==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN 21-JUL-04 1U3D . COMPND 2 MOLECULE: CRYPTOCHROME 1 APOPROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA; . AUTHOR C.A.BRAUTIGAM,B.S.SMITH,Z.MA,M.PALNITKAR,D.R.TOMCHICK, . 485 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21303.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 338 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 29 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 200 41.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.1 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 1 1 2 1 3 0 1 3 2 0 1 0 0 1 1 1 0 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 1 3 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 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 13 A C 0 0 52 0, 0.0 90,-2.0 0, 0.0 91,-0.8 0.000 360.0 360.0 360.0 113.9 73.7 21.9 101.4 2 14 A S E -ab 27 92A 2 24,-2.2 26,-1.3 88,-0.2 2,-0.5 -0.940 360.0-141.4-117.8 134.1 73.0 20.8 97.9 3 15 A I E -ab 28 93A 2 89,-3.3 91,-3.4 -2,-0.4 2,-0.7 -0.865 5.8-159.5-101.3 124.7 70.1 18.3 97.1 4 16 A V E -ab 29 94A 0 24,-1.9 26,-3.3 -2,-0.5 2,-0.9 -0.886 10.3-157.2-100.9 111.7 70.4 15.6 94.4 5 17 A W E -ab 30 95A 3 89,-2.7 91,-0.5 -2,-0.7 2,-0.3 -0.779 8.5-163.8 -96.3 98.8 66.9 14.5 93.3 6 18 A F E +a 31 0A 1 24,-2.6 26,-0.6 -2,-0.9 4,-0.1 -0.617 26.7 146.7 -79.3 131.1 67.0 10.9 91.8 7 19 A R S S- 0 0 17 -2,-0.3 -1,-0.2 24,-0.1 3,-0.1 0.557 80.8 -13.9-127.5 -70.7 64.1 9.7 89.7 8 20 A R S S+ 0 0 33 88,-0.2 237,-0.1 89,-0.1 -2,-0.0 -0.389 113.2 86.4-137.1 54.6 65.1 7.4 86.8 9 21 A D + 0 0 2 236,-0.1 2,-3.1 237,-0.1 236,-0.3 -0.368 53.3 172.1-145.1 45.6 68.8 7.9 86.7 10 22 A L + 0 0 0 234,-2.6 195,-0.4 231,-0.1 2,-0.3 -0.226 41.5 88.7 -66.7 64.8 69.8 5.3 89.3 11 23 A R - 0 0 4 -2,-3.1 236,-0.1 1,-0.1 235,-0.1 -0.986 62.2-145.6-155.1 163.4 73.6 5.4 88.9 12 24 A V S > S+ 0 0 6 -2,-0.3 3,-0.5 234,-0.2 2,-0.3 0.550 78.8 82.4-108.0 -13.9 76.7 7.1 90.0 13 25 A E T 3 S- 0 0 35 1,-0.2 152,-0.2 233,-0.2 235,-0.0 -0.724 106.8 -1.8 -94.5 144.6 78.7 6.9 86.8 14 26 A D T 3 S+ 0 0 0 150,-2.2 -1,-0.2 -2,-0.3 236,-0.1 0.885 87.5 144.7 41.2 54.0 78.0 9.6 84.2 15 27 A N <> - 0 0 4 -3,-0.5 4,-2.7 150,-0.2 5,-0.2 -0.894 31.7-168.5-119.6 93.8 75.4 11.2 86.3 16 28 A P H > S+ 0 0 8 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.831 83.1 52.1 -53.6 -42.9 75.6 15.0 85.6 17 29 A A H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.969 112.9 45.6 -62.7 -50.0 73.3 16.2 88.5 18 30 A L H > S+ 0 0 1 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.956 113.7 48.9 -57.2 -50.0 75.3 14.1 91.0 19 31 A A H X S+ 0 0 17 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.860 111.0 50.6 -58.9 -35.4 78.6 15.4 89.6 20 32 A A H X S+ 0 0 10 -4,-2.3 4,-1.3 -5,-0.2 -1,-0.2 0.867 110.5 50.4 -70.1 -35.8 77.4 19.0 89.7 21 33 A A H X S+ 0 0 0 -4,-2.2 4,-1.0 2,-0.2 -2,-0.2 0.908 108.3 50.2 -70.4 -41.5 76.3 18.6 93.3 22 34 A V H < S+ 0 0 48 -4,-2.5 3,-0.5 1,-0.2 -1,-0.2 0.893 107.5 55.0 -65.6 -33.5 79.6 17.1 94.5 23 35 A R H < S+ 0 0 187 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.886 110.8 50.0 -63.0 -32.3 81.4 20.0 92.8 24 36 A A H < S- 0 0 51 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.593 119.7 -71.9 -86.4 -13.2 79.2 22.4 94.9 25 37 A G S < S- 0 0 29 -4,-1.0 -1,-0.2 -3,-0.5 146,-0.1 -0.776 80.2 -21.9 138.9 173.1 79.3 21.3 98.5 26 38 A P - 0 0 47 0, 0.0 -24,-2.2 0, 0.0 2,-0.3 0.031 64.6-138.0 -52.1 164.0 78.0 18.4 100.5 27 39 A V E -ac 2 172A 1 144,-3.1 146,-0.9 -26,-0.2 2,-0.4 -0.800 18.7-155.7-127.6 154.3 75.0 16.5 99.2 28 40 A I E -a 3 0A 8 -26,-1.3 -24,-1.9 -2,-0.3 2,-0.6 -0.952 25.8-145.3-129.4 107.3 71.7 14.9 100.4 29 41 A A E -ad 4 69A 0 39,-0.7 41,-3.1 -2,-0.4 2,-0.4 -0.687 25.2-169.5 -76.4 118.4 70.8 12.1 97.9 30 42 A L E +ad 5 70A 0 -26,-3.3 -24,-2.6 -2,-0.6 2,-0.4 -0.901 21.8 177.0-119.5 141.4 67.0 12.0 97.6 31 43 A F E -ad 6 71A 9 39,-2.6 41,-2.1 -2,-0.4 2,-0.5 -0.995 11.9-163.1-134.7 132.9 64.5 9.7 96.1 32 44 A V E - d 0 72A 13 -26,-0.6 2,-0.7 -2,-0.4 41,-0.2 -0.956 6.9-154.9-120.7 119.1 60.7 10.3 96.4 33 45 A W E + d 0 73A 26 39,-2.8 41,-2.0 -2,-0.5 43,-0.1 -0.829 29.9 152.3 -96.4 111.9 58.2 7.5 95.7 34 46 A A > + 0 0 8 -2,-0.7 3,-1.1 39,-0.2 43,-0.2 -0.555 4.7 162.9-135.4 67.0 54.8 9.2 94.7 35 47 A P G > + 0 0 13 0, 0.0 3,-4.5 0, 0.0 4,-0.2 0.899 67.3 63.4 -59.5 -44.9 52.9 6.8 92.5 36 48 A E G > S+ 0 0 83 1,-0.3 3,-1.1 2,-0.2 39,-0.1 0.749 95.8 65.9 -51.8 -20.2 49.3 8.2 92.6 37 49 A E G < S+ 0 0 51 -3,-1.1 -1,-0.3 1,-0.2 69,-0.1 0.539 89.5 67.8 -73.8 -12.1 50.9 11.2 91.0 38 50 A E G X S- 0 0 31 -3,-4.5 3,-1.9 1,-0.2 2,-0.3 0.273 89.8-158.5 -94.7 7.9 51.5 8.9 88.0 39 51 A G T < - 0 0 45 -3,-1.1 3,-0.4 1,-0.3 -1,-0.2 -0.311 66.3 -4.9 62.5-119.1 47.8 8.6 87.2 40 52 A H T 3 S+ 0 0 110 -2,-0.3 -1,-0.3 1,-0.2 2,-0.1 0.563 133.8 62.5 -87.3 -12.8 46.7 5.6 85.2 41 53 A Y < + 0 0 5 -3,-1.9 -1,-0.2 -6,-0.1 -2,-0.1 -0.301 60.8 149.3-111.6 46.0 50.3 4.6 84.8 42 54 A H - 0 0 76 -3,-0.4 2,-0.1 1,-0.1 -6,-0.1 -0.427 64.6 -80.8 -66.7 158.9 51.6 3.9 88.3 43 55 A P - 0 0 24 0, 0.0 -1,-0.1 0, 0.0 331,-0.1 -0.405 48.3-126.3 -64.6 139.1 54.4 1.2 88.1 44 56 A G > - 0 0 7 329,-0.6 4,-2.9 332,-0.2 5,-0.2 -0.196 32.2 -87.2 -78.9 172.9 53.3 -2.4 87.8 45 57 A R H > S+ 0 0 63 329,-0.3 4,-1.8 1,-0.2 5,-0.2 0.890 123.7 40.4 -49.4 -53.0 54.4 -5.3 90.0 46 58 A V H > S+ 0 0 4 328,-0.5 4,-1.7 2,-0.2 -1,-0.2 0.866 114.7 52.0 -71.8 -30.4 57.5 -6.4 88.1 47 59 A S H > S+ 0 0 2 327,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.937 111.0 49.4 -64.4 -46.6 58.7 -2.9 87.5 48 60 A R H X S+ 0 0 48 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.854 107.0 53.9 -61.6 -35.3 58.3 -2.2 91.2 49 61 A W H X S+ 0 0 17 -4,-1.8 4,-1.6 -5,-0.2 -1,-0.2 0.889 110.6 48.1 -66.7 -38.1 60.3 -5.3 92.1 50 62 A W H X S+ 0 0 0 -4,-1.7 4,-2.9 2,-0.2 -2,-0.2 0.950 110.8 50.0 -66.3 -45.7 63.0 -4.0 89.8 51 63 A L H X S+ 0 0 5 -4,-2.8 4,-3.0 1,-0.2 5,-0.2 0.911 107.3 55.3 -57.9 -47.1 62.9 -0.5 91.4 52 64 A K H X S+ 0 0 85 -4,-2.6 4,-1.3 1,-0.2 -1,-0.2 0.909 115.0 37.2 -54.1 -47.3 63.1 -1.9 94.9 53 65 A N H X S+ 0 0 57 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.859 114.6 54.9 -78.4 -31.2 66.3 -3.8 94.1 54 66 A S H X S+ 0 0 1 -4,-2.9 4,-2.2 1,-0.2 151,-0.3 0.939 107.9 50.3 -65.6 -42.9 67.8 -1.1 92.0 55 67 A L H X S+ 0 0 12 -4,-3.0 4,-2.9 2,-0.2 5,-0.2 0.833 106.6 55.3 -64.1 -34.6 67.4 1.4 94.8 56 68 A A H X S+ 0 0 59 -4,-1.3 4,-2.8 -5,-0.2 -1,-0.2 0.949 110.4 44.3 -64.9 -45.6 69.1 -0.9 97.3 57 69 A Q H X S+ 0 0 49 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.894 112.5 53.4 -64.4 -37.9 72.1 -1.1 95.1 58 70 A L H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.960 112.1 44.3 -61.5 -50.0 72.0 2.7 94.5 59 71 A D H X S+ 0 0 38 -4,-2.9 4,-2.9 1,-0.2 -2,-0.2 0.917 111.7 52.9 -59.0 -45.9 72.0 3.3 98.2 60 72 A S H X S+ 0 0 74 -4,-2.8 4,-1.8 -5,-0.2 -1,-0.2 0.906 111.3 47.8 -56.8 -42.3 74.7 0.8 98.8 61 73 A S H X S+ 0 0 18 -4,-2.4 4,-1.2 2,-0.2 -2,-0.2 0.950 110.3 49.5 -63.1 -54.9 76.8 2.5 96.2 62 74 A L H ><>S+ 0 0 0 -4,-2.7 5,-1.8 1,-0.2 3,-0.5 0.872 108.6 54.5 -53.4 -42.5 76.3 6.0 97.6 63 75 A R H ><5S+ 0 0 129 -4,-2.9 3,-2.0 1,-0.3 -1,-0.2 0.934 103.3 55.6 -59.1 -43.8 77.2 4.7 101.0 64 76 A S H 3<5S+ 0 0 95 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.792 110.9 47.0 -55.0 -30.8 80.5 3.4 99.6 65 77 A L T <<5S- 0 0 30 -4,-1.2 105,-2.2 -3,-0.5 -1,-0.3 0.406 130.8 -89.9 -92.7 -0.6 81.1 6.9 98.4 66 78 A G T < 5S+ 0 0 37 -3,-2.0 106,-0.4 -4,-0.4 2,-0.3 0.256 93.7 71.7 117.0 -19.4 80.2 8.6 101.7 67 79 A T < - 0 0 6 -5,-1.8 -1,-0.3 104,-0.1 -2,-0.2 -0.823 64.5-128.1-126.6 167.2 76.4 9.5 101.8 68 80 A a - 0 0 4 -2,-0.3 -39,-0.7 -5,-0.1 2,-0.5 -0.640 26.7-109.2-107.5 169.7 73.2 7.5 102.2 69 81 A L E -d 29 0A 9 -2,-0.2 2,-0.6 -41,-0.1 -39,-0.2 -0.892 29.0-149.3-102.2 129.1 70.1 7.6 100.0 70 82 A I E -d 30 0A 6 -41,-3.1 -39,-2.6 -2,-0.5 2,-0.4 -0.886 13.1-160.7-101.4 125.9 67.2 9.3 101.7 71 83 A T E -d 31 0A 29 -2,-0.6 110,-2.4 107,-0.3 2,-0.4 -0.860 7.2-170.2-112.5 141.8 63.8 8.0 100.7 72 84 A K E -d 32 0A 61 -41,-2.1 -39,-2.8 -2,-0.4 2,-0.5 -0.993 11.9-151.7-133.5 134.2 60.5 9.7 101.1 73 85 A R E +d 33 0A 101 -2,-0.4 2,-0.3 -41,-0.2 -39,-0.2 -0.912 39.0 135.0-103.8 128.8 57.0 8.3 100.6 74 86 A S - 0 0 23 -41,-2.0 3,-0.2 -2,-0.5 -2,-0.0 -0.979 61.0-122.2-163.8 173.1 54.5 10.9 99.6 75 87 A T S S+ 0 0 97 -2,-0.3 2,-0.3 1,-0.2 -41,-0.1 0.512 103.9 41.5-102.5 -7.7 51.6 12.0 97.4 76 88 A D > - 0 0 35 1,-0.1 4,-2.3 -43,-0.1 -1,-0.2 -0.845 60.4-167.6-144.1 105.5 53.4 15.0 96.0 77 89 A S H > S+ 0 0 3 -2,-0.3 4,-2.0 1,-0.2 -1,-0.1 0.883 90.9 53.9 -59.4 -39.7 57.1 15.0 95.1 78 90 A V H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.951 108.7 49.0 -57.9 -52.2 57.4 18.7 94.9 79 91 A A H > S+ 0 0 31 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.934 109.0 53.7 -50.9 -51.3 56.0 19.2 98.3 80 92 A S H X S+ 0 0 13 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.841 105.3 54.2 -54.3 -37.7 58.4 16.6 99.6 81 93 A L H >X S+ 0 0 1 -4,-2.0 4,-3.2 -3,-0.2 3,-0.6 0.976 109.4 47.9 -59.8 -52.6 61.3 18.5 98.1 82 94 A L H 3X S+ 0 0 22 -4,-2.2 4,-3.7 1,-0.3 -2,-0.2 0.907 110.7 49.6 -53.8 -50.8 60.2 21.6 100.0 83 95 A D H 3< S+ 0 0 110 -4,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.783 113.4 48.8 -65.5 -21.3 59.9 19.8 103.2 84 96 A V H XX S+ 0 0 11 -4,-1.4 4,-1.1 -3,-0.6 3,-0.9 0.924 116.5 39.2 -82.8 -45.7 63.3 18.4 102.6 85 97 A V H >X>S+ 0 0 12 -4,-3.2 4,-3.7 1,-0.3 2,-1.9 0.975 114.0 57.1 -64.6 -49.2 65.0 21.7 101.8 86 98 A K H 3<5S+ 0 0 100 -4,-3.7 -1,-0.3 1,-0.3 -2,-0.1 -0.074 116.3 35.7 -73.7 41.0 62.9 23.4 104.5 87 99 A S H <45S+ 0 0 70 -2,-1.9 -1,-0.3 -3,-0.9 -2,-0.2 0.263 123.6 38.9-161.4 -20.9 64.3 21.0 107.0 88 100 A T H <<5S- 0 0 29 -3,-1.2 -2,-0.2 -4,-1.1 -3,-0.2 0.629 100.5-124.2-110.2 -29.0 67.9 20.5 105.8 89 101 A G T <5 + 0 0 58 -4,-3.7 2,-0.3 -5,-0.3 -3,-0.2 0.917 47.0 167.7 80.5 48.4 68.5 24.1 104.8 90 102 A A < - 0 0 8 -5,-0.6 -1,-0.2 -6,-0.1 -88,-0.2 -0.692 25.1-168.6 -94.4 150.3 69.5 23.3 101.2 91 103 A S + 0 0 67 -90,-2.0 29,-3.0 -2,-0.3 2,-0.3 0.570 68.9 39.3-112.2 -16.3 69.8 26.1 98.6 92 104 A Q E -be 2 120A 63 -91,-0.8 -89,-3.3 27,-0.2 2,-0.4 -0.985 57.1-161.1-136.9 150.0 70.1 24.1 95.4 93 105 A I E -be 3 121A 7 27,-2.2 29,-1.6 -2,-0.3 2,-0.4 -0.996 11.1-162.7-130.2 119.1 68.5 21.0 94.0 94 106 A F E +be 4 122A 12 -91,-3.4 -89,-2.7 -2,-0.4 2,-0.3 -0.891 18.7 159.5-104.8 135.0 70.1 19.1 91.0 95 107 A F E -be 5 123A 12 27,-1.9 29,-1.9 -2,-0.4 2,-0.3 -0.978 35.4-118.4-149.0 161.8 68.2 16.7 88.9 96 108 A N E - e 0 124A 2 -91,-0.5 29,-0.2 -2,-0.3 -88,-0.2 -0.814 40.8-102.2-102.8 143.0 68.3 15.0 85.5 97 109 A H - 0 0 35 27,-2.9 2,-0.3 -2,-0.3 29,-0.2 -0.100 26.9-164.3 -61.0 161.3 65.5 15.4 82.9 98 110 A L - 0 0 8 2,-0.1 9,-0.1 5,-0.1 -1,-0.0 -0.979 6.9-159.2-142.5 145.5 62.7 13.1 81.9 99 111 A Y + 0 0 3 -2,-0.3 -2,-0.0 4,-0.1 -1,-0.0 0.354 50.0 112.6-118.6 12.6 60.6 13.4 78.8 100 112 A D S > S- 0 0 4 1,-0.1 4,-2.6 198,-0.0 3,-0.4 -0.515 76.6-110.5 -81.3 151.3 57.4 11.5 79.4 101 113 A P H > S+ 0 0 12 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.905 115.5 48.7 -44.7 -55.7 54.2 13.6 79.7 102 114 A L H > S+ 0 0 41 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.852 115.5 45.6 -57.2 -37.5 53.6 13.1 83.4 103 115 A S H > S+ 0 0 0 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.867 105.2 61.2 -74.0 -39.2 57.2 14.0 84.2 104 116 A L H X S+ 0 0 30 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.938 109.9 40.5 -53.8 -52.0 57.2 17.0 81.9 105 117 A V H X S+ 0 0 93 -4,-1.9 4,-2.6 1,-0.2 3,-0.5 0.980 115.6 47.5 -63.5 -59.2 54.4 18.7 83.9 106 118 A R H X S+ 0 0 20 -4,-1.6 4,-1.1 1,-0.2 -1,-0.2 0.796 109.7 55.7 -52.7 -32.7 55.5 17.9 87.4 107 119 A D H X S+ 0 0 12 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.921 110.3 43.6 -68.8 -42.3 59.1 18.9 86.6 108 120 A H H X S+ 0 0 130 -4,-1.6 4,-2.7 -3,-0.5 -2,-0.2 0.947 112.5 51.6 -64.1 -50.9 58.0 22.4 85.5 109 121 A R H X S+ 0 0 115 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.804 111.2 52.9 -55.9 -26.7 55.6 22.7 88.5 110 122 A A H X S+ 0 0 2 -4,-1.1 4,-2.4 -5,-0.3 5,-0.3 0.951 107.6 45.8 -73.2 -54.0 58.7 21.8 90.4 111 123 A K H X S+ 0 0 95 -4,-2.2 4,-2.5 2,-0.2 5,-0.4 0.905 114.5 51.1 -55.6 -46.6 61.1 24.4 89.0 112 124 A D H X S+ 0 0 99 -4,-2.7 4,-3.1 2,-0.2 -2,-0.2 0.987 113.1 41.3 -55.7 -68.7 58.4 27.1 89.5 113 125 A V H < S+ 0 0 46 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.854 120.9 42.2 -50.2 -44.2 57.5 26.4 93.1 114 126 A L H ><>S+ 0 0 5 -4,-2.4 5,-1.7 -5,-0.2 3,-0.8 0.851 117.8 42.7 -76.8 -36.0 61.1 25.9 94.2 115 127 A T H ><5S+ 0 0 57 -4,-2.5 3,-2.2 -5,-0.3 2,-0.8 0.935 110.9 56.8 -76.3 -41.4 62.8 28.7 92.4 116 128 A A T 3<5S+ 0 0 81 -4,-3.1 -1,-0.3 -5,-0.4 -2,-0.1 0.005 107.6 52.3 -75.8 33.1 59.9 31.0 93.3 117 129 A Q T < 5S- 0 0 97 -3,-0.8 -1,-0.3 -2,-0.8 -2,-0.2 0.148 131.4 -86.1-151.7 11.0 60.8 30.1 96.9 118 130 A G T < 5S+ 0 0 62 -3,-2.2 2,-0.5 1,-0.2 -3,-0.2 0.798 84.6 129.5 85.0 33.5 64.4 30.9 96.9 119 131 A I < - 0 0 18 -5,-1.7 2,-0.4 -4,-0.3 -1,-0.2 -0.971 53.1-134.5-124.2 128.4 65.9 27.7 95.6 120 132 A A E -e 92 0A 49 -29,-3.0 -27,-2.2 -2,-0.5 2,-0.5 -0.670 25.1-166.8 -76.5 127.0 68.4 27.3 92.7 121 133 A V E -e 93 0A 27 -2,-0.4 2,-0.4 -29,-0.2 -27,-0.2 -0.950 6.9-176.8-119.9 115.4 67.3 24.5 90.4 122 134 A R E -e 94 0A 151 -29,-1.6 -27,-1.9 -2,-0.5 2,-0.4 -0.908 6.3-161.2-115.2 149.0 69.7 23.0 87.8 123 135 A S E -e 95 0A 32 -2,-0.4 -27,-0.2 -29,-0.2 2,-0.2 -0.964 7.6-174.0-132.4 122.8 68.8 20.3 85.2 124 136 A F E -e 96 0A 31 -29,-1.9 -27,-2.9 -2,-0.4 2,-0.7 -0.572 30.9-104.2-117.1 177.8 71.0 18.0 83.1 125 137 A N + 0 0 7 -29,-0.2 -29,-0.1 -2,-0.2 -27,-0.1 -0.875 48.8 146.0 -98.2 108.0 70.9 15.4 80.4 126 138 A A + 0 0 1 -2,-0.7 123,-0.3 -29,-0.2 124,-0.2 0.624 67.6 48.2-114.2 -17.7 71.4 12.0 81.8 127 139 A D S S+ 0 0 5 -30,-0.2 2,-0.3 121,-0.1 118,-0.1 0.471 101.3 50.2-108.1 0.3 69.2 9.9 79.5 128 140 A L - 0 0 3 1,-0.1 3,-0.1 161,-0.0 122,-0.1 -0.880 68.0-127.1-137.1 165.9 69.9 10.7 75.9 129 141 A L S S+ 0 0 5 1,-0.3 32,-0.4 -2,-0.3 2,-0.3 0.860 103.1 3.4 -75.8 -35.8 72.7 11.2 73.5 130 142 A Y S S- 0 0 14 30,-0.1 -1,-0.3 -3,-0.1 5,-0.1 -0.990 86.0-102.2-149.2 144.8 71.3 14.7 72.7 131 143 A E >> - 0 0 11 -2,-0.3 3,-1.6 -3,-0.1 4,-0.7 -0.359 41.0-112.1 -65.9 147.5 68.4 16.7 74.1 132 144 A P G >4 S+ 0 0 6 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.799 117.5 56.5 -55.0 -24.6 65.5 16.5 71.7 133 145 A W G 34 S+ 0 0 139 1,-0.2 -2,-0.0 9,-0.1 157,-0.0 0.739 97.4 61.3 -78.4 -20.7 65.9 20.2 70.9 134 146 A E G <4 S+ 0 0 52 -3,-1.6 2,-0.7 1,-0.1 -1,-0.2 0.634 96.2 70.8 -75.9 -15.4 69.5 19.8 69.8 135 147 A V << + 0 0 3 -4,-0.7 8,-0.3 -3,-0.5 2,-0.3 -0.884 66.9 126.2-112.8 108.7 68.4 17.4 67.0 136 148 A T - 0 0 38 -2,-0.7 -3,-0.0 6,-0.1 5,-0.0 -0.955 55.1 -91.3-154.6 165.7 66.6 19.1 64.2 137 149 A D - 0 0 35 4,-2.2 3,-0.4 -2,-0.3 12,-0.0 -0.267 51.3 -90.9 -79.0 169.5 66.5 19.5 60.4 138 150 A E S S+ 0 0 194 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.872 129.2 49.9 -48.4 -45.2 68.2 22.3 58.5 139 151 A L S S- 0 0 131 2,-0.1 -1,-0.3 1,-0.1 -3,-0.0 0.899 121.1-111.7 -62.9 -36.6 65.1 24.6 58.7 140 152 A G S S+ 0 0 48 -3,-0.4 -2,-0.1 1,-0.3 -1,-0.1 0.525 72.2 131.8 117.1 8.7 65.0 23.9 62.4 141 153 A R - 0 0 148 1,-0.1 -4,-2.2 -5,-0.0 -1,-0.3 -0.610 65.2 -97.1 -93.7 152.1 61.9 21.8 62.6 142 154 A P - 0 0 78 0, 0.0 -6,-0.1 0, 0.0 -1,-0.1 -0.457 44.4-112.0 -65.7 135.1 61.5 18.5 64.5 143 155 A F - 0 0 31 -8,-0.3 3,-0.1 -2,-0.1 -8,-0.0 -0.307 18.9-151.7 -63.8 154.9 61.8 15.5 62.1 144 156 A S S S+ 0 0 79 1,-0.1 2,-0.3 -3,-0.1 253,-0.2 0.448 71.5 49.9-110.6 1.1 58.6 13.6 61.6 145 157 A M S > S- 0 0 89 1,-0.1 4,-1.9 251,-0.1 5,-0.2 -0.987 78.6-120.4-140.3 150.0 60.1 10.1 60.9 146 158 A F H > S+ 0 0 19 -2,-0.3 4,-3.2 1,-0.2 3,-0.4 0.934 105.0 53.0 -53.2 -60.3 62.7 7.9 62.5 147 159 A A H > S+ 0 0 73 1,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.866 111.2 45.8 -46.2 -49.1 65.2 7.5 59.6 148 160 A A H > S+ 0 0 34 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.888 115.9 48.0 -64.4 -36.7 65.6 11.3 59.1 149 161 A F H X S+ 0 0 5 -4,-1.9 4,-2.7 -3,-0.4 -2,-0.2 0.920 113.8 45.0 -67.3 -45.7 65.9 11.8 62.9 150 162 A W H X S+ 0 0 19 -4,-3.2 4,-2.1 2,-0.2 -2,-0.2 0.881 109.1 56.1 -70.0 -37.1 68.4 9.0 63.4 151 163 A E H X S+ 0 0 124 -4,-2.5 4,-0.7 -5,-0.3 -1,-0.2 0.908 110.5 46.0 -62.8 -38.0 70.5 10.1 60.4 152 164 A R H >< S+ 0 0 72 -4,-1.6 3,-1.5 1,-0.2 -2,-0.2 0.961 109.3 54.6 -69.1 -47.1 70.8 13.6 61.9 153 165 A C H >< S+ 0 0 7 -4,-2.7 3,-0.7 1,-0.3 -1,-0.2 0.855 111.5 45.3 -51.5 -38.7 71.7 12.1 65.4 154 166 A L H 3< S+ 0 0 86 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.556 115.8 46.1 -84.2 -8.8 74.5 10.1 63.8 155 167 A S T << S+ 0 0 71 -3,-1.5 -1,-0.2 -4,-0.7 -2,-0.2 -0.155 80.2 147.1-124.5 38.6 75.8 13.0 61.7 156 168 A M < - 0 0 23 -3,-0.7 -3,-0.1 2,-0.1 -21,-0.1 -0.391 58.6-120.1 -75.3 152.7 75.8 15.8 64.3 157 169 A P S S+ 0 0 101 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.661 97.3 33.1 -65.8 -15.4 78.4 18.6 64.4 158 170 A Y S S- 0 0 105 3,-0.0 -2,-0.1 0, 0.0 3,-0.1 -0.968 84.9-109.8-140.2 157.6 79.5 17.5 67.9 159 171 A D - 0 0 139 -2,-0.3 3,-0.1 1,-0.1 2,-0.0 -0.437 40.1 -95.0 -84.9 157.8 79.8 14.3 69.9 160 172 A P - 0 0 17 0, 0.0 -1,-0.1 0, 0.0 -30,-0.1 -0.420 59.1 -85.6 -65.9 149.0 77.6 13.2 72.8 161 173 A E - 0 0 89 -32,-0.4 3,-0.1 1,-0.1 -3,-0.0 -0.191 50.9-113.8 -51.2 145.7 79.3 14.2 76.1 162 174 A S - 0 0 74 1,-0.1 -1,-0.1 -3,-0.1 89,-0.1 -0.724 41.6 -84.3 -88.4 139.8 81.7 11.4 77.1 163 175 A P - 0 0 29 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.096 45.5-141.5 -41.9 127.4 80.9 9.3 80.3 164 176 A L - 0 0 66 1,-0.1 -150,-2.2 -3,-0.1 -149,-0.1 -0.639 21.0-106.6 -92.3 153.3 82.1 11.1 83.5 165 177 A L - 0 0 134 -2,-0.2 -150,-0.2 -152,-0.2 3,-0.1 -0.381 38.3-105.1 -75.6 155.5 83.6 9.2 86.4 166 178 A P - 0 0 45 0, 0.0 -153,-0.1 0, 0.0 -1,-0.1 -0.334 53.4 -79.7 -72.2 170.4 81.4 8.8 89.4 167 179 A P - 0 0 19 0, 0.0 3,-0.1 0, 0.0 -148,-0.0 -0.178 30.0-142.3 -60.6 165.5 82.5 11.0 92.3 168 180 A K S S+ 0 0 180 1,-0.5 2,-0.3 -3,-0.1 0, 0.0 0.728 85.3 4.2 -98.8 -25.4 85.5 9.7 94.3 169 181 A K - 0 0 127 -103,-0.0 -1,-0.5 2,-0.0 2,-0.4 -0.978 62.6-158.8-151.6 154.7 83.9 10.9 97.6 170 182 A I - 0 0 5 -105,-2.2 2,-0.5 -2,-0.3 -148,-0.0 -0.980 12.2-146.4-135.2 141.8 80.7 12.6 98.6 171 183 A I - 0 0 111 -2,-0.4 -144,-3.1 -146,-0.1 2,-0.7 -0.947 19.3-138.2-108.4 129.6 80.2 14.6 101.8 172 184 A S B > -c 27 0A 23 -2,-0.5 3,-0.5 -106,-0.4 -144,-0.2 -0.813 4.4-150.6-105.8 117.0 76.8 14.3 103.3 173 185 A G T 3 S+ 0 0 37 -146,-0.9 2,-0.6 -2,-0.7 -1,-0.1 0.858 83.5 6.6 -40.7 -72.9 75.0 17.3 104.7 174 186 A D T > + 0 0 52 -147,-0.1 3,-1.8 1,-0.1 -1,-0.2 -0.800 63.2 177.2-125.0 92.9 72.7 16.1 107.5 175 187 A V G X S+ 0 0 91 -2,-0.6 3,-1.1 -3,-0.5 4,-0.2 0.525 72.6 79.3 -69.0 -13.1 73.4 12.3 108.1 176 188 A S G 3 S+ 0 0 83 1,-0.2 3,-0.3 2,-0.1 -1,-0.3 0.557 86.9 62.7 -70.2 -8.9 70.9 12.2 110.9 177 189 A K G < S+ 0 0 77 -3,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.507 72.0 98.3 -94.1 -3.8 68.4 12.0 108.1 178 190 A a S < S+ 0 0 30 -3,-1.1 2,-1.1 1,-0.1 -107,-0.3 0.818 70.6 67.8 -51.8 -41.4 69.6 8.7 106.8 179 191 A V S S+ 0 0 141 -3,-0.3 -1,-0.1 -4,-0.2 -109,-0.1 -0.756 78.6 135.5 -84.2 100.9 66.9 6.7 108.6 180 192 A A - 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0 0 2 -3,-1.8 5,-0.1 19,-0.1 16,-0.1 -0.579 69.6-119.1 -78.9 129.0 52.6 -31.7 69.0 432 444 A P >> - 0 0 58 0, 0.0 3,-2.7 0, 0.0 4,-1.1 -0.319 25.1-107.7 -69.8 153.2 55.0 -32.4 66.1 433 445 A T H 3> S+ 0 0 54 1,-0.3 4,-0.6 2,-0.2 -15,-0.1 0.749 112.5 70.1 -47.7 -34.8 56.6 -29.5 64.1 434 446 A D H 34 S+ 0 0 113 1,-0.2 -1,-0.3 2,-0.1 -3,-0.0 0.788 117.6 21.5 -59.1 -26.0 54.4 -30.0 61.1 435 447 A W H X4 S+ 0 0 71 -3,-2.7 3,-2.1 1,-0.1 -1,-0.2 0.486 90.9 104.8-121.9 1.5 51.4 -28.8 63.1 436 448 A I H 3< S+ 0 0 0 -4,-1.1 -2,-0.1 1,-0.3 -3,-0.1 0.832 89.9 40.0 -52.9 -37.4 53.0 -26.7 65.9 437 449 A H T 3< S+ 0 0 4 -4,-0.6 -1,-0.3 1,-0.2 -26,-0.1 0.343 130.0 26.8 -96.8 9.1 52.0 -23.4 64.2 438 450 A H X> + 0 0 18 -3,-2.1 3,-1.2 -109,-0.1 4,-0.8 -0.368 64.4 160.2-163.3 68.3 48.6 -24.5 63.0 439 451 A P T 34 + 0 0 1 0, 0.0 3,-0.1 0, 0.0 15,-0.1 0.770 65.4 75.6 -66.8 -24.9 47.2 -27.3 65.3 440 452 A W T 34 S+ 0 0 71 -112,-0.2 20,-0.0 1,-0.2 -5,-0.0 0.615 96.2 49.5 -64.7 -14.3 43.5 -26.7 64.2 441 453 A N T <4 S+ 0 0 94 -3,-1.2 -1,-0.2 -6,-0.2 -6,-0.0 0.865 87.1 118.5 -87.5 -46.3 44.2 -28.4 60.8 442 454 A A S < S- 0 0 9 -4,-0.8 2,-0.0 -7,-0.1 -7,-0.0 0.295 72.7 -97.8 -32.2 140.7 45.8 -31.5 62.2 443 455 A P >> - 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0 0 131 -2,-0.5 3,-3.2 -5,-0.0 5,-0.8 -0.884 28.1-130.5-119.4 97.5 41.6 -31.5 72.6 454 466 A L B 345S+f 458 0B 47 -2,-0.6 6,-0.1 1,-0.3 3,-0.0 -0.146 94.2 23.7 -49.4 129.1 40.8 -28.5 70.5 455 467 A G T 345S+ 0 0 49 3,-2.8 -1,-0.3 1,-0.1 5,-0.0 0.229 124.3 56.4 97.9 -16.9 38.5 -26.2 72.3 456 468 A S T <45S+ 0 0 59 -3,-3.2 -2,-0.1 2,-0.6 -1,-0.1 0.682 120.0 7.0-110.5 -87.7 39.6 -27.5 75.7 457 469 A N T <5S+ 0 0 61 -4,-0.5 -3,-0.1 1,-0.3 -30,-0.1 0.525 144.0 25.0 -80.2 -3.0 43.2 -27.5 76.7 458 470 A Y B - 0 0 27 -2,-0.3 4,-1.7 -3,-0.2 5,-0.1 -0.379 20.3-122.7 -71.9 154.0 39.9 -16.8 61.7 465 477 A L H > S+ 0 0 39 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.956 112.4 49.2 -63.7 -48.5 42.4 -14.9 59.5 466 478 A D H > S+ 0 0 149 1,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.923 113.2 46.1 -54.7 -45.8 39.9 -14.7 56.6 467 479 A E H > S+ 0 0 126 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.813 110.8 56.6 -67.8 -29.2 37.1 -13.6 58.8 468 480 A A H X S+ 0 0 1 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.925 104.5 48.5 -67.0 -49.6 39.6 -11.1 60.3 469 481 A K H X S+ 0 0 69 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.852 111.2 54.5 -58.2 -35.8 40.5 -9.5 56.9 470 482 A A H X S+ 0 0 54 -4,-1.7 4,-2.9 -5,-0.3 -1,-0.2 0.889 108.3 44.4 -69.9 -40.3 36.7 -9.2 56.2 471 483 A R H X S+ 0 0 93 -4,-1.7 4,-3.0 2,-0.2 -1,-0.2 0.865 110.4 57.7 -73.4 -30.3 35.9 -7.3 59.4 472 484 A L H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.933 111.8 41.2 -59.6 -46.2 38.9 -5.2 58.8 473 485 A H H X S+ 0 0 80 -4,-2.2 4,-3.0 2,-0.2 5,-0.3 0.959 113.4 51.0 -66.3 -53.0 37.4 -4.2 55.5 474 486 A E H X S+ 0 0 106 -4,-2.9 4,-1.6 1,-0.2 -2,-0.2 0.914 110.7 52.5 -54.2 -36.7 33.9 -3.8 56.8 475 487 A A H X S+ 0 0 2 -4,-3.0 4,-2.3 -5,-0.2 -1,-0.2 0.905 110.1 46.2 -67.4 -38.2 35.5 -1.6 59.5 476 488 A L H X S+ 0 0 16 -4,-1.9 4,-3.2 2,-0.2 5,-0.4 0.967 107.6 56.2 -66.2 -51.0 37.2 0.6 56.9 477 489 A S H X S+ 0 0 44 -4,-3.0 4,-1.6 1,-0.3 -1,-0.2 0.876 112.0 47.2 -47.3 -38.5 34.1 0.9 54.7 478 490 A Q H X S+ 0 0 74 -4,-1.6 4,-2.4 -5,-0.3 -1,-0.3 0.915 109.9 47.4 -72.3 -47.5 32.5 2.2 57.8 479 491 A M H X S+ 0 0 3 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.906 111.8 52.4 -64.8 -34.4 35.1 4.7 59.0 480 492 A W H X S+ 0 0 144 -4,-3.2 4,-1.1 1,-0.2 -1,-0.2 0.925 110.1 48.8 -63.3 -41.6 35.2 6.1 55.4 481 493 A Q H < S+ 0 0 143 -4,-1.6 3,-0.3 -5,-0.4 -1,-0.2 0.873 110.1 51.0 -64.9 -36.9 31.5 6.5 55.6 482 494 A L H < S+ 0 0 90 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.819 99.1 66.1 -68.8 -30.6 31.8 8.2 58.9 483 495 A E H < S+ 0 0 94 -4,-2.0 2,-3.2 1,-0.2 -1,-0.2 0.887 78.4 85.0 -58.3 -38.2 34.4 10.6 57.5 484 496 A A < 0 0 86 -4,-1.1 -1,-0.2 -3,-0.3 -3,-0.0 -0.384 360.0 360.0 -66.5 73.9 31.6 11.9 55.3 485 497 A A 0 0 130 -2,-3.2 -2,-0.2 0, 0.0 -1,-0.2 -0.516 360.0 360.0 159.0 360.0 30.7 14.3 58.2