.901 110.1 50.8 -58.7 -43.0 65.6 14.4 7.0 93 109 A G H X S+ 0 0 0 -4,-2.9 4,-3.3 -5,-0.3 5,-0.3 0.924 105.5 53.7 -61.9 -45.9 67.8 15.4 9.9 94 110 A M H X S+ 0 0 0 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.827 109.0 52.4 -58.7 -29.5 68.2 11.8 11.0 95 111 A Q H X S+ 0 0 3 -4,-1.5 4,-0.9 2,-0.2 -2,-0.2 0.967 111.1 44.0 -70.6 -52.0 69.3 11.1 7.5 96 112 A D H >< S+ 0 0 72 -4,-2.4 3,-0.7 2,-0.2 4,-0.3 0.935 112.1 53.1 -57.7 -49.2 71.9 13.9 7.5 97 113 A Y H >< S+ 0 0 102 -4,-3.3 3,-1.2 1,-0.3 -1,-0.2 0.931 116.0 38.7 -52.8 -50.3 73.2 12.9 11.0 98 114 A K H 3< S+ 0 0 67 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.600 104.7 74.2 -75.3 -9.4 73.7 9.3 9.9 99 115 A A T << 0 0 32 -4,-0.9 -1,-0.2 -3,-0.7 -2,-0.2 0.473 360.0 360.0 -81.4 -2.8 74.9 10.8 6.6 100 116 A K < 0 0 229 -3,-1.2 -1,-0.1 -4,-0.3 -4,-0.0 -0.893 360.0 360.0-109.5 360.0 78.1 11.8 8.3 101 ! 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 0.0 102 124 A A 0 0 97 0, 0.0 -6,-0.0 0, 0.0 7,-0.0 0.000 360.0 360.0 360.0 9.2 71.8 14.7 -0.3 103 125 A D + 0 0 159 2,-0.1 6,-0.0 6,-0.0 0, 0.0 0.503 360.0 110.7-115.2 -10.7 75.0 13.9 -2.1 104 126 A L S S- 0 0 47 1,-0.1 -5,-0.0 4,-0.1 2,-0.0 -0.060 75.8 -94.4 -62.0 165.6 75.2 10.1 -1.5 105 127 A T > - 0 0 81 1,-0.1 4,-4.5 4,-0.0 5,-0.4 -0.268 30.8-113.2 -74.9 167.2 74.7 7.5 -4.2 106 128 A D H > S+ 0 0 137 2,-0.2 4,-1.2 1,-0.2 -1,-0.1 0.876 126.7 49.9 -68.0 -35.2 71.3 6.0 -4.8 107 129 A D H > S+ 0 0 128 2,-0.2 4,-0.8 1,-0.1 -1,-0.2 0.766 118.8 41.6 -70.0 -24.9 72.9 2.8 -3.6 108 130 A E H > S+ 0 0 100 2,-0.2 4,-1.9 1,-0.1 3,-0.4 0.924 111.6 47.2 -89.4 -52.9 74.2 4.9 -0.7 109 131 A K H X S+ 0 0 39 -4,-4.5 4,-2.7 1,-0.2 5,-0.3 0.819 108.8 64.5 -58.7 -26.6 71.2 7.1 0.3 110 132 A S H X S+ 0 0 58 -4,-1.2 4,-1.7 -5,-0.4 -1,-0.2 0.945 101.3 45.8 -59.1 -52.5 69.4 3.8 0.1 111 133 A I H X S+ 0 0 106 -4,-0.8 4,-1.4 -3,-0.4 -2,-0.2 0.928 115.9 45.9 -58.7 -49.2 71.4 2.2 3.0 112 134 A I H >X S+ 0 0 12 -4,-1.9 4,-2.5 2,-0.2 3,-0.7 0.958 110.3 49.7 -61.0 -55.9 71.0 5.3 5.2 113 135 A R H 3X S+ 0 0 93 -4,-2.7 4,-1.1 1,-0.3 -1,-0.2 0.848 112.1 51.8 -52.5 -34.6 67.3 5.9 4.7 114 136 A E H 3X S+ 0 0 91 -4,-1.7 4,-1.8 -5,-0.3 -1,-0.3 0.829 108.6 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2,-0.2 5,-0.2 0.915 108.7 43.6 -49.7 -57.5 45.7 15.8 22.0 475 497 A T H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.874 116.2 48.6 -61.2 -35.5 44.1 12.5 20.9 476 498 A M H > S+ 0 0 14 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.890 113.6 46.1 -71.5 -38.1 41.9 12.4 24.1 477 499 A A H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.876 111.5 52.1 -70.1 -36.7 40.8 16.0 23.7 478 500 A D H X S+ 0 0 0 -4,-2.7 4,-2.1 -5,-0.3 -2,-0.2 0.888 102.0 62.1 -64.8 -37.8 40.1 15.4 20.0 479 501 A F H X S+ 0 0 1 -4,-1.9 4,-0.5 -5,-0.2 -1,-0.2 0.946 110.1 38.7 -52.0 -51.5 38.0 12.4 21.2 480 502 A W H >X S+ 0 0 34 -4,-1.5 3,-1.0 1,-0.2 4,-0.9 0.833 106.6 65.3 -71.2 -32.7 35.7 14.7 23.1 481 503 A R H >X S+ 0 0 1 -4,-2.3 4,-2.0 1,-0.3 3,-1.2 0.914 99.0 54.6 -56.6 -40.7 35.8 17.4 20.4 482 504 A W H 3X>S+ 0 0 20 -4,-2.1 4,-1.9 1,-0.3 5,-1.4 0.753 93.3 68.2 -66.9 -21.7 34.0 15.0 18.0 483 505 A W H <<>S+ 0 0 14 -3,-1.0 5,-1.9 -4,-0.5 -1,-0.3 0.846 109.9 38.8 -63.6 -29.4 31.2 14.5 20.5 484 506 A I H <<>S+ 0 0 5 -3,-1.2 5,-2.3 -4,-0.9 -2,-0.2 0.878 123.7 37.2 -86.2 -41.9 30.4 18.1 19.7 485 507 A I H <5S+ 0 0 15 -4,-2.0 5,-0.4 3,-0.2 -3,-0.2 0.970 131.8 24.1 -74.3 -56.3 31.1 18.1 16.0 486 508 A H T <5S+ 0 0 16 -4,-1.9 -3,-0.2 3,-0.1 -2,-0.1 0.831 135.2 28.3 -81.4 -38.6 29.8 14.7 15.0 487 509 A L T > S+ 0 0 63 -5,-0.4 4,-1.5 2,-0.2 -1,-0.3 0.474 109.1 56.7 -87.4 -3.3 24.1 16.5 14.2 491 513 A G H <>>S+ 0 0 29 -3,-2.4 5,-1.3 2,-0.2 4,-0.6 0.744 104.7 53.4 -92.1 -31.0 22.0 15.8 17.3 492 514 A I H <>S+ 0 0 3 -4,-2.7 5,-1.1 3,-0.2 -2,-0.2 0.900 123.8 27.9 -65.7 -38.9 20.6 19.3 17.0 493 515 A F H <5S+ 0 0 1 -4,-1.2 5,-0.4 -5,-0.3 -2,-0.2 0.772 118.7 47.1 -99.1 -28.7 19.7 18.5 13.5 494 516 A E H <5S+ 0 0 32 -4,-1.5 -3,-0.1 3,-0.1 -1,-0.1 0.452 127.5 20.8 -97.9 3.2 19.0 14.9 13.0 495 517 A V T X5S+ 0 0 24 -4,-0.6 4,-2.0 3,-0.1 5,-0.2 0.613 126.4 39.7-129.0 -55.2 16.8 14.4 16.0 496 518 A F H > S+ 0 0 30 -5,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.873 111.7 43.8 -57.8 -43.6 13.2 15.8 12.6 499 521 A V H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.870 111.6 55.9 -72.0 -33.1 10.7 15.6 15.4 500 522 A V H X S+ 0 0 0 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.878 108.7 47.6 -63.6 -38.0 9.9 19.2 14.9 501 523 A I H X S+ 0 0 17 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.881 109.8 51.3 -70.5 -39.4 9.0 18.5 11.3 502 524 A G H X S+ 0 0 2 -4,-1.9 4,-2.1 2,-0.2 5,-0.2 0.928 109.7 51.4 -62.3 -44.0 6.9 15.6 12.2 503 525 A F H X S+ 0 0 7 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.931 110.9 48.1 -56.4 -48.4 5.1 17.8 14.7 504 526 A L H X S+ 0 0 8 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.906 112.8 47.1 -59.8 -45.6 4.5 20.4 11.9 505 527 A L H <>S+ 0 0 4 -4,-2.7 5,-2.8 2,-0.2 6,-1.4 0.788 113.5 48.6 -69.3 -27.3 3.2 17.8 9.4 506 528 A V H ><5S+ 0 0 25 -4,-2.1 3,-0.7 3,-0.2 -2,-0.2 0.859 111.8 50.6 -77.7 -36.0 0.9 16.3 12.1 507 529 A Q H 3<5S+ 0 0 91 -4,-2.4 -2,-0.2 1,-0.3 -3,-0.2 0.890 106.2 52.4 -66.8 -43.4 -0.3 19.8 13.0 508 530 A L T 3<5S- 0 0 21 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.506 115.3-122.4 -71.3 -2.2 -1.1 20.7 9.4 509 531 A R T < 5S+ 0 0 143 -3,-0.7 -3,-0.2 2,-0.2 -2,-0.1 0.871 77.4 126.5 61.4 36.9 -3.0 17.5 9.5 510 532 A L S - 0 0 51 -254,-2.3 4,-2.2 -2,-0.3 -254,-0.3 -0.359 25.0-135.5 -63.9 139.2 -1.3 10.8 11.0 513 535 A K H > S+ 0 0 99 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.887 105.6 51.6 -61.3 -43.2 0.2 11.4 14.4 514 536 A K H > S+ 0 0 158 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.956 109.7 50.2 -58.5 -51.0 0.3 7.7 15.2 515 537 A S H > S+ 0 0 7 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.898 110.7 52.0 -51.7 -46.7 2.1 7.1 11.9 516 538 A T H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.893 106.0 47.6 -63.2 -47.1 4.6 9.8 12.7 517 539 A V H X S+ 0 0 7 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.885 110.9 52.4 -68.0 -35.2 5.8 8.8 16.1 518 540 A R H X S+ 0 0 52 -4,-1.7 4,-1.8 -5,-0.2 -1,-0.2 0.908 109.8 51.1 -62.6 -40.3 6.4 5.2 15.1 519 541 A A H X S+ 0 0 4 -4,-1.6 4,-2.4 -5,-0.2 -2,-0.2 0.934 106.7 52.7 -61.6 -47.5 8.5 6.5 12.2 520 542 A L H X S+ 0 0 6 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.866 106.5 54.8 -58.0 -37.5 10.6 8.7 14.5 521 543 A Y H X S+ 0 0 11 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.948 108.4 46.8 -61.4 -49.3 11.3 5.7 16.6 522 544 A F H X S+ 0 0 9 -4,-1.8 4,-2.4 1,-0.2 5,-0.2 0.918 115.4 46.6 -59.2 -46.5 12.7 3.6 13.7 523 545 A Q H X S+ 0 0 58 -4,-2.4 4,-3.3 2,-0.2 5,-0.2 0.917 110.6 50.7 -63.1 -47.1 14.8 6.5 12.5 524 546 A F H X S+ 0 0 11 -4,-2.8 4,-3.6 2,-0.2 5,-0.4 0.928 111.1 49.1 -60.4 -42.9 16.2 7.4 15.8 525 547 A T H X S+ 0 0 17 -4,-2.5 4,-2.6 -5,-0.2 -1,-0.2 0.936 117.5 39.6 -64.3 -44.7 17.2 3.8 16.5 526 548 A I H X S+ 0 0 19 -4,-2.4 4,-0.6 2,-0.2 5,-0.3 0.844 117.9 50.7 -72.9 -29.4 18.9 3.5 13.0 527 549 A L H X S+ 0 0 37 -4,-3.3 4,-2.1 -5,-0.2 3,-0.5 0.946 121.3 31.7 -70.8 -48.7 20.3 7.0 13.3 528 550 A L H X S+ 0 0 38 -4,-3.6 4,-1.4 -5,-0.2 5,-0.4 0.816 111.9 66.9 -78.0 -28.7 21.8 6.4 16.9 529 551 A G H < S+ 0 0 25 -4,-2.6 -1,-0.2 -5,-0.4 -2,-0.2 0.689 119.9 18.2 -64.7 -19.3 22.4 2.8 16.1 530 552 A S H X S+ 0 0 5 -4,-0.6 4,-2.6 -3,-0.5 29,-0.2 0.730 123.9 53.2-114.8 -47.6 25.1 3.7 13.5 531 553 A G H < S+ 0 0 9 -4,-2.1 4,-0.5 -5,-0.3 -3,-0.2 0.704 97.8 61.0 -65.8 -29.7 26.0 7.3 14.3 532 554 A V T < S+ 0 0 13 -4,-1.4 3,-0.5 -5,-0.2 -1,-0.2 0.948 120.9 26.4 -64.6 -47.8 26.9 7.1 17.9 533 555 A I T >4 S+ 0 0 8 -5,-0.4 3,-3.0 1,-0.2 -2,-0.2 0.837 109.3 73.7 -82.4 -33.1 29.7 4.6 17.3 534 556 A G G >< S+ 0 0 0 -4,-2.6 3,-2.0 21,-0.4 -1,-0.2 0.640 73.2 86.8 -53.8 -14.8 30.2 5.9 13.7 535 557 A I G > S+ 0 0 0 -4,-0.5 3,-1.8 -3,-0.5 -1,-0.3 0.829 71.9 79.7 -54.0 -30.0 31.9 8.9 15.4 536 558 A G G X + 0 0 0 -3,-3.0 3,-2.4 1,-0.3 16,-0.3 0.583 64.3 81.0 -57.1 -17.5 34.9 6.7 15.3 537 559 A H G < S+ 0 0 36 -3,-2.0 3,-0.4 15,-0.4 -1,-0.3 0.632 90.1 59.1 -68.1 -5.3 35.8 7.4 11.6 538 560 A H G < S+ 0 0 42 -3,-1.8 -1,-0.3 1,-0.2 3,-0.2 0.549 100.2 57.8 -92.9 -7.2 37.3 10.6 13.1 539 561 A Y S < S+ 0 0 1 -3,-2.4 5,-0.3 9,-0.2 -2,-0.2 0.296 72.9 100.4-104.2 8.5 39.6 8.4 15.2 540 562 A Y S S+ 0 0 3 -3,-0.4 -1,-0.2 -4,-0.2 9,-0.1 0.940 105.0 4.9 -56.0 -49.5 41.2 6.4 12.4 541 563 A Y S S+ 0 0 1 -4,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.224 97.5 98.4-127.6 18.6 44.3 8.5 12.5 542 564 A N S S- 0 0 0 -4,-0.2 -64,-0.1 -469,-0.1 -1,-0.1 0.275 110.7 -82.6 -90.9 14.4 44.3 11.0 15.4 543 565 A G S S+ 0 0 0 1,-0.3 -510,-0.3 -4,-0.2 -331,-0.1 0.310 86.7 140.1 105.3 -7.9 46.4 8.8 17.5 544 566 A S - 0 0 0 -5,-0.3 -1,-0.3 1,-0.1 -516,-0.1 -0.219 62.3 -82.5 -66.0 154.8 43.6 6.5 18.8 545 567 A P > - 0 0 3 0, 0.0 3,-2.6 0, 0.0 4,-0.3 -0.283 41.6-106.4 -62.3 147.3 44.1 2.7 19.1 546 568 A E T >> S+ 0 0 56 1,-0.3 3,-1.8 2,-0.2 4,-0.8 0.666 110.2 79.1 -42.3 -25.2 43.8 0.5 16.0 547 569 A V H 3> S+ 0 0 55 1,-0.3 4,-2.2 2,-0.2 -1,-0.3 0.796 83.2 63.3 -60.8 -28.0 40.4 -0.8 17.3 548 570 A W H <> S+ 0 0 0 -3,-2.6 4,-2.6 1,-0.2 5,-0.4 0.685 89.4 67.5 -72.9 -14.8 38.7 2.4 16.2 549 571 A I H <> S+ 0 0 0 -3,-1.8 4,-2.1 -4,-0.3 5,-0.2 0.951 109.3 36.7 -66.9 -45.7 39.5 1.6 12.6 550 572 A A H X S+ 0 0 20 -4,-0.8 4,-2.5 -3,-0.3 5,-0.3 0.961 122.0 44.4 -68.2 -54.4 37.2 -1.4 12.7 551 573 A L H X S+ 0 0 34 -4,-2.2 4,-2.1 2,-0.2 5,-0.3 0.905 118.9 42.8 -56.5 -49.9 34.6 0.3 15.0 552 574 A G H X S+ 0 0 0 -4,-2.6 4,-2.5 -16,-0.3 5,-0.4 0.964 114.5 48.3 -64.8 -53.1 34.6 3.5 13.1 553 575 A A H X S+ 0 0 0 -4,-2.1 4,-1.5 -5,-0.4 -2,-0.2 0.918 115.6 44.6 -54.4 -48.0 34.6 2.0 9.6 554 576 A V H X S+ 0 0 14 -4,-2.5 4,-1.3 -5,-0.2 -1,-0.2 0.947 118.1 40.1 -64.9 -50.9 31.8 -0.4 10.3 555 577 A F H < S+ 0 0 50 -4,-2.1 4,-0.4 -5,-0.3 -21,-0.4 0.808 113.8 51.1 -73.1 -31.0 29.4 2.0 12.1 556 578 A S H >< S+ 0 0 5 -4,-2.5 3,-1.5 -5,-0.3 4,-0.4 0.905 107.2 56.1 -71.8 -35.4 29.9 5.1 10.0 557 579 A A H >< S+ 0 0 0 -4,-1.5 3,-1.4 -5,-0.4 4,-0.3 0.889 102.3 56.4 -61.2 -35.6 29.2 2.9 6.9 558 580 A L T >< S+ 0 0 20 -4,-1.3 3,-1.2 1,-0.3 -1,-0.3 0.667 88.2 77.5 -70.7 -13.6 25.9 2.0 8.5 559 581 A E T <> S+ 0 0 50 -3,-1.5 4,-0.7 -4,-0.4 -1,-0.3 0.742 82.4 67.9 -65.2 -22.7 25.0 5.7 8.7 560 582 A V H <> S+ 0 0 25 -3,-1.4 4,-1.0 -4,-0.4 -1,-0.2 0.741 83.1 74.5 -67.4 -27.0 24.2 5.5 5.0 561 583 A I H X> S+ 0 0 9 -3,-1.2 3,-1.1 -4,-0.3 4,-0.9 0.942 95.5 45.2 -56.3 -53.7 21.2 3.3 5.6 562 584 A P H >4 S+ 0 0 9 0, 0.0 3,-0.6 0, 0.0 -1,-0.2 0.876 109.3 62.6 -58.2 -33.2 18.9 6.0 7.0 563 585 A L H 3< S+ 0 0 15 -4,-0.7 4,-0.5 1,-0.2 3,-0.4 0.706 96.0 54.9 -64.1 -28.0 20.1 8.1 4.0 564 586 A T H << S+ 0 0 56 -3,-1.1 2,-0.8 -4,-1.0 4,-0.5 0.765 93.5 67.6 -81.3 -23.2 18.8 5.9 1.3 565 587 A L S << S+ 0 0 13 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.1 -0.171 95.5 73.0 -83.6 43.7 15.3 6.0 2.7 566 588 A L S >> S+ 0 0 22 -2,-0.8 4,-3.3 -3,-0.4 3,-2.2 0.734 76.7 56.6-122.1 -60.2 15.6 9.7 1.6 567 589 A I H 3> S+ 0 0 97 -4,-0.5 4,-0.7 1,-0.3 -2,-0.1 0.779 117.8 46.3 -48.5 -24.4 15.4 10.3 -2.1 568 590 A L H 3> S+ 0 0 90 -4,-0.5 4,-0.9 2,-0.2 -1,-0.3 0.561 108.5 51.8 -95.4 -14.1 12.1 8.5 -1.6 569 591 A E H <> S+ 0 0 39 -3,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.801 106.9 55.4 -88.3 -33.0 11.0 10.4 1.4 570 592 A A H X S+ 0 0 4 -4,-3.3 4,-2.2 1,-0.2 -2,-0.2 0.898 106.6 51.7 -63.2 -37.8 11.7 13.6 -0.5 571 593 A Y H X S+ 0 0 136 -4,-0.7 4,-3.2 -5,-0.3 -1,-0.2 0.876 104.7 53.2 -66.4 -40.8 9.3 12.3 -3.2 572 594 A E H X S+ 0 0 66 -4,-0.9 4,-2.2 1,-0.2 -1,-0.2 0.853 113.5 46.5 -63.3 -31.4 6.5 11.6 -0.7 573 595 A Q H X S+ 0 0 24 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.844 110.8 49.6 -76.6 -39.3 7.0 15.2 0.4 574 596 A Y H X S+ 0 0 104 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.938 110.5 54.9 -63.0 -45.7 7.0 16.5 -3.2 575 597 A K H >X S+ 0 0 62 -4,-3.2 4,-1.9 1,-0.2 3,-0.7 0.945 110.0 41.7 -53.7 -57.1 3.9 14.4 -3.7 576 598 A M H 3X S+ 0 0 7 -4,-2.2 4,-0.9 1,-0.3 -1,-0.2 0.820 107.9 62.2 -66.0 -25.8 1.9 16.0 -0.9 577 599 A M H 3< S+ 0 0 14 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.874 108.5 44.3 -62.7 -35.0 3.2 19.4 -1.9 578 600 A R H << S+ 0 0 163 -4,-1.7 -2,-0.2 -3,-0.7 -1,-0.2 0.840 100.1 66.1 -76.5 -35.7 1.4 18.8 -5.1 579 601 A D H < S+ 0 0 66 -4,-1.9 2,-0.5 -5,-0.2 -313,-0.2 0.783 97.5 66.0 -57.0 -23.4 -1.7 17.5 -3.4 580 602 A G S < S- 0 0 2 -4,-0.9 4,-0.2 -3,-0.2 -312,-0.0 -0.874 97.8-128.7 -96.0 130.1 -1.8 21.1 -2.2 581 603 A G > - 0 0 53 -2,-0.5 3,-1.4 2,-0.1 -1,-0.2 0.421 40.4 -69.9 -62.8-156.0 -2.5 23.2 -5.3 582 604 A A T 3 S+ 0 0 78 1,-0.3 -1,-0.1 3,-0.0 5,-0.1 0.593 134.4 63.7 -75.0 -10.1 -0.6 26.3 -6.5 583 605 A N T 3 S+ 0 0 160 3,-0.0 -1,-0.3 4,-0.0 -2,-0.1 0.182 70.4 134.7 -97.0 15.1 -2.2 27.9 -3.5 584 606 A F X - 0 0 6 -3,-1.4 3,-1.1 -4,-0.2 -4,-0.0 -0.559 50.9-147.3 -68.5 115.4 -0.3 25.6 -1.1 585 607 A P T 3 S+ 0 0 13 0, 0.0 3,-0.3 0, 0.0 4,-0.2 0.771 88.2 51.3 -55.0 -33.0 1.1 28.0 1.6 586 608 A Y T 3> + 0 0 2 1,-0.2 4,-2.3 2,-0.1 5,-0.2 -0.074 65.5 121.7-105.2 39.8 4.3 26.0 2.3 587 609 A K H <> S+ 0 0 48 -3,-1.1 4,-1.9 1,-0.2 5,-0.2 0.959 77.8 48.7 -59.6 -55.8 5.8 25.6 -1.2 588 610 A A H > S+ 0 0 4 -3,-0.3 4,-1.3 1,-0.2 -1,-0.2 0.894 111.2 51.5 -52.8 -44.3 9.1 27.3 -0.4 589 611 A T H >> S+ 0 0 7 1,-0.2 4,-2.2 2,-0.2 3,-0.6 0.945 109.7 48.4 -59.7 -51.0 9.5 25.3 2.8 590 612 A F H 3X S+ 0 0 3 -4,-2.3 4,-2.9 1,-0.2 -1,-0.2 0.789 104.9 59.3 -62.5 -28.0 9.0 22.0 1.0 591 613 A W H 3X S+ 0 0 47 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.848 111.5 40.9 -70.1 -31.7 11.5 22.9 -1.8 592 614 A F H S+ 0 0 25 -4,-2.3 4,-2.1 37,-0.3 5,-1.4 0.760 105.2 61.9 -70.1 -21.4 21.8 16.5 -0.4 600 622 A N H <>S+ 0 0 13 -4,-1.4 5,-1.9 -5,-0.2 -1,-0.2 0.897 110.1 39.4 -70.4 -36.1 21.6 14.1 2.5 601 623 A L H <>S+ 0 0 47 -4,-1.4 5,-1.9 -3,-0.2 -2,-0.2 0.940 130.1 30.1 -73.1 -49.1 22.0 11.3 0.0 602 624 A V H <>S+ 0 0 48 -4,-2.8 5,-2.8 3,-0.3 6,-0.2 0.926 126.5 36.5 -78.7 -51.6 24.5 13.1 -2.2 603 625 A G T <5S+ 0 0 0 -4,-2.1 30,-0.5 29,-0.3 5,-0.5 0.954 135.5 19.0 -70.0 -50.1 26.5 15.4 0.2 604 626 A A T 4 S+ 0 0 9 -5,-0.5 3,-0.9 -6,-0.2 -1,-0.2 0.913 112.1 46.9 -67.4 -39.9 30.9 11.4 2.7 609 631 A F H >X S+ 0 0 47 -4,-1.1 3,-1.4 -5,-0.3 4,-0.8 0.804 95.2 74.0 -72.6 -25.9 31.5 7.8 1.7 610 632 A L H 3< S+ 0 0 84 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.798 111.9 29.5 -55.3 -27.4 33.9 8.8 -1.0 611 633 A I T << S+ 0 0 22 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.290 99.8 87.5-116.4 10.8 36.3 9.5 1.9 612 634 A N T <4 + 0 0 16 -3,-1.4 -2,-0.1 -4,-0.2 -3,-0.1 0.835 57.6 99.2 -83.0 -33.0 35.1 7.0 4.6 613 635 A L S X S- 0 0 44 -4,-0.8 4,-3.4 1,-0.2 5,-0.3 -0.282 71.3-137.3 -56.3 130.0 37.1 3.8 3.7 614 636 A P H > S+ 0 0 0 0, 0.0 4,-1.5 0, 0.0 -385,-0.2 0.869 105.5 55.9 -58.3 -33.4 40.1 3.5 5.9 615 637 A A H 4 S+ 0 0 24 -387,-0.8 4,-0.5 2,-0.2 -386,-0.1 0.907 115.8 36.9 -63.1 -41.6 42.2 2.5 2.9 616 638 A V H >> S+ 0 0 36 -3,-0.3 4,-2.3 1,-0.2 3,-1.6 0.948 112.9 55.1 -74.4 -53.7 41.2 5.7 1.1 617 639 A S H 3X S+ 0 0 7 -4,-3.4 4,-2.6 1,-0.3 -2,-0.2 0.764 90.8 77.3 -51.5 -30.7 41.2 8.0 4.2 618 640 A Y H 3< S+ 0 0 1 -4,-1.5 -402,-0.4 -5,-0.3 -1,-0.3 0.923 113.3 21.2 -47.0 -47.3 44.8 6.9 4.8 619 641 A F H <4 S+ 0 0 14 -3,-1.6 -2,-0.2 -4,-0.5 -1,-0.2 0.842 128.8 49.1 -88.9 -39.9 45.8 9.2 2.0 620 642 A E H < S+ 0 0 3 -4,-2.3 3,-0.4 3,-0.1 6,-0.2 0.858 73.8 118.8 -72.3 -40.3 42.8 11.5 1.9 621 643 A H S < S+ 0 0 19 -4,-2.6 -547,-0.1 1,-0.2 -548,-0.1 0.058 86.4 14.8 -32.7 120.9 42.5 12.4 5.6 622 644 A G S S+ 0 0 2 1,-0.3 2,-0.3 -550,-0.1 -1,-0.2 0.881 105.2 116.9 75.2 38.8 43.0 16.2 5.9 623 645 A Q S > S- 0 0 0 -3,-0.4 3,-2.6 -550,-0.0 -1,-0.3 -0.858 80.8 -86.7-133.2 169.5 42.6 17.0 2.2 624 646 A F T 3> S+ 0 0 1 1,-0.3 4,-1.9 -2,-0.3 63,-0.2 0.654 117.0 67.7 -49.1 -23.6 40.2 19.0 -0.1 625 647 A L H 3> S+ 0 0 9 62,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.816 94.6 60.4 -70.4 -24.5 37.8 16.1 -0.6 626 648 A T H <> S+ 0 0 37 -3,-2.6 4,-3.7 -6,-0.2 -1,-0.2 0.947 107.5 41.9 -66.4 -49.3 36.9 16.6 3.1 627 649 A P H > S+ 0 0 15 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.863 110.3 60.0 -66.4 -29.5 35.7 20.2 2.5 628 650 A A H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.970 114.8 34.4 -57.9 -51.4 34.0 18.9 -0.7 629 651 A H H X S+ 0 0 48 -4,-2.5 4,-3.2 -22,-0.2 5,-0.4 0.913 113.3 64.0 -66.2 -43.5 32.0 16.6 1.4 630 652 A G H X S+ 0 0 26 -4,-3.7 4,-2.3 1,-0.2 5,-0.4 0.856 109.5 36.0 -50.4 -45.0 31.9 19.2 4.2 631 653 A H H X>S+ 0 0 49 -4,-2.7 5,-1.7 2,-0.2 4,-1.3 0.915 114.2 55.3 -77.2 -43.8 30.0 21.8 2.2 632 654 A A H <5S+ 0 0 0 -4,-1.9 -29,-0.3 -5,-0.3 4,-0.3 0.929 121.1 32.0 -54.5 -45.6 27.8 19.3 0.3 633 655 A A H X>S+ 0 0 15 -4,-3.2 4,-2.8 -30,-0.5 5,-1.0 0.964 122.7 43.4 -78.5 -54.6 26.7 17.9 3.7 634 656 A M H X>S+ 0 0 48 -4,-2.3 5,-2.1 -5,-0.4 4,-0.5 0.977 129.8 24.3 -58.6 -60.8 26.8 20.9 6.0 635 657 A M H <>S+ 0 0 19 -4,-1.3 5,-1.6 -5,-0.4 -3,-0.2 0.923 124.9 53.6 -71.9 -40.1 25.2 23.5 3.7 636 658 A G H 4X S+ 0 0 0 -4,-2.1 3,-1.8 1,-0.2 4,-1.0 0.965 109.5 58.1 -66.2 -51.8 7.9 30.6 10.4 650 672 A L H 3X S+ 0 0 2 -4,-2.4 4,-2.2 1,-0.3 -1,-0.2 0.750 104.2 57.7 -49.3 -23.9 8.2 33.7 8.3 651 673 A R H 3< S+ 0 0 27 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.789 103.4 48.2 -79.3 -30.3 5.1 32.4 6.6 652 674 A N H << S+ 0 0 9 -3,-1.8 -1,-0.2 -4,-0.8 -2,-0.2 0.550 119.6 43.1 -84.1 -7.8 3.0 32.3 9.8 653 675 A I H < S+ 0 0 0 -4,-1.0 93,-2.2 2,-0.1 -2,-0.2 0.782 97.3 74.8-106.3 -38.6 4.2 35.8 10.5 654 676 A V B < S-J 745 0G 6 -4,-2.2 91,-0.2 91,-0.2 5,-0.1 -0.435 91.7-101.1 -77.9 152.8 4.1 37.8 7.3 655 677 A K >> - 0 0 90 89,-2.4 3,-2.1 1,-0.1 4,-0.6 -0.650 32.3-132.5 -73.4 123.7 0.7 39.0 5.9 656 678 A P G >4 S+ 0 0 21 0, 0.0 3,-3.8 0, 0.0 -1,-0.1 0.899 102.5 61.6 -39.7 -61.5 -0.1 36.5 3.1 657 679 A E G 34 S+ 0 0 148 1,-0.3 -2,-0.0 -3,-0.1 -3,-0.0 0.708 106.2 47.7 -40.1 -30.4 -1.0 39.3 0.6 658 680 A A G <4 S+ 0 0 39 -3,-2.1 -1,-0.3 86,-0.2 2,-0.2 0.557 92.3 105.9 -92.4 -8.4 2.6 40.6 0.9 659 681 A W << + 0 0 30 -3,-3.8 2,-0.3 -4,-0.6 82,-0.0 -0.448 39.9 172.2 -76.9 142.4 4.2 37.1 0.5 660 682 A N - 0 0 82 -2,-0.2 3,-0.5 1,-0.0 4,-0.4 -0.811 19.3-172.4-152.3 107.5 5.9 36.0 -2.7 661 683 A D > + 0 0 32 -2,-0.3 4,-1.1 1,-0.2 5,-0.1 0.112 69.5 95.3 -87.3 24.6 7.8 32.8 -3.1 662 684 A K H >> S+ 0 0 124 2,-0.2 4,-1.8 1,-0.2 3,-0.8 0.969 88.1 44.6 -71.3 -57.9 9.1 33.8 -6.5 663 685 A W H 3> S+ 0 0 113 -3,-0.5 4,-1.8 1,-0.3 -1,-0.2 0.773 110.6 56.1 -53.6 -32.0 12.3 35.2 -4.9 664 686 A L H 3> S+ 0 0 1 -4,-0.4 4,-3.0 2,-0.2 -1,-0.3 0.838 103.0 53.9 -74.3 -31.0 12.5 32.0 -2.8 665 687 A K H S+ 0 0 8 -4,-2.1 5,-2.2 45,-0.2 4,-1.0 0.904 117.5 44.4 -70.5 -35.7 31.7 24.6 -6.0 679 701 A V H <>S+ 0 0 0 -4,-2.1 5,-3.3 -5,-0.2 -2,-0.2 0.972 123.2 33.5 -67.7 -57.6 31.9 20.9 -5.0 680 702 A V H <5S+ 0 0 81 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.866 122.6 43.4 -69.3 -40.7 32.0 19.5 -8.5 681 703 A I H <5S+ 0 0 74 -4,-2.4 -3,-0.2 -5,-0.3 -1,-0.2 0.766 135.0 0.0 -80.5 -25.9 34.0 22.2 -10.4 682 704 A T T X5S+ 0 0 0 -4,-1.0 4,-2.4 -5,-0.4 5,-0.4 0.669 123.9 48.3-127.8 -68.1 36.6 22.8 -7.7 683 705 A L H > S+ 0 0 36 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.897 116.8 47.7 -61.1 -36.2 39.0 17.8 -8.8 686 708 A V H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.933 108.9 56.3 -67.3 -40.8 41.5 19.4 -6.5 687 709 A G H X S+ 0 0 0 -4,-2.4 4,-1.9 -5,-0.4 -62,-0.2 0.884 106.6 48.9 -55.2 -40.3 40.8 16.7 -3.9 688 710 A I H X S+ 0 0 94 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.941 111.8 48.4 -65.6 -47.3 41.6 14.0 -6.4 689 711 A L H X S+ 0 0 63 -4,-1.8 4,-3.0 1,-0.2 -2,-0.2 0.923 111.5 50.3 -56.9 -48.7 44.9 15.7 -7.4 690 712 A Q H X S+ 0 0 2 -4,-2.9 4,-1.4 1,-0.2 -1,-0.2 0.873 111.4 47.9 -61.0 -37.8 45.9 16.1 -3.7 691 713 A M H X S+ 0 0 50 -4,-1.9 4,-1.9 -5,-0.2 -1,-0.2 0.870 113.3 47.9 -71.1 -37.1 45.2 12.5 -2.9 692 714 A K H X S+ 0 0 127 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.911 109.8 53.6 -67.3 -42.8 47.2 11.4 -6.0 693 715 A E H X S+ 0 0 34 -4,-3.0 4,-1.7 1,-0.2 5,-0.3 0.797 110.7 46.2 -61.8 -33.0 50.0 13.7 -5.0 694 716 A A H X S+ 0 0 0 -4,-1.4 4,-1.5 -5,-0.2 -1,-0.2 0.872 108.8 55.6 -79.6 -35.6 50.1 12.2 -1.5 695 717 A F H < S+ 0 0 113 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.848 118.1 33.8 -63.5 -34.1 50.0 8.6 -2.9 696 718 A I H < S+ 0 0 78 -4,-1.9 -2,-0.2 2,-0.1 -1,-0.2 0.783 134.0 18.9 -95.2 -29.4 53.1 9.3 -5.1 697 719 A H H < S- 0 0 111 -4,-1.7 -3,-0.2 1,-0.2 -2,-0.2 0.525 114.2 -86.5-119.1 -9.4 55.3 11.6 -3.1 698 720 A G >X - 0 0 2 -4,-1.5 3,-0.9 -5,-0.3 4,-0.7 -0.157 40.7 -86.5 113.3 149.7 54.1 11.3 0.5 699 721 A Y H >> S+ 0 0 1 -483,-2.0 4,-1.0 1,-0.2 3,-0.6 0.777 122.4 66.3 -60.9 -26.2 51.4 13.1 2.4 700 722 A W H >4 S+ 0 0 78 -484,-0.4 3,-0.6 1,-0.2 4,-0.5 0.893 97.2 55.0 -63.0 -37.1 53.8 16.0 3.3 701 723 A A H <4 S+ 0 0 4 -3,-0.9 -1,-0.2 1,-0.2 6,-0.2 0.735 104.8 52.9 -67.1 -25.9 53.9 16.9 -0.4 702 724 A S H << S+ 0 0 1 -4,-0.7 -1,-0.2 -3,-0.6 -2,-0.2 0.690 111.1 45.8 -83.7 -19.7 50.1 17.2 -0.7 703 725 A R S << S+ 0 0 7 -4,-1.0 -2,-0.2 -3,-0.6 -1,-0.2 0.372 88.2 105.3-103.4 1.6 49.9 19.6 2.3 704 726 A S S >> S- 0 0 23 -4,-0.5 3,-1.8 -3,-0.2 4,-0.8 -0.564 81.5-121.5 -81.5 148.2 52.8 21.9 1.3 705 727 A P H 3> S+ 0 0 22 0, 0.0 4,-1.4 0, 0.0 -1,-0.1 0.749 110.3 75.9 -59.8 -21.2 51.8 25.3 -0.2 706 728 A S H 3> S+ 0 0 73 1,-0.2 4,-0.7 2,-0.2 3,-0.1 0.860 91.1 53.1 -56.2 -38.6 53.8 24.1 -3.2 707 729 A F H X4 S+ 0 0 2 -3,-1.8 3,-1.2 -6,-0.2 6,-0.2 0.927 106.6 50.2 -64.3 -47.3 50.8 21.9 -4.0 708 730 A L H 3< S+ 0 0 5 -4,-0.8 -1,-0.2 1,-0.2 -2,-0.2 0.739 105.4 61.9 -63.8 -21.8 48.4 24.8 -3.9 709 731 A Q H 3< S+ 0 0 94 -4,-1.4 -1,-0.2 4,-0.1 -2,-0.2 0.679 72.1 113.9 -81.0 -18.1 50.8 26.7 -6.2 710 732 A Q S S+ 0 0 120 1,-0.3 4,-3.0 2,-0.2 5,-0.3 0.879 110.0 55.6 -48.0 -45.9 49.0 26.1 -12.1 712 734 A V H > S+ 0 0 88 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.926 110.6 44.8 -56.2 -45.9 46.5 23.2 -12.5 713 735 A V H > S+ 0 0 1 -3,-0.4 4,-3.0 -6,-0.2 -2,-0.2 0.972 112.8 50.7 -61.9 -55.3 45.4 23.7 -8.9 714 736 A Q H X S+ 0 0 34 -4,-2.7 4,-3.8 2,-0.2 5,-0.2 0.915 109.5 49.2 -49.6 -53.4 45.2 27.5 -9.1 715 737 A N H X S+ 0 0 98 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.935 112.7 48.3 -53.8 -47.4 43.0 27.5 -12.2 716 738 A L H < S+ 0 0 40 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.914 115.3 46.1 -56.7 -43.6 40.7 25.0 -10.6 717 739 A L H >< S+ 0 0 9 -4,-3.0 3,-1.2 1,-0.2 -2,-0.2 0.899 109.5 55.1 -65.9 -41.6 40.8 27.3 -7.5 718 740 A L H >< S+ 0 0 93 -4,-3.8 3,-1.2 1,-0.2 -2,-0.2 0.849 102.6 54.4 -61.3 -39.8 40.2 30.4 -9.6 719 741 A V T >< S+ 0 0 67 -4,-2.2 3,-0.9 1,-0.3 -1,-0.2 0.441 82.0 87.7 -78.4 1.0 37.0 29.2 -11.3 720 742 A R T <> S+ 0 0 24 -3,-1.2 4,-2.6 1,-0.2 -1,-0.3 0.720 74.2 76.7 -67.9 -19.7 35.4 28.5 -8.0 721 743 A A H <> S+ 0 0 52 -3,-1.2 4,-2.4 -4,-0.2 5,-0.3 0.854 85.0 58.7 -60.5 -38.6 34.3 32.1 -8.2 722 744 A V H X> S+ 0 0 94 -3,-0.9 4,-2.5 2,-0.2 3,-0.9 0.990 115.8 31.1 -56.8 -71.4 31.6 31.4 -10.7 723 745 A P H 3> S+ 0 0 4 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.824 118.5 57.5 -58.4 -29.4 29.6 28.9 -8.5 724 746 A D H 3X S+ 0 0 27 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.870 109.4 44.8 -67.3 -34.1 30.7 30.8 -5.4 725 747 A T H < S+ 0 0 0 -4,-2.6 3,-0.8 -3,-0.1 4,-0.3 0.979 113.8 43.9 -72.1 -54.7 14.2 38.3 5.1 739 761 A I H >< S+ 0 0 80 -4,-3.3 2,-2.7 1,-0.3 3,-2.2 0.964 112.2 49.2 -54.6 -62.8 14.9 42.0 5.8 740 762 A K T 3< S+ 0 0 131 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.1 -0.152 97.5 76.6 -76.0 49.7 12.1 43.5 3.8 741 763 A A T X S+ 0 0 5 -2,-2.7 3,-1.2 -3,-0.8 -1,-0.3 0.431 78.5 66.2-127.3 -20.2 9.8 41.1 5.5 742 764 A L G X S+ 0 0 53 -3,-2.2 3,-1.0 -4,-0.3 -2,-0.2 0.758 91.9 67.5 -72.8 -23.1 9.7 43.0 8.8 743 765 A F G 3 S+ 0 0 156 -4,-0.4 -1,-0.2 1,-0.2 -3,-0.1 0.451 106.3 38.5 -76.1 -1.0 7.8 45.7 6.8 744 766 A H G < S+ 0 0 83 -3,-1.2 -89,-2.4 2,-0.1 -1,-0.2 -0.039 83.8 142.7-140.3 36.1 4.8 43.4 6.4 745 767 A L B < -J 654 0G 42 -3,-1.0 -91,-0.2 -91,-0.2 2,-0.2 -0.389 43.5-131.6 -78.9 154.9 4.5 41.6 9.7 746 768 A R - 0 0 35 -93,-2.2 -1,-0.1 -2,-0.1 -2,-0.1 -0.553 22.9-122.7 -95.9 166.8 1.2 40.7 11.3 747 769 A K - 0 0 171 -2,-0.2 -471,-0.1 1,-0.1 -1,-0.0 -0.888 40.6 -74.4-115.1 148.9 0.6 41.5 15.0 748 770 A P - 0 0 57 0, 0.0 -471,-0.2 0, 0.0 -1,-0.1 0.034 33.5-163.8 -38.7 134.2 -0.3 39.0 17.8 749 771 A T S S+ 0 0 83 -473,-1.0 2,-0.3 1,-0.2 -472,-0.2 0.888 76.2 27.4 -86.8 -50.7 -3.9 37.7 17.7 750 772 A H - 0 0 57 -474,-2.0 -1,-0.2 1,-0.1 5,-0.0 -0.792 64.6-164.3-112.9 155.9 -4.0 36.3 21.2 751 773 A G S S- 0 0 32 -2,-0.3 -391,-0.8 -474,-0.1 -1,-0.1 0.332 76.9 -26.9-104.7-122.1 -2.0 37.4 24.3 752 774 A E S S+ 0 0 99 -393,-0.1 -390,-0.1 -475,-0.1 -475,-0.0 0.071 117.3 109.5 -83.3 28.8 -1.8 35.2 27.4 753 775 A G S S- 0 0 34 1,-0.1 2,-0.4 -394,-0.0 -393,-0.2 0.446 72.9 -81.7 -80.9-142.5 -5.1 33.9 26.2 754 776 A E 0 0 113 -395,-0.1 -395,-0.2 0, 0.0 -1,-0.1 -0.964 360.0 360.0-143.8 124.6 -6.3 30.6 24.7 755 777 A E 0 0 76 -397,-1.7 -481,-0.0 -2,-0.4 0, 0.0 -0.340 360.0 360.0 -74.7 360.0 -6.1 29.1 21.1