==== 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 OXIDOREDUCTASE 03-APR-09 3GYK . COMPND 2 MOLECULE: 27KDA OUTER MEMBRANE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SILICIBACTER POMEROYI; . AUTHOR Y.FAN,N.MARSHALL,L.KEIGHER,A.JOACHIMIAK,MIDWEST CENTER FOR S . 693 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30469.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 501 72.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 54 7.8 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 0.6 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 . 33 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 298 43.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 2.2 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 0 2 1 5 0 4 4 0 1 5 2 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 4 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 6 6 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 4 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 -1 A N > 0 0 49 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0-133.4 12.2 39.8 44.1 2 0 A A H > + 0 0 34 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.857 360.0 50.2 -70.4 -40.7 8.4 39.1 43.4 3 1 A N H > S+ 0 0 55 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.927 113.1 47.2 -60.2 -46.8 8.5 40.0 39.7 4 2 A R H >>S+ 0 0 87 1,-0.2 4,-3.3 2,-0.2 5,-0.5 0.920 110.5 52.6 -62.8 -44.3 11.5 37.7 39.3 5 3 A D H X5S+ 0 0 69 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.896 109.9 47.8 -58.4 -44.6 9.8 34.9 41.2 6 4 A S H <5S+ 0 0 20 -4,-2.4 -1,-0.2 1,-0.2 4,-0.2 0.850 120.1 38.7 -65.6 -34.7 6.7 35.1 39.0 7 5 A L H <5S+ 0 0 13 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.889 131.2 20.6 -83.0 -42.3 8.7 35.1 35.8 8 6 A F H <5S+ 0 0 9 -4,-3.3 -3,-0.2 -5,-0.2 -2,-0.2 0.665 123.9 44.6-108.7 -18.1 11.5 32.7 36.6 9 7 A N << + 0 0 81 -4,-1.8 -1,-0.1 -5,-0.5 -3,-0.1 0.003 67.6 131.0-122.3 30.1 10.4 30.5 39.5 10 8 A D > - 0 0 33 -4,-0.2 3,-1.9 1,-0.1 -4,-0.1 -0.729 44.5-154.9 -83.6 117.0 6.8 29.4 38.7 11 9 A P T 3 S+ 0 0 60 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.726 92.7 60.8 -65.8 -17.4 6.5 25.6 39.1 12 10 A N T 3 S+ 0 0 17 164,-0.1 -2,-0.0 2,-0.1 116,-0.0 0.295 89.5 84.1 -92.1 8.5 3.6 25.6 36.6 13 11 A A S < S- 0 0 4 -3,-1.9 45,-0.1 45,-0.1 62,-0.0 -0.951 87.5-113.8-112.0 125.4 5.8 26.9 33.8 14 12 A P - 0 0 15 0, 0.0 43,-2.2 0, 0.0 2,-0.5 -0.225 25.4-149.9 -57.8 144.3 7.8 24.4 31.8 15 13 A V E +A 56 0A 48 41,-0.2 41,-0.2 -4,-0.1 2,-0.2 -0.973 20.5 170.2-117.0 125.1 11.6 24.7 32.1 16 14 A L E +A 55 0A 9 39,-3.4 39,-2.6 -2,-0.5 2,-0.1 -0.645 47.6 32.2-118.6 178.1 13.9 23.7 29.3 17 15 A G E S-A 54 0A 33 37,-0.2 37,-0.3 -2,-0.2 -2,-0.1 -0.430 120.9 -10.6 72.5-145.1 17.6 24.1 28.7 18 16 A N > - 0 0 8 35,-2.8 3,-2.3 1,-0.2 -2,-0.1 -0.780 60.7-151.3 -93.8 117.6 19.8 24.0 31.8 19 17 A P T 3 S+ 0 0 28 0, 0.0 -1,-0.2 0, 0.0 35,-0.1 0.740 100.2 38.8 -64.7 -19.6 17.5 24.2 34.9 20 18 A E T 3 S+ 0 0 100 412,-0.1 413,-0.2 413,-0.1 34,-0.1 0.055 84.9 142.1-111.3 22.9 20.3 25.9 36.8 21 19 A G < - 0 0 10 -3,-2.3 32,-0.2 1,-0.1 31,-0.1 -0.257 56.7-127.3 -59.6 151.4 21.6 28.1 34.0 22 20 A D S S+ 0 0 71 30,-0.9 2,-0.4 1,-0.1 31,-0.2 0.523 93.0 51.8 -87.3 -6.1 22.7 31.6 35.1 23 21 A V E S-b 53 0A 2 29,-1.1 31,-2.9 127,-0.1 2,-0.5 -0.999 72.8-153.0-127.4 127.0 20.5 33.4 32.5 24 22 A T E -b 54 0A 8 -2,-0.4 126,-2.5 29,-0.2 2,-0.5 -0.888 5.7-166.1 -99.2 128.8 16.8 32.7 32.2 25 23 A V E -bC 55 149A 0 29,-3.0 31,-2.9 -2,-0.5 2,-0.5 -0.964 6.5-162.3-107.9 124.9 15.0 33.3 28.8 26 24 A V E -bC 56 148A 0 122,-2.8 122,-2.1 -2,-0.5 2,-0.4 -0.929 3.5-164.9-105.9 134.6 11.3 33.4 28.9 27 25 A E E -bC 57 147A 4 29,-2.3 31,-2.9 -2,-0.5 2,-0.5 -0.974 8.3-160.1-119.4 134.2 9.3 33.0 25.7 28 26 A F E +bC 58 146A 0 118,-2.6 118,-1.4 -2,-0.4 2,-0.3 -0.948 32.5 160.9-104.4 128.0 5.6 33.7 25.3 29 27 A F E -b 59 0A 0 29,-1.9 31,-2.6 -2,-0.5 2,-0.3 -0.935 37.5-148.1-151.2 166.6 4.2 31.9 22.2 30 28 A D > - 0 0 2 -2,-0.3 3,-1.8 29,-0.2 6,-0.2 -0.993 26.0-131.0-138.5 134.0 1.2 30.6 20.3 31 29 A Y T 3 S+ 0 0 1 -2,-0.3 66,-0.1 36,-0.3 36,-0.0 0.626 107.5 49.4 -67.4 -12.2 1.4 27.4 18.1 32 30 A N T 3 S+ 0 0 29 64,-0.1 -1,-0.3 65,-0.1 3,-0.1 0.323 82.2 112.2-105.7 6.9 -0.3 29.2 15.2 33 31 A C <> - 0 0 8 -3,-1.8 4,-2.4 1,-0.2 3,-0.3 -0.697 58.8-150.7 -85.0 119.2 1.9 32.3 15.2 34 32 A P H > S+ 0 0 99 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.878 98.0 48.5 -59.0 -40.4 4.1 32.4 12.1 35 33 A Y H > S+ 0 0 125 109,-0.2 4,-1.9 2,-0.2 5,-0.1 0.818 108.7 53.9 -72.4 -29.3 6.9 34.3 13.9 36 34 A C H > S+ 0 0 0 -3,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.898 108.0 50.0 -62.1 -43.4 6.8 31.8 16.8 37 35 A R H X S+ 0 0 61 -4,-2.4 4,-0.5 1,-0.2 3,-0.2 0.900 112.8 47.3 -62.5 -38.6 7.2 29.0 14.3 38 36 A R H X S+ 0 0 137 -4,-1.9 4,-0.6 -5,-0.2 3,-0.4 0.840 108.1 55.8 -66.1 -37.5 10.2 30.9 12.9 39 37 A A H X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 3,-0.4 0.734 87.9 81.0 -69.7 -22.5 11.6 31.5 16.4 40 38 A X H X S+ 0 0 37 -4,-1.3 4,-2.9 1,-0.3 5,-0.2 0.918 94.0 44.0 -53.2 -50.1 11.7 27.8 17.2 41 39 A A H X S+ 0 0 53 -4,-0.5 4,-1.9 -3,-0.4 -1,-0.3 0.812 113.5 52.5 -65.2 -30.3 15.0 27.1 15.3 42 40 A E H X S+ 0 0 48 -4,-0.6 4,-2.4 -3,-0.4 -2,-0.2 0.916 112.8 43.5 -69.2 -45.3 16.5 30.3 16.8 43 41 A V H X S+ 0 0 1 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.931 114.7 49.4 -68.4 -45.5 15.7 29.3 20.4 44 42 A Q H X S+ 0 0 60 -4,-2.9 4,-1.9 -5,-0.3 -1,-0.2 0.909 111.6 51.2 -57.5 -41.2 16.8 25.6 19.8 45 43 A G H X S+ 0 0 13 -4,-1.9 4,-2.0 -5,-0.2 -2,-0.2 0.928 108.8 49.7 -61.2 -47.4 20.0 27.1 18.3 46 44 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 3,-0.2 0.941 111.5 48.9 -54.1 -52.9 20.6 29.2 21.4 47 45 A V H < S+ 0 0 37 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.784 112.7 48.5 -58.6 -33.9 20.0 26.2 23.7 48 46 A D H < S+ 0 0 134 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.824 116.8 41.8 -75.4 -32.9 22.4 24.1 21.7 49 47 A A H < S+ 0 0 52 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.2 0.797 118.1 44.4 -83.2 -32.5 25.1 26.8 21.6 50 48 A D >< - 0 0 10 -4,-2.5 3,-1.1 -5,-0.2 -1,-0.2 -0.893 56.9-176.8-125.1 98.6 24.8 27.9 25.3 51 49 A P T 3 S+ 0 0 27 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.368 81.3 65.8 -77.2 5.8 24.5 25.2 27.9 52 50 A N T 3 S+ 0 0 3 404,-0.2 -29,-1.1 -31,-0.1 -30,-0.9 0.036 77.4 104.4-114.7 23.4 24.1 27.8 30.6 53 51 A V E < - b 0 23A 2 -3,-1.1 -35,-2.8 -32,-0.2 2,-0.5 -0.916 55.1-155.7-108.9 128.0 20.8 29.1 29.5 54 52 A R E -Ab 17 24A 30 -31,-2.9 -29,-3.0 -2,-0.5 2,-0.5 -0.903 11.4-153.8 -97.9 134.1 17.6 28.2 31.3 55 53 A L E -Ab 16 25A 1 -39,-2.6 -39,-3.4 -2,-0.5 2,-0.4 -0.942 8.3-168.5-121.4 118.1 14.4 28.5 29.1 56 54 A V E -Ab 15 26A 2 -31,-2.9 -29,-2.3 -2,-0.5 2,-0.5 -0.872 12.1-146.0-108.7 132.6 11.0 29.2 30.7 57 55 A Y E - b 0 27A 0 -43,-2.2 2,-0.6 -2,-0.4 -29,-0.2 -0.851 13.4-171.0-106.7 132.1 7.8 28.8 28.6 58 56 A R E - b 0 28A 0 -31,-2.9 -29,-1.9 -2,-0.5 2,-0.6 -0.958 17.9-147.2-113.9 110.0 4.6 30.8 28.8 59 57 A E E + b 0 29A 0 -2,-0.6 73,-0.2 -31,-0.2 -29,-0.2 -0.686 23.6 175.0 -73.2 118.2 1.9 29.3 26.7 60 58 A W - 0 0 24 -31,-2.6 2,-0.6 -2,-0.6 -1,-0.1 -0.707 10.6-168.1-130.5 74.6 -0.1 32.3 25.6 61 59 A P + 0 0 10 0, 0.0 -31,-0.1 0, 0.0 7,-0.1 -0.576 28.9 143.3 -70.9 116.2 -2.8 31.2 23.1 62 60 A I + 0 0 65 -2,-0.6 3,-0.1 5,-0.0 -32,-0.1 0.391 49.5 78.1-132.2 -4.5 -4.2 34.3 21.5 63 61 A L S S- 0 0 91 1,-0.3 3,-0.2 2,-0.0 2,-0.2 0.134 102.0 -86.8-106.7 19.9 -4.9 33.4 17.9 64 62 A G > - 0 0 41 1,-0.2 4,-2.2 2,-0.1 -1,-0.3 -0.647 63.7 -34.1 122.4-164.6 -8.1 31.5 18.5 65 63 A E H > S+ 0 0 182 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.839 128.5 51.6 -68.5 -35.9 -9.7 28.2 19.4 66 64 A G H > S+ 0 0 9 -3,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.934 111.3 49.0 -64.6 -45.4 -7.1 26.0 17.6 67 65 A S H > S+ 0 0 1 2,-0.2 4,-2.5 1,-0.2 -36,-0.3 0.893 110.7 50.3 -58.8 -43.1 -4.4 27.9 19.4 68 66 A D H X S+ 0 0 59 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.935 110.1 50.3 -61.8 -43.8 -6.2 27.3 22.7 69 67 A F H X S+ 0 0 29 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.939 111.7 48.2 -58.1 -50.2 -6.6 23.6 22.0 70 68 A A H X S+ 0 0 0 -4,-2.7 4,-2.8 27,-0.3 -1,-0.2 0.898 111.7 48.5 -57.6 -48.0 -2.8 23.3 21.2 71 69 A A H X S+ 0 0 1 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.926 114.2 46.2 -60.0 -45.7 -1.8 25.2 24.4 72 70 A R H X S+ 0 0 53 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.933 113.8 49.0 -61.8 -44.6 -4.0 23.1 26.6 73 71 A A H X S+ 0 0 0 -4,-2.9 4,-1.6 -5,-0.2 -2,-0.2 0.912 111.1 49.7 -62.2 -45.5 -2.8 19.9 24.9 74 72 A A H < S+ 0 0 0 -4,-2.8 4,-0.5 2,-0.2 3,-0.5 0.949 112.3 46.4 -60.7 -49.4 0.8 20.8 25.3 75 73 A L H >< S+ 0 0 0 -4,-2.5 3,-1.4 1,-0.2 4,-0.3 0.900 110.5 54.3 -61.5 -40.2 0.4 21.6 29.0 76 74 A A H >< S+ 0 0 0 -4,-2.8 3,-1.8 1,-0.2 4,-0.3 0.811 94.4 70.0 -60.1 -31.3 -1.5 18.3 29.4 77 75 A A G ><>S+ 0 0 0 -4,-1.6 5,-2.2 -3,-0.5 3,-1.4 0.696 80.3 76.1 -63.6 -17.6 1.4 16.5 27.9 78 76 A R G X 5S+ 0 0 52 -3,-1.4 3,-1.5 -4,-0.5 -1,-0.3 0.861 86.1 62.6 -57.6 -32.7 3.5 17.2 31.0 79 77 A Q G < 5S+ 0 0 97 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.698 107.4 42.7 -68.4 -17.0 1.4 14.5 32.7 80 78 A Q G < 5S- 0 0 37 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.253 115.5-114.5-111.7 7.2 2.9 12.0 30.2 81 79 A G T < 5S+ 0 0 58 -3,-1.5 -3,-0.2 -4,-0.2 -2,-0.1 0.748 89.6 106.6 70.7 27.9 6.4 13.4 30.5 82 80 A K >< + 0 0 73 -5,-2.2 4,-2.3 -8,-0.1 5,-0.2 0.099 29.0 118.7-129.4 21.4 6.4 14.5 26.9 83 81 A Y H > S+ 0 0 15 -6,-0.3 4,-3.0 1,-0.2 5,-0.2 0.939 79.4 45.3 -54.4 -55.2 6.0 18.3 27.0 84 82 A E H > S+ 0 0 98 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.933 114.7 45.9 -60.6 -48.4 9.3 19.2 25.2 85 83 A A H > S+ 0 0 54 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.906 115.9 47.8 -61.9 -39.8 8.9 16.6 22.4 86 84 A F H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 5,-0.3 0.924 109.9 52.3 -68.5 -42.6 5.3 17.7 21.9 87 85 A H H X S+ 0 0 2 -4,-3.0 4,-2.8 -5,-0.2 5,-0.2 0.929 111.7 45.3 -56.2 -51.1 6.2 21.4 21.9 88 86 A W H X S+ 0 0 44 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.878 114.1 50.0 -62.4 -37.5 8.9 21.0 19.2 89 87 A A H < S+ 0 0 27 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.890 114.2 43.7 -71.6 -40.9 6.6 18.8 17.1 90 88 A L H >< S+ 0 0 0 -4,-2.8 3,-1.5 2,-0.2 -2,-0.2 0.939 114.5 48.8 -63.7 -51.5 3.7 21.2 17.2 91 89 A X H 3< S+ 0 0 4 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.784 115.8 45.5 -65.5 -22.6 5.9 24.3 16.6 92 90 A G T 3< S+ 0 0 49 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.320 90.0 120.0 -99.6 7.5 7.5 22.5 13.7 93 91 A X < - 0 0 18 -3,-1.5 2,-0.5 -4,-0.1 4,-0.1 -0.242 63.9-121.5 -73.8 160.2 4.3 21.2 12.1 94 92 A S S S+ 0 0 109 2,-0.1 -1,-0.1 0, 0.0 -2,-0.1 -0.855 76.5 4.6 -98.3 131.7 2.9 21.9 8.6 95 93 A G S S- 0 0 46 -2,-0.5 2,-0.1 2,-0.1 -2,-0.1 -0.216 104.8 -17.6 86.8-177.6 -0.5 23.5 8.6 96 94 A K - 0 0 131 1,-0.1 2,-1.4 -2,-0.0 5,-0.2 -0.335 48.4-130.7 -77.1 138.6 -2.8 24.7 11.4 97 95 A A + 0 0 0 4,-0.1 -27,-0.3 -2,-0.1 2,-0.2 -0.713 58.6 135.2 -80.1 93.3 -2.7 23.8 15.0 98 96 A N S > S- 0 0 56 -2,-1.4 4,-3.5 -29,-0.1 5,-0.4 -0.732 72.8 -78.0-130.0-178.7 -6.3 22.9 15.4 99 97 A E H > S+ 0 0 106 -2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.906 129.8 40.4 -53.3 -49.5 -8.1 19.9 17.2 100 98 A T H > S+ 0 0 105 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.893 119.2 45.4 -69.4 -37.8 -7.4 17.4 14.4 101 99 A G H > S+ 0 0 8 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.910 113.5 49.1 -70.5 -43.1 -3.8 18.6 13.7 102 100 A V H X S+ 0 0 0 -4,-3.5 4,-2.5 1,-0.2 -2,-0.2 0.936 112.7 47.9 -60.5 -48.1 -2.9 18.8 17.4 103 101 A L H X S+ 0 0 22 -4,-2.2 4,-1.9 -5,-0.4 -1,-0.2 0.846 109.7 53.4 -64.8 -35.5 -4.2 15.3 18.0 104 102 A R H X S+ 0 0 82 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.955 110.8 45.2 -59.1 -54.7 -2.4 13.9 15.0 105 103 A I H X S+ 0 0 5 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.884 108.6 58.9 -57.3 -40.6 1.0 15.4 16.2 106 104 A A H <>S+ 0 0 0 -4,-2.5 5,-2.6 1,-0.2 4,-0.3 0.912 106.6 46.8 -56.0 -47.5 0.2 14.0 19.7 107 105 A R H ><5S+ 0 0 153 -4,-1.9 3,-2.0 3,-0.2 -1,-0.2 0.938 108.5 56.8 -56.2 -49.4 -0.1 10.4 18.3 108 106 A E H 3<5S+ 0 0 134 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.836 108.5 45.9 -54.0 -37.4 3.2 11.0 16.4 109 107 A V T 3<5S- 0 0 34 -4,-1.9 -1,-0.3 -3,-0.1 -2,-0.2 0.394 123.5-104.6 -89.7 1.4 5.1 11.8 19.6 110 108 A G T < 5 + 0 0 48 -3,-2.0 -3,-0.2 -4,-0.3 2,-0.2 0.651 64.8 154.3 89.5 17.9 3.5 8.8 21.4 111 109 A L < - 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0 0 35 -4,-0.2 3,-1.9 1,-0.1 -4,-0.1 -0.739 44.2-155.6 -83.4 116.3 2.9 33.6 45.4 185 9 B P T 3 S+ 0 0 62 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.698 92.7 60.3 -67.3 -14.6 3.1 37.4 44.9 186 10 B N T 3 S+ 0 0 17 2,-0.1 -2,-0.0 115,-0.0 116,-0.0 0.293 89.3 83.5 -94.9 9.4 -0.5 37.4 43.6 187 11 B A S < S- 0 0 5 -3,-1.9 45,-0.1 45,-0.1 -3,-0.0 -0.957 87.7-114.7-111.5 124.8 -1.8 36.0 46.9 188 12 B P - 0 0 15 0, 0.0 43,-2.3 0, 0.0 2,-0.5 -0.226 25.7-150.2 -57.6 144.8 -2.5 38.5 49.7 189 13 B V E +E 230 0B 47 41,-0.2 2,-0.2 -4,-0.1 41,-0.2 -0.972 19.8 170.5-118.2 126.7 -0.4 38.3 52.9 190 14 B L E +E 229 0B 9 39,-1.7 39,-2.7 -2,-0.5 2,-0.1 -0.666 47.2 33.4-119.3-179.3 -1.7 39.3 56.3 191 15 B G E S-E 228 0B 16 -2,-0.2 37,-0.2 37,-0.2 -2,-0.1 -0.445 121.0 -10.7 71.4-142.4 -0.3 38.9 59.8 192 16 B N > - 0 0 2 35,-2.6 3,-2.2 1,-0.2 -2,-0.1 -0.785 60.9-151.5 -94.9 115.2 3.5 39.0 60.1 193 17 B P T 3 S+ 0 0 19 0, 0.0 -1,-0.2 0, 0.0 35,-0.1 0.728 100.0 39.9 -61.6 -19.7 5.0 38.8 56.5 194 18 B E T 3 S+ 0 0 101 412,-0.1 413,-0.2 33,-0.1 34,-0.1 0.088 84.1 140.7-110.5 21.6 8.1 37.1 58.1 195 19 B G < - 0 0 11 -3,-2.2 32,-0.2 1,-0.1 31,-0.1 -0.262 57.5-127.4 -61.1 152.7 6.3 34.9 60.6 196 20 B D S S+ 0 0 76 30,-0.8 2,-0.4 1,-0.1 31,-0.2 0.481 92.9 53.3 -87.4 -6.0 7.8 31.4 60.9 197 21 B V E S-f 227 0B 2 29,-1.1 31,-2.9 127,-0.1 2,-0.5 -0.999 72.2-153.8-126.0 128.8 4.4 29.6 60.3 198 22 B T E -f 228 0B 7 -2,-0.4 126,-2.5 29,-0.2 2,-0.5 -0.897 5.2-166.0-102.2 128.5 2.2 30.2 57.3 199 23 B V E -fG 229 323B 1 29,-3.0 31,-2.6 -2,-0.5 2,-0.5 -0.961 6.6-162.2-106.5 126.5 -1.5 29.6 57.5 200 24 B V E -fG 230 322B 0 122,-2.8 122,-2.1 -2,-0.5 2,-0.4 -0.937 3.8-165.2-107.8 133.4 -3.3 29.6 54.1 201 25 B E E -fG 231 321B 5 29,-2.3 31,-2.9 -2,-0.5 2,-0.5 -0.975 8.3-160.0-118.0 132.7 -7.1 30.0 54.0 202 26 B F E +fG 232 320B 0 118,-2.6 118,-1.4 -2,-0.4 2,-0.3 -0.949 32.4 160.9-103.2 127.7 -9.3 29.2 51.0 203 27 B F E -f 233 0B 0 29,-1.9 31,-2.7 -2,-0.5 2,-0.3 -0.932 37.6-149.2-151.3 164.7 -12.6 31.0 51.3 204 28 B D > - 0 0 2 -2,-0.3 3,-1.8 29,-0.2 6,-0.2 -0.991 26.6-130.8-138.1 133.9 -15.8 32.4 49.7 205 29 B Y T 3 S+ 0 0 1 -2,-0.3 66,-0.1 36,-0.3 36,-0.0 0.619 107.4 49.6 -68.5 -11.4 -17.6 35.5 51.0 206 30 B N T 3 S+ 0 0 32 64,-0.1 -1,-0.3 65,-0.1 3,-0.1 0.322 81.7 111.5-105.1 6.7 -21.0 33.7 51.0 207 31 B C <> - 0 0 7 -3,-1.8 4,-2.4 1,-0.2 3,-0.4 -0.719 59.8-150.3 -85.2 118.3 -19.8 30.6 52.8 208 32 B P H > S+ 0 0 99 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.882 98.1 49.0 -58.1 -41.7 -21.4 30.5 56.4 209 33 B Y H > S+ 0 0 126 109,-0.2 4,-2.0 2,-0.2 5,-0.1 0.829 108.6 53.5 -70.5 -29.7 -18.5 28.7 57.9 210 34 B C H > S+ 0 0 0 -3,-0.4 4,-1.3 2,-0.2 -1,-0.2 0.906 108.6 50.0 -63.1 -43.8 -16.0 31.2 56.3 211 35 B R H X S+ 0 0 58 -4,-2.4 4,-0.5 1,-0.2 3,-0.3 0.900 112.9 46.6 -62.2 -39.1 -17.9 34.0 57.9 212 36 B R H X S+ 0 0 138 -4,-2.0 4,-0.6 1,-0.2 3,-0.5 0.857 108.5 56.4 -65.7 -38.6 -17.7 32.1 61.2 213 37 B A H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 3,-0.3 0.742 87.6 80.1 -68.2 -23.4 -14.0 31.4 60.7 214 38 B X H X S+ 0 0 35 -4,-1.3 4,-2.9 -3,-0.3 5,-0.2 0.904 93.8 45.1 -54.1 -49.9 -13.2 35.2 60.4 215 39 B A H X S+ 0 0 53 -4,-0.5 4,-2.0 -3,-0.5 -1,-0.3 0.840 113.6 51.7 -59.8 -35.2 -13.3 35.8 64.1 216 40 B E H X S+ 0 0 47 -4,-0.6 4,-2.1 -3,-0.3 -2,-0.2 0.912 112.5 44.0 -71.0 -42.2 -11.1 32.7 64.7 217 41 B V H X S+ 0 0 2 -4,-2.7 4,-2.4 2,-0.2 5,-0.2 0.929 114.2 49.6 -70.2 -45.1 -8.5 33.7 62.2 218 42 B Q H X S+ 0 0 62 -4,-2.9 4,-2.0 -5,-0.3 -2,-0.2 0.897 110.7 52.0 -57.0 -40.1 -8.5 37.3 63.5 219 43 B G H X S+ 0 0 12 -4,-2.0 4,-1.7 -5,-0.2 -2,-0.2 0.922 107.9 50.5 -62.6 -45.0 -8.1 35.9 67.0 220 44 B L H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 3,-0.4 0.937 111.7 47.6 -56.4 -51.3 -5.1 33.7 65.9 221 45 B V H < S+ 0 0 38 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.792 112.6 49.5 -62.0 -33.4 -3.4 36.8 64.3 222 46 B D H < S+ 0 0 136 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.767 117.3 40.6 -74.1 -28.8 -4.1 38.9 67.4 223 47 B A H < S+ 0 0 51 -4,-1.7 -2,-0.2 -3,-0.4 -3,-0.2 0.770 118.3 44.2 -91.4 -29.6 -2.7 36.2 69.8 224 48 B D >< - 0 0 11 -4,-2.4 3,-1.0 -5,-0.2 -1,-0.2 -0.898 56.3-176.5-127.0 101.1 0.3 35.1 67.7 225 49 B P T 3 S+ 0 0 30 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.333 81.0 66.0 -79.7 6.0 2.5 37.8 66.1 226 50 B N T 3 S+ 0 0 3 404,-0.2 -29,-1.1 -31,-0.1 -30,-0.8 0.026 77.4 103.6-114.1 23.4 4.7 35.2 64.4 227 51 B V E < - f 0 197B 1 -3,-1.0 -35,-2.6 -32,-0.2 2,-0.5 -0.923 55.9-154.3-109.7 128.7 1.9 33.8 62.1 228 52 B R E -Ef 191 198B 31 -31,-2.9 -29,-3.0 -2,-0.5 2,-0.4 -0.893 11.1-152.0 -97.6 132.6 1.9 34.7 58.4 229 53 B L E -Ef 190 199B 2 -39,-2.7 -39,-1.7 -2,-0.5 2,-0.4 -0.868 9.7-170.2-105.7 140.1 -1.5 34.5 56.7 230 54 B V E -Ef 189 200B 2 -31,-2.6 -29,-2.3 -2,-0.4 2,-0.5 -1.000 12.6-147.3-128.6 131.2 -1.9 33.8 53.0 231 55 B Y E - f 0 201B 1 -43,-2.3 2,-0.6 -2,-0.4 -29,-0.2 -0.864 12.3-170.1-104.7 132.0 -5.3 34.2 51.3 232 56 B R E - f 0 202B 1 -31,-2.9 -29,-1.9 -2,-0.5 2,-0.7 -0.961 17.6-147.2-112.1 110.7 -6.7 32.2 48.4 233 57 B E E + f 0 203B 0 -2,-0.6 73,-0.2 -31,-0.2 -29,-0.2 -0.701 23.8 175.2 -72.4 117.2 -9.9 33.7 47.1 234 58 B W - 0 0 24 -31,-2.7 2,-0.6 -2,-0.7 -1,-0.1 -0.698 10.8-167.8-130.0 76.4 -11.8 30.6 46.0 235 59 B P + 0 0 9 0, 0.0 -31,-0.1 0, 0.0 7,-0.1 -0.551 28.9 143.4 -71.8 116.1 -15.3 31.8 44.8 236 60 B I + 0 0 66 -2,-0.6 3,-0.1 1,-0.0 -32,-0.1 0.403 49.7 77.4-132.0 -3.6 -17.4 28.6 44.5 237 61 B L S S- 0 0 92 1,-0.3 3,-0.2 2,-0.0 2,-0.2 0.108 101.2 -88.4-109.2 21.4 -20.9 29.6 45.6 238 62 B G > - 0 0 41 1,-0.2 4,-2.1 2,-0.1 -1,-0.3 -0.647 63.8 -31.7 121.4-161.8 -22.0 31.4 42.5 239 63 B E H > S+ 0 0 186 -2,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.860 127.9 50.5 -70.4 -36.3 -22.1 34.8 40.7 240 64 B G H > S+ 0 0 10 -3,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.939 111.6 49.9 -64.4 -45.3 -22.3 37.0 43.9 241 65 B S H > S+ 0 0 1 1,-0.2 4,-2.6 2,-0.2 -36,-0.3 0.890 110.1 50.1 -58.3 -41.2 -19.3 35.1 45.3 242 66 B D H X S+ 0 0 56 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.923 109.9 50.1 -65.3 -42.7 -17.4 35.6 42.1 243 67 B F H X S+ 0 0 29 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.944 112.0 49.2 -57.3 -49.0 -18.2 39.4 42.1 244 68 B A H X S+ 0 0 0 -4,-2.7 4,-2.8 27,-0.3 -2,-0.2 0.906 111.2 48.2 -58.6 -46.8 -17.0 39.6 45.7 245 69 B A H X S+ 0 0 1 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.921 114.3 46.0 -61.6 -44.5 -13.7 37.7 45.1 246 70 B R H X S+ 0 0 51 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.924 113.8 49.2 -64.6 -41.5 -12.9 39.9 42.0 247 71 B A H X S+ 0 0 0 -4,-2.9 4,-1.6 -5,-0.2 -2,-0.2 0.905 110.9 49.8 -63.4 -46.2 -13.8 43.1 43.9 248 72 B A H >X S+ 0 0 0 -4,-2.8 4,-0.6 2,-0.2 3,-0.5 0.957 112.6 46.3 -59.4 -49.3 -11.7 42.1 46.9 249 73 B L H >< S+ 0 0 0 -4,-2.5 3,-1.2 1,-0.3 4,-0.3 0.900 110.3 54.1 -61.6 -40.2 -8.7 41.3 44.7 250 74 B A H >< S+ 0 0 1 -4,-2.7 3,-1.7 1,-0.2 -1,-0.3 0.800 95.2 69.6 -61.1 -29.7 -9.2 44.6 42.8 251 75 B A H X<>S+ 0 0 0 -4,-1.6 5,-2.0 -3,-0.5 3,-1.9 0.736 80.2 75.6 -64.3 -21.8 -9.1 46.5 46.1 252 76 B R G X<5S+ 0 0 49 -3,-1.2 3,-1.3 -4,-0.6 -1,-0.3 0.845 86.8 62.8 -54.1 -32.0 -5.4 45.7 46.4 253 77 B Q G < 5S+ 0 0 101 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.664 106.9 43.3 -69.6 -14.7 -4.9 48.4 43.7 254 78 B Q G < 5S- 0 0 33 -3,-1.9 -1,-0.3 -4,-0.2 -2,-0.2 0.275 115.6-114.4-114.2 8.9 -6.3 50.9 46.3 255 79 B G T < 5S+ 0 0 56 -3,-1.3 -3,-0.2 -4,-0.3 -2,-0.1 0.733 90.0 105.6 70.6 26.3 -4.4 49.6 49.2 256 80 B K >< + 0 0 76 -5,-2.0 4,-2.3 -8,-0.1 5,-0.3 0.088 29.4 119.8-128.1 23.6 -7.5 48.4 51.0 257 81 B Y H > S+ 0 0 17 -6,-0.3 4,-3.0 1,-0.2 5,-0.2 0.940 79.5 45.1 -52.9 -54.9 -7.5 44.6 50.5 258 82 B E H > S+ 0 0 99 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.931 114.7 45.7 -61.4 -49.7 -7.5 43.8 54.3 259 83 B A H > S+ 0 0 52 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.898 116.1 47.6 -60.1 -41.4 -10.1 46.3 55.4 260 84 B F H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 5,-0.3 0.942 110.1 52.4 -66.7 -46.3 -12.4 45.3 52.5 261 85 B H H X S+ 0 0 2 -4,-3.0 4,-2.8 -5,-0.3 5,-0.2 0.926 112.0 44.7 -53.7 -53.9 -11.9 41.6 53.2 262 86 B W H X S+ 0 0 44 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.889 114.3 49.9 -57.9 -40.4 -12.9 42.0 56.9 263 87 B A H < S+ 0 0 29 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.892 114.2 44.4 -69.6 -41.0 -15.9 44.2 56.0 264 88 B L H >< S+ 0 0 0 -4,-2.9 3,-1.6 2,-0.2 -2,-0.2 0.952 113.9 48.8 -63.1 -52.0 -17.2 41.7 53.4 265 89 B X H 3< S+ 0 0 4 -4,-2.8 -2,-0.2 -5,-0.3 -1,-0.2 0.779 115.9 45.4 -65.3 -23.6 -16.6 38.7 55.6 266 90 B G T 3< S+ 0 0 47 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.333 89.3 118.9 -97.0 6.7 -18.4 40.5 58.5 267 91 B X < - 0 0 16 -3,-1.6 4,-0.1 -4,-0.1 -3,-0.1 -0.239 60.9-133.4 -75.9 164.9 -21.4 41.8 56.5 268 92 B S S S+ 0 0 121 2,-0.1 -1,-0.1 0, 0.0 3,-0.1 0.924 77.1 43.7 -85.5 -49.8 -25.1 41.0 57.0 269 93 B G S S- 0 0 37 1,-0.2 2,-0.2 6,-0.1 -2,-0.1 0.044 100.9 -57.5 -84.0-165.4 -26.6 40.2 53.7 270 94 B K - 0 0 132 1,-0.1 2,-1.4 -64,-0.0 -1,-0.2 -0.518 48.8-118.6 -65.2 138.1 -25.6 38.2 50.6 271 95 B A + 0 0 0 -2,-0.2 -27,-0.3 4,-0.1 2,-0.2 -0.721 64.8 136.0 -76.5 92.4 -22.3 39.1 49.0 272 96 B N S > S- 0 0 53 -2,-1.4 4,-3.2 -29,-0.1 5,-0.4 -0.744 72.8 -78.5-129.5-178.7 -23.7 40.1 45.6 273 97 B E H > S+ 0 0 109 -2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.910 129.5 41.3 -51.6 -48.2 -23.1 43.0 43.2 274 98 B T H > S+ 0 0 106 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.870 118.7 44.8 -70.9 -37.4 -25.2 45.5 45.2 275 99 B G H > S+ 0 0 7 2,-0.2 4,-2.4 -5,-0.2 -2,-0.2 0.887 113.1 50.2 -73.3 -40.2 -24.0 44.4 48.7 276 100 B V H X S+ 0 0 0 -4,-3.2 4,-2.6 2,-0.2 -2,-0.2 0.925 112.5 47.0 -63.5 -46.5 -20.3 44.2 47.7 277 101 B L H X S+ 0 0 21 -4,-2.0 4,-1.9 -5,-0.4 -1,-0.2 0.850 110.4 53.0 -67.0 -34.4 -20.4 47.7 46.2 278 102 B R H X S+ 0 0 88 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.946 111.8 45.0 -62.0 -48.8 -22.2 49.0 49.3 279 103 B I H X S+ 0 0 5 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.881 108.6 58.5 -61.2 -39.4 -19.5 47.6 51.5 280 104 B A H <>S+ 0 0 0 -4,-2.6 5,-2.7 1,-0.2 -1,-0.2 0.910 106.7 47.2 -57.9 -43.5 -16.8 49.0 49.1 281 105 B R H ><5S+ 0 0 147 -4,-1.9 3,-1.4 3,-0.2 -1,-0.2 0.894 107.9 57.0 -63.6 -41.9 -18.2 52.5 49.6 282 106 B E H 3<5S+ 0 0 129 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.861 107.9 46.5 -57.5 -37.9 -18.2 51.9 53.4 283 107 B V T 3<5S- 0 0 32 -4,-1.9 -1,-0.3 -3,-0.1 -2,-0.2 0.349 123.6-105.6 -88.6 4.6 -14.4 51.1 53.4 284 108 B G T < 5 + 0 0 48 -3,-1.4 -3,-0.2 1,-0.2 2,-0.2 0.666 64.4 155.2 84.0 21.3 -13.7 54.1 51.2 285 109 B L < - 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0 0 14 -4,-2.8 3,-1.6 -5,-0.2 -1,-0.2 -0.913 60.9-172.7-119.5 99.8 7.1 47.8 43.7 573 49 D P T 3 S+ 0 0 21 0, 0.0 -569,-0.1 0, 0.0 -1,-0.1 0.502 83.6 62.3 -73.9 -1.4 9.3 44.7 43.7 574 50 D N T 3 S+ 0 0 74 -31,-0.1 -29,-1.2 -573,-0.1 -30,-0.8 0.305 76.1 108.8-105.4 7.2 12.3 46.9 42.8 575 51 D V E < - n 0 545D 1 -3,-1.6 -35,-3.1 -32,-0.2 2,-0.4 -0.721 53.4-157.4 -84.1 132.1 12.3 49.0 46.0 576 52 D R E -Mn 539 546D 34 -31,-2.8 -29,-3.0 -2,-0.4 2,-0.4 -0.922 8.1-150.1-106.7 134.8 15.1 48.4 48.4 577 53 D L E -Mn 538 547D 6 -39,-2.4 -39,-2.2 -2,-0.4 2,-0.4 -0.891 11.1-170.9-108.8 137.3 14.6 49.3 52.1 578 54 D V E -Mn 537 548D 3 -31,-2.5 -29,-2.5 -2,-0.4 2,-0.5 -0.998 15.1-147.5-123.5 130.9 17.3 50.4 54.5 579 55 D Y E - n 0 549D 4 -43,-2.0 2,-0.6 -2,-0.4 -29,-0.2 -0.850 11.1-167.8-103.8 131.8 16.5 50.8 58.2 580 56 D R E - n 0 550D 1 -31,-3.0 -29,-1.9 -2,-0.5 2,-0.6 -0.961 15.8-148.0-111.3 108.5 17.9 53.3 60.7 581 57 D E E + n 0 551D 0 -2,-0.6 73,-0.2 -31,-0.2 74,-0.2 -0.678 25.5 173.0 -69.9 116.4 17.0 52.4 64.2 582 58 D W - 0 0 26 -31,-2.6 2,-0.5 -2,-0.6 8,-0.1 -0.692 12.7-166.7-132.7 78.4 16.9 55.9 65.8 583 59 D P + 0 0 21 0, 0.0 -31,-0.1 0, 0.0 7,-0.1 -0.568 29.2 144.1 -73.5 116.9 15.5 55.6 69.4 584 60 D I + 0 0 68 -2,-0.5 3,-0.1 5,-0.0 -32,-0.1 0.440 51.3 76.5-125.8 -10.6 14.6 59.1 70.6 585 61 D L S S- 0 0 93 1,-0.2 2,-0.3 2,-0.0 3,-0.2 0.436 101.4 -78.9 -95.9 3.2 11.5 58.6 72.8 586 62 D G > - 0 0 43 1,-0.2 4,-2.1 2,-0.1 -1,-0.2 -0.865 62.8 -41.8 139.1-170.0 13.1 57.2 75.9 587 63 D E H > S+ 0 0 183 -2,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.847 128.3 52.2 -66.3 -36.8 14.7 54.3 77.7 588 64 D G H > S+ 0 0 8 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.929 110.0 49.5 -63.2 -46.4 12.0 51.8 76.5 589 65 D S H > S+ 0 0 2 1,-0.2 4,-2.4 2,-0.2 -36,-0.3 0.883 110.1 51.4 -60.6 -39.0 12.7 52.9 72.9 590 66 D D H X S+ 0 0 63 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.936 110.3 48.0 -62.2 -46.1 16.4 52.5 73.5 591 67 D F H X S+ 0 0 31 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.925 112.3 50.8 -59.0 -45.8 15.9 48.9 74.8 592 68 D A H X S+ 0 0 0 -4,-2.8 4,-2.6 27,-0.3 -1,-0.2 0.898 110.3 47.9 -59.6 -44.5 13.7 48.1 71.8 593 69 D A H X S+ 0 0 2 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.928 113.5 47.3 -64.8 -45.3 16.2 49.4 69.3 594 70 D R H X S+ 0 0 46 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.928 113.2 49.0 -60.5 -45.5 19.1 47.5 70.9 595 71 D A H X S+ 0 0 0 -4,-2.8 4,-1.7 2,-0.2 -2,-0.2 0.926 110.7 49.9 -59.3 -48.3 17.0 44.3 71.1 596 72 D A H X S+ 0 0 0 -4,-2.6 4,-0.6 1,-0.2 3,-0.2 0.935 112.1 47.4 -57.9 -46.9 15.9 44.6 67.4 597 73 D L H >< S+ 0 0 0 -4,-2.5 3,-1.1 1,-0.2 4,-0.3 0.899 110.4 52.9 -63.5 -36.5 19.6 45.1 66.3 598 74 D A H >< S+ 0 0 1 -4,-2.3 3,-1.7 1,-0.3 4,-0.3 0.808 96.1 69.0 -66.8 -30.5 20.6 42.1 68.4 599 75 D A H ><>S+ 0 0 0 -4,-1.7 5,-1.9 1,-0.3 3,-1.5 0.720 80.9 75.6 -65.2 -21.3 18.0 40.0 66.7 600 76 D R G X<5S+ 0 0 52 -3,-1.1 3,-1.4 -4,-0.6 -1,-0.3 0.852 87.1 62.5 -51.6 -35.5 20.0 40.1 63.5 601 77 D Q G < 5S+ 0 0 97 -3,-1.7 -1,-0.2 -4,-0.3 -2,-0.2 0.711 106.6 43.5 -66.8 -17.7 22.3 37.6 65.2 602 78 D Q G < 5S- 0 0 34 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.255 114.8-113.5-111.6 9.0 19.5 35.1 65.3 603 79 D G T < 5S+ 0 0 71 -3,-1.4 -3,-0.2 -4,-0.2 -2,-0.1 0.704 90.8 103.5 73.7 21.2 18.2 35.8 61.8 604 80 D K >< + 0 0 67 -5,-1.9 4,-2.3 1,-0.1 5,-0.2 0.089 30.8 118.7-125.8 21.0 14.9 37.3 63.0 605 81 D Y H > S+ 0 0 17 -6,-0.3 4,-3.1 1,-0.2 5,-0.2 0.935 80.3 44.8 -54.8 -52.7 15.3 41.0 62.6 606 82 D E H > S+ 0 0 61 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.922 114.1 46.7 -63.0 -48.2 12.4 41.5 60.1 607 83 D A H > S+ 0 0 7 -413,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.893 116.4 47.0 -57.5 -42.9 9.9 39.3 62.0 608 84 D F H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.934 109.5 52.4 -69.5 -46.6 10.8 41.0 65.3 609 85 D H H X S+ 0 0 3 -4,-3.1 4,-2.7 -5,-0.2 5,-0.2 0.933 111.9 46.4 -51.4 -50.6 10.6 44.6 63.8 610 86 D W H X S+ 0 0 57 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.920 113.0 49.2 -61.0 -43.6 7.1 43.9 62.4 611 87 D A H < S+ 0 0 3 -4,-2.1 4,-0.3 2,-0.2 -1,-0.2 0.888 111.2 49.2 -68.2 -37.2 6.0 42.4 65.7 612 88 D L H >< S+ 0 0 0 -4,-2.8 3,-1.4 1,-0.2 -2,-0.2 0.945 112.0 48.3 -63.9 -47.5 7.3 45.3 67.7 613 89 D X H 3< S+ 0 0 6 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.770 115.1 46.6 -64.8 -21.6 5.6 47.8 65.4 614 90 D G T 3< S+ 0 0 61 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.405 90.3 117.4 -97.5 2.5 2.4 45.9 65.6 615 91 D X < - 0 0 16 -3,-1.4 2,-0.5 -4,-0.3 4,-0.1 -0.225 64.4-120.0 -79.1 160.7 2.3 45.4 69.4 616 92 D S S S+ 0 0 110 2,-0.1 -1,-0.1 7,-0.1 -2,-0.1 -0.856 76.6 4.1 -95.8 126.8 -0.2 46.6 72.0 617 93 D G S S- 0 0 49 -2,-0.5 -2,-0.1 2,-0.1 2,-0.0 -0.236 104.1 -22.0 90.6 178.8 1.3 48.8 74.6 618 94 D K - 0 0 134 1,-0.1 2,-1.5 -2,-0.1 5,-0.2 -0.286 49.8-127.4 -74.2 140.9 4.7 50.3 75.2 619 95 D A + 0 0 0 4,-0.1 -27,-0.3 -66,-0.1 2,-0.2 -0.748 60.4 138.3 -80.3 87.9 7.9 49.0 73.8 620 96 D N S > S- 0 0 61 -2,-1.5 4,-3.2 -29,-0.1 5,-0.4 -0.693 72.0 -79.3-118.7-178.5 9.7 48.8 77.2 621 97 D E H > S+ 0 0 109 -2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.915 129.8 42.3 -48.8 -54.9 12.0 46.1 78.7 622 98 D T H > S+ 0 0 110 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.948 118.7 44.2 -59.1 -51.5 9.1 43.8 79.7 623 99 D G H > S+ 0 0 7 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.890 112.8 50.8 -63.8 -43.0 7.1 44.2 76.5 624 100 D V H X S+ 0 0 0 -4,-3.2 4,-2.7 1,-0.2 -1,-0.2 0.910 112.0 47.3 -62.6 -45.6 10.1 43.9 74.1 625 101 D L H X S+ 0 0 19 -4,-2.2 4,-2.3 -5,-0.4 -1,-0.2 0.883 110.9 52.2 -64.0 -37.7 11.2 40.7 75.8 626 102 D R H X S+ 0 0 86 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.951 111.6 45.5 -60.6 -50.5 7.7 39.3 75.6 627 103 D I H X S+ 0 0 6 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.890 110.5 56.5 -60.4 -40.4 7.4 40.1 71.9 628 104 D A H <>S+ 0 0 0 -4,-2.7 5,-2.6 1,-0.2 3,-0.4 0.912 107.4 46.2 -55.6 -47.4 10.9 38.6 71.4 629 105 D R H ><5S+ 0 0 137 -4,-2.3 3,-1.7 1,-0.2 -1,-0.2 0.900 109.8 56.6 -62.1 -38.4 9.9 35.3 73.0 630 106 D E H 3<5S+ 0 0 65 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.758 106.0 48.7 -70.8 -23.2 6.7 35.4 70.8 631 107 D V T 3<5S- 0 0 1 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.267 124.7-102.9 -95.6 11.5 8.8 35.6 67.6 632 108 D G T < 5 + 0 0 41 -3,-1.7 -3,-0.2 1,-0.2 2,-0.2 0.651 67.5 152.9 82.9 18.9 11.0 32.7 68.7 633 109 D L < - 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