==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 17-MAY-09 3HHT . COMPND 2 MOLECULE: NITRILE HYDRATASE ALPHA SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS PALLIDUS; . AUTHOR J.C.VAN WYK,B.T.SEWELL,D.A.COWAN,M.F.SAYED,T.L.TSEKOA, . 429 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18730.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 275 64.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 4.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 7.2 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 . 1 0.2 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 . 21 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 132 30.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 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 2 2 1 1 2 0 0 2 2 0 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 1 2 0 0 0 2 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 0 0 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 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 10 A I 0 0 149 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 119.0 134.1 73.5 92.7 2 11 A D > - 0 0 62 3,-0.2 3,-2.5 1,-0.1 0, 0.0 -0.664 360.0-133.4 -71.9 125.3 131.0 73.2 90.5 3 12 A P T 3 S+ 0 0 119 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.609 103.9 64.8 -68.0 -5.9 131.0 76.5 88.6 4 13 A R T 3 S+ 0 0 173 1,-0.2 3,-0.2 2,-0.1 -2,-0.0 0.722 111.7 36.3 -74.4 -21.7 127.3 76.9 89.3 5 14 A F X + 0 0 75 -3,-2.5 3,-1.8 1,-0.1 4,-0.2 -0.166 63.2 131.2-129.7 37.5 128.2 77.3 93.0 6 15 A P G > S+ 0 0 60 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.833 73.3 66.9 -63.4 -25.5 131.5 79.1 93.5 7 16 A H G 3 S+ 0 0 103 1,-0.3 261,-0.2 -3,-0.2 -2,-0.1 0.517 88.3 65.9 -74.0 -6.2 129.8 81.3 96.1 8 17 A H G < S+ 0 0 110 -3,-1.8 -1,-0.3 1,-0.1 -3,-0.0 0.517 90.4 75.8 -81.0 -13.1 129.4 78.3 98.4 9 18 A H S < S- 0 0 81 -3,-1.7 -1,-0.1 -4,-0.2 260,-0.1 -0.884 70.3-157.9-111.8 100.6 133.2 78.2 98.8 10 19 A P - 0 0 58 0, 0.0 259,-0.1 0, 0.0 -2,-0.0 -0.375 30.2-100.0 -70.7 156.1 134.8 80.8 101.1 11 20 A R - 0 0 113 1,-0.1 2,-0.1 -2,-0.1 5,-0.0 -0.531 44.0-114.7 -63.3 139.4 138.4 81.7 100.8 12 21 A P >> - 0 0 74 0, 0.0 3,-1.6 0, 0.0 4,-1.0 -0.393 21.8-114.3 -71.2 155.4 140.3 79.9 103.5 13 22 A Q H 3> S+ 0 0 93 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.869 117.0 67.3 -63.2 -26.0 141.9 82.2 106.2 14 23 A S H 3> S+ 0 0 60 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.798 94.5 57.2 -57.0 -32.4 145.3 81.0 104.8 15 24 A F H <> S+ 0 0 28 -3,-1.6 4,-2.8 2,-0.2 -1,-0.2 0.919 105.5 48.6 -63.1 -47.7 144.4 82.8 101.6 16 25 A W H X S+ 0 0 13 -4,-1.0 4,-2.2 2,-0.2 -2,-0.2 0.895 111.9 50.0 -60.9 -42.1 144.1 86.1 103.5 17 26 A E H X S+ 0 0 60 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.945 113.6 45.1 -58.9 -48.9 147.4 85.5 105.3 18 27 A A H X S+ 0 0 1 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.881 112.2 51.8 -61.4 -42.0 149.1 84.8 102.0 19 28 A R H X S+ 0 0 26 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.880 107.3 53.2 -64.1 -40.1 147.5 87.8 100.3 20 29 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.936 111.0 46.3 -59.2 -46.1 148.7 90.0 103.2 21 30 A K H X S+ 0 0 36 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.871 111.5 52.1 -66.0 -36.9 152.3 88.8 102.7 22 31 A A H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.918 110.3 47.7 -64.3 -45.8 152.0 89.3 99.0 23 32 A L H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 5,-0.3 0.937 113.2 49.1 -58.2 -49.3 150.8 92.8 99.4 24 33 A E H X S+ 0 0 23 -4,-2.5 4,-2.3 1,-0.2 5,-0.3 0.948 113.2 46.3 -54.9 -50.3 153.6 93.5 101.9 25 34 A S H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.926 115.0 45.0 -64.0 -47.2 156.3 92.1 99.6 26 35 A L H X S+ 0 0 1 -4,-2.7 4,-2.0 2,-0.2 6,-0.2 0.901 113.5 49.6 -62.3 -44.9 155.1 93.9 96.5 27 36 A L H <>S+ 0 0 0 -4,-2.7 5,-2.1 -5,-0.2 6,-1.5 0.877 113.3 46.1 -66.6 -36.1 154.6 97.2 98.2 28 37 A I H ><5S+ 0 0 7 -4,-2.3 3,-1.5 -5,-0.3 -2,-0.2 0.941 112.4 50.9 -68.7 -46.7 158.1 97.1 99.8 29 38 A E H 3<5S+ 0 0 102 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.847 110.7 49.3 -57.3 -36.8 159.7 96.0 96.5 30 39 A K T 3<5S- 0 0 87 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.418 117.4-112.3 -85.7 0.3 158.1 98.8 94.6 31 40 A G T < 5S+ 0 0 33 -3,-1.5 -3,-0.2 -4,-0.3 -2,-0.1 0.551 87.3 113.7 84.2 8.7 159.2 101.4 97.2 32 41 A H S - 0 0 0 -2,-0.3 4,-1.9 284,-0.1 5,-0.2 -0.932 31.1-113.0-136.8 160.3 159.1 100.0 104.3 35 44 A S H > S+ 0 0 32 281,-2.2 4,-2.3 -2,-0.3 282,-0.2 0.902 117.7 48.6 -57.1 -45.4 159.5 97.5 107.2 36 45 A D H > S+ 0 0 36 280,-0.9 4,-2.0 1,-0.2 -1,-0.2 0.795 106.5 55.5 -71.8 -29.7 159.7 100.3 109.7 37 46 A A H > S+ 0 0 0 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.931 110.5 46.0 -65.6 -44.6 156.6 102.1 108.4 38 47 A I H X S+ 0 0 7 -4,-1.9 4,-1.9 1,-0.2 3,-0.3 0.945 113.8 48.5 -63.9 -47.2 154.5 98.9 108.9 39 48 A E H X S+ 0 0 110 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.879 105.5 58.9 -62.2 -37.6 156.0 98.3 112.3 40 49 A R H X S+ 0 0 39 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.880 106.6 47.5 -59.4 -43.7 155.3 101.9 113.4 41 50 A V H X S+ 0 0 0 -4,-1.5 4,-2.3 -3,-0.3 5,-0.3 0.921 111.2 50.2 -62.2 -47.6 151.6 101.5 112.8 42 51 A I H X S+ 0 0 11 -4,-1.9 4,-2.9 1,-0.2 5,-0.4 0.943 110.8 49.6 -59.4 -46.5 151.4 98.2 114.6 43 52 A K H X>S+ 0 0 105 -4,-2.7 4,-2.0 1,-0.2 5,-1.8 0.910 109.8 52.7 -57.8 -44.5 153.2 99.7 117.6 44 53 A H H <>S+ 0 0 16 -4,-1.9 5,-2.1 -5,-0.2 4,-0.4 0.944 118.2 32.2 -57.9 -52.7 150.9 102.6 117.7 45 54 A Y H <5S+ 0 0 6 -4,-2.3 75,-0.4 3,-0.2 -2,-0.2 0.858 123.7 43.4 -80.6 -34.6 147.6 100.7 117.7 46 55 A E H <5S+ 0 0 32 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.2 0.853 135.4 5.8 -78.9 -32.5 148.6 97.7 119.7 47 56 A H T <5S+ 0 0 131 -4,-2.0 -3,-0.2 -5,-0.4 -2,-0.1 0.735 123.4 51.1-123.5 -39.5 150.7 99.5 122.4 48 57 A E T - 0 0 0 65,-0.3 3,-1.5 -2,-0.2 4,-0.5 -0.942 68.9 -73.3 166.0 176.3 144.2 102.0 124.4 51 60 A P T 3> S+ 0 0 27 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.627 107.3 84.9 -72.9 -8.3 141.2 102.6 126.7 52 61 A M H 3> S+ 0 0 96 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.812 85.5 58.6 -62.1 -23.4 143.3 104.0 129.5 53 62 A N H <> S+ 0 0 24 -3,-1.5 4,-1.7 64,-0.2 -1,-0.2 0.968 107.8 43.5 -70.6 -47.8 143.0 107.4 127.7 54 63 A G H > S+ 0 0 0 63,-1.7 4,-2.5 -4,-0.5 -2,-0.2 0.903 110.8 57.3 -58.7 -39.7 139.2 107.3 127.9 55 64 A A H X S+ 0 0 5 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.878 103.9 51.9 -60.7 -39.8 139.6 106.2 131.5 56 65 A K H X S+ 0 0 114 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.889 110.2 49.4 -60.1 -42.2 141.6 109.2 132.3 57 66 A V H X S+ 0 0 2 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.926 111.3 48.3 -65.5 -42.5 139.0 111.4 130.8 58 67 A V H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.934 112.1 48.5 -63.2 -47.1 136.2 109.7 132.8 59 68 A A H X S+ 0 0 0 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.872 111.4 50.9 -63.8 -36.9 138.1 110.0 136.1 60 69 A K H X S+ 0 0 60 -4,-2.2 4,-2.3 2,-0.2 8,-0.3 0.909 109.7 50.2 -66.4 -42.8 138.9 113.7 135.5 61 70 A A H < S+ 0 0 3 -4,-2.3 7,-0.3 1,-0.2 -2,-0.2 0.892 111.3 48.8 -62.0 -39.0 135.2 114.3 134.8 62 71 A W H < S+ 0 0 31 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.832 119.6 37.6 -67.0 -32.3 134.2 112.5 138.0 63 72 A T H < S+ 0 0 49 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.719 117.8 46.4 -95.6 -21.6 136.8 114.5 140.1 64 73 A D X - 0 0 51 -4,-2.3 4,-2.5 -5,-0.1 3,-0.2 -0.883 59.1-171.0-131.0 93.9 136.6 118.0 138.5 65 74 A P H > S+ 0 0 102 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.825 88.8 55.4 -57.4 -34.2 133.0 119.3 137.9 66 75 A A H > S+ 0 0 50 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.922 109.3 47.1 -64.1 -45.1 134.3 122.2 135.8 67 76 A F H > S+ 0 0 1 -3,-0.2 4,-3.0 -7,-0.2 5,-0.2 0.932 110.8 52.2 -59.0 -47.7 136.1 119.9 133.5 68 77 A K H X S+ 0 0 60 -4,-2.5 4,-2.4 -7,-0.3 5,-0.2 0.929 109.7 48.9 -54.3 -47.2 133.0 117.6 133.2 69 78 A Q H X S+ 0 0 120 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.926 113.4 46.3 -63.8 -44.5 130.9 120.6 132.2 70 79 A R H X S+ 0 0 110 -4,-2.1 4,-2.3 1,-0.2 8,-0.2 0.921 111.2 53.5 -63.3 -39.7 133.4 121.8 129.6 71 80 A L H < S+ 0 0 0 -4,-3.0 23,-0.3 1,-0.2 -2,-0.2 0.899 112.0 43.5 -59.0 -46.7 133.8 118.2 128.2 72 81 A L H < S+ 0 0 57 -4,-2.4 3,-0.3 -5,-0.2 -1,-0.2 0.814 114.8 49.9 -72.6 -30.1 130.0 117.8 127.7 73 82 A E H < S+ 0 0 135 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.837 135.8 2.0 -72.8 -37.4 129.6 121.3 126.2 74 83 A D X + 0 0 79 -4,-2.3 4,-2.0 -5,-0.2 3,-0.2 -0.498 67.9 168.0-153.8 72.6 132.4 121.0 123.7 75 84 A S H > S+ 0 0 9 -3,-0.3 4,-3.0 1,-0.2 5,-0.3 0.838 75.2 58.6 -63.5 -34.2 134.1 117.6 123.8 76 85 A E H > S+ 0 0 49 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.922 109.5 43.4 -65.0 -43.6 136.0 118.0 120.5 77 86 A T H > S+ 0 0 67 -3,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.941 117.1 46.8 -64.5 -44.9 137.9 121.1 121.8 78 87 A V H X S+ 0 0 7 -4,-2.0 4,-1.4 -8,-0.2 -2,-0.2 0.920 112.5 47.4 -65.7 -45.6 138.5 119.6 125.2 79 88 A L H X>S+ 0 0 3 -4,-3.0 5,-2.2 1,-0.2 4,-0.5 0.889 111.2 52.4 -66.0 -39.9 139.7 116.2 124.0 80 89 A R H ><5S+ 0 0 149 -4,-1.9 3,-1.4 -5,-0.3 -1,-0.2 0.922 105.3 54.9 -61.7 -39.5 142.0 117.8 121.4 81 90 A E H 3<5S+ 0 0 139 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.835 106.9 51.4 -61.0 -33.8 143.5 120.0 124.2 82 91 A L H 3<5S- 0 0 67 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.552 119.9-111.7 -76.3 -10.4 144.3 116.8 126.1 83 92 A G T <<5S+ 0 0 56 -3,-1.4 2,-1.6 -4,-0.5 -3,-0.2 0.472 76.6 133.0 88.7 8.7 146.0 115.3 123.0 84 93 A Y < + 0 0 42 -5,-2.2 2,-0.3 -6,-0.2 -1,-0.1 -0.623 43.8 106.6 -94.3 77.1 143.4 112.6 122.4 85 94 A Y + 0 0 49 -2,-1.6 2,-0.3 31,-0.2 5,-0.2 -0.979 33.1 90.6-153.7 145.9 143.1 113.3 118.7 86 95 A G S > S+ 0 0 0 3,-0.4 3,-2.5 -2,-0.3 244,-0.2 -0.979 72.4 2.7 156.2-158.5 144.2 111.7 115.5 87 96 A L T 3 S+ 0 0 8 242,-2.1 28,-0.1 -2,-0.3 245,-0.1 -0.305 133.3 4.7 -59.3 128.9 143.1 109.3 112.8 88 97 A Q T 3 S+ 0 0 2 27,-0.1 27,-0.4 26,-0.1 -1,-0.3 0.643 125.3 72.6 63.5 21.5 139.5 108.1 113.5 89 98 A G < + 0 0 2 -3,-2.5 -3,-0.4 25,-0.2 3,-0.3 -0.063 53.8 113.3-148.9 36.9 139.4 110.5 116.4 90 99 A E S S+ 0 0 8 1,-0.3 2,-0.3 73,-0.2 74,-0.1 0.749 89.1 27.5 -78.5 -28.2 139.1 113.9 114.7 91 100 A H S S+ 0 0 13 72,-0.4 74,-2.5 2,-0.0 2,-0.5 -0.795 77.1 171.8-141.5 87.0 135.5 114.5 116.0 92 101 A I E -a 165 0A 4 -2,-0.3 2,-0.3 -3,-0.3 74,-0.2 -0.920 11.1-165.6-109.2 127.7 134.8 112.7 119.2 93 102 A R E -a 166 0A 47 72,-3.2 74,-2.4 -2,-0.5 2,-0.5 -0.833 10.7-143.5-109.8 142.7 131.5 113.3 121.2 94 103 A V E -a 167 0A 14 -2,-0.3 2,-0.5 -23,-0.3 74,-0.2 -0.928 10.5-162.1-109.0 131.4 130.9 112.3 124.8 95 104 A V E -a 168 0A 14 72,-2.3 74,-2.8 -2,-0.5 2,-0.5 -0.950 16.0-135.0-120.3 126.9 127.4 111.1 125.8 96 105 A E E -a 169 0A 76 -2,-0.5 2,-0.3 72,-0.2 72,-0.1 -0.691 5.5-140.6 -92.0 123.7 126.6 111.1 129.5 97 106 A N + 0 0 7 72,-2.5 2,-0.2 -2,-0.5 5,-0.2 -0.590 27.6 178.9 -72.6 140.9 124.8 108.2 131.2 98 107 A T B > -B 101 0B 49 3,-2.4 3,-0.6 -2,-0.3 73,-0.1 -0.754 46.2 -86.7-132.5 180.0 122.3 109.4 133.8 99 108 A D T 3 S+ 0 0 122 1,-0.3 3,-0.1 -2,-0.2 -2,-0.0 0.839 127.9 25.5 -64.0 -32.4 119.9 107.6 136.1 100 109 A T T 3 S+ 0 0 76 1,-0.1 54,-2.8 53,-0.1 2,-0.4 0.321 116.0 67.1-113.8 4.9 117.2 107.3 133.5 101 110 A V E < -Bc 98 154B 14 -3,-0.6 -3,-2.4 52,-0.2 2,-0.5 -0.990 56.4-174.8-130.6 120.8 119.2 107.5 130.2 102 111 A H E - c 0 155B 2 52,-2.8 54,-2.6 -2,-0.4 2,-0.4 -0.981 11.3-153.7-116.7 127.9 121.6 104.7 129.2 103 112 A N E - c 0 156B 2 -2,-0.5 2,-0.4 52,-0.2 54,-0.2 -0.811 12.0-178.4-103.8 140.3 123.8 105.2 126.1 104 113 A V E - c 0 157B 0 52,-2.3 54,-2.7 -2,-0.4 2,-0.3 -0.998 13.0-148.9-137.6 136.4 125.2 102.4 123.9 105 114 A V E + c 0 158B 4 89,-2.4 2,-0.3 -2,-0.4 54,-0.2 -0.830 22.2 159.1-111.8 143.7 127.5 102.9 120.8 106 115 A V E - c 0 159B 0 52,-2.5 54,-2.6 -2,-0.3 2,-0.4 -0.961 37.2-141.6-148.7 164.3 127.7 100.8 117.7 107 116 A C > - 0 0 0 18,-0.4 3,-0.7 -2,-0.3 24,-0.1 -0.878 22.8-179.6-123.6 92.9 128.9 100.8 114.1 108 117 A T T 3 S+ 0 0 0 -2,-0.4 102,-0.8 1,-0.2 -1,-0.1 0.872 80.2 49.3 -63.2 -33.2 126.2 98.8 112.4 109 118 A L T 3 S- 0 0 4 100,-0.1 -1,-0.2 101,-0.1 52,-0.0 0.645 134.5 -37.7 -81.7 -14.9 127.8 99.2 108.9 110 119 A X S < S- 0 0 18 -3,-0.7 -3,-0.2 2,-0.1 21,-0.1 -0.092 86.4 -61.1-169.2 -93.1 131.4 98.2 110.0 111 120 A S + 0 0 9 49,-0.2 -3,-0.1 -5,-0.1 15,-0.1 0.315 54.3 169.4-167.5 5.6 133.4 98.8 113.2 112 121 A X + 0 0 9 48,-0.2 48,-0.2 14,-0.0 -2,-0.1 -0.082 11.7 155.8 -48.0 134.5 133.9 102.5 113.6 113 122 A Y - 0 0 4 -25,-0.1 2,-1.8 52,-0.1 54,-0.1 -0.977 52.2-100.0-164.7 141.5 135.4 103.3 117.0 114 123 A P >>> - 0 0 2 0, 0.0 4,-2.7 0, 0.0 3,-1.8 -0.451 38.9-178.7 -82.4 83.2 137.5 106.3 118.3 115 124 A W H 3>5S+ 0 0 19 -2,-1.8 4,-2.2 -27,-0.4 -65,-0.3 0.855 75.2 57.9 -51.4 -42.0 141.0 104.8 118.2 116 125 A P H 345S+ 0 0 8 0, 0.0 -1,-0.3 0, 0.0 -31,-0.2 0.768 119.7 30.7 -63.7 -23.2 142.8 107.9 119.7 117 126 A L H <45S+ 0 0 0 -3,-1.8 -63,-1.7 2,-0.2 -64,-0.2 0.782 137.9 16.7 -98.5 -40.4 140.7 107.8 122.8 118 127 A L H <5S- 0 0 2 -4,-2.7 -3,-0.2 1,-0.3 2,-0.2 0.497 90.8-135.1-117.9 -5.7 139.8 104.1 123.3 119 128 A G << - 0 0 0 -4,-2.2 -1,-0.3 -5,-0.5 -2,-0.2 -0.483 62.5 -10.1 76.5-158.9 142.3 102.1 121.2 120 129 A L S S- 0 0 4 -75,-0.4 109,-0.0 -71,-0.2 0, 0.0 -0.491 81.9-104.9 -75.8 147.2 141.1 99.2 119.0 121 130 A P - 0 0 6 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 -0.217 39.6 -88.0 -68.5 163.7 137.5 98.0 119.4 122 131 A P >> - 0 0 0 0, 0.0 4,-0.8 0, 0.0 3,-0.5 -0.239 36.4-113.1 -59.7 154.2 136.4 94.8 121.2 123 132 A S G >4 S+ 0 0 46 1,-0.2 3,-1.0 2,-0.2 4,-0.3 0.921 116.7 47.5 -50.3 -52.0 136.2 91.6 119.2 124 133 A W G >4 S+ 0 0 7 1,-0.2 3,-1.0 96,-0.2 6,-0.5 0.740 98.3 69.4 -69.9 -24.3 132.5 91.4 119.5 125 134 A Y G <4 S+ 0 0 1 -3,-0.5 -18,-0.4 1,-0.2 -1,-0.2 0.796 102.3 45.7 -64.7 -28.7 131.9 95.0 118.5 126 135 A K G << S+ 0 0 17 -3,-1.0 -1,-0.2 -4,-0.8 -2,-0.2 0.472 97.4 91.7 -91.1 -9.8 133.0 94.3 115.0 127 136 A E S <> S- 0 0 89 -3,-1.0 4,-1.6 -4,-0.3 3,-0.2 -0.514 83.4-112.8 -97.0 158.9 130.9 91.1 114.5 128 137 A P H > S+ 0 0 21 0, 0.0 4,-3.0 0, 0.0 5,-0.3 0.800 104.5 63.8 -63.0 -35.3 127.4 90.7 113.2 129 138 A A H > S+ 0 0 12 87,-0.3 4,-2.0 1,-0.2 5,-0.3 0.949 110.8 36.5 -57.0 -54.5 125.5 89.7 116.3 130 139 A Y H > S+ 0 0 1 -6,-0.5 4,-2.4 -3,-0.2 5,-0.2 0.941 119.6 49.0 -61.5 -48.9 126.2 92.9 118.2 131 140 A R H < S+ 0 0 3 -4,-1.6 4,-0.5 -7,-0.3 81,-0.2 0.889 115.7 42.3 -61.3 -41.2 125.9 95.2 115.2 132 141 A A H < S+ 0 0 0 -4,-3.0 80,-2.3 79,-0.2 4,-0.2 0.889 122.4 35.8 -70.5 -43.2 122.6 93.7 113.9 133 142 A R H >X S+ 0 0 19 -4,-2.0 4,-3.0 -5,-0.3 3,-1.2 0.773 98.4 71.1 -89.5 -31.9 120.8 93.3 117.3 134 143 A V T 3< S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.3 -3,-0.1 0.817 98.1 52.1 -66.6 -27.1 121.8 96.3 119.4 135 144 A V T 34 S+ 0 0 3 -4,-0.5 -1,-0.3 -5,-0.2 -2,-0.1 0.716 122.5 29.6 -75.7 -19.6 119.8 98.8 117.3 136 145 A K T <4 S+ 0 0 9 -3,-1.2 -2,-0.2 -4,-0.2 -1,-0.1 0.768 136.2 18.5-110.2 -40.7 116.6 96.8 117.5 137 146 A E >X + 0 0 51 -4,-3.0 4,-2.1 1,-0.1 3,-0.8 -0.400 66.2 157.5-130.8 58.7 116.7 94.9 120.9 138 147 A P H 3> S+ 0 0 0 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.840 74.3 57.4 -55.6 -34.5 119.3 96.7 123.0 139 148 A R H 3> S+ 0 0 25 1,-0.2 4,-1.8 2,-0.2 10,-0.1 0.884 107.5 47.4 -65.1 -38.0 117.8 95.4 126.2 140 149 A Q H <> S+ 0 0 88 -3,-0.8 4,-1.0 2,-0.2 -1,-0.2 0.895 114.0 47.7 -67.9 -40.0 118.3 91.8 125.1 141 150 A V H >X S+ 0 0 0 -4,-2.1 3,-0.9 1,-0.2 4,-0.6 0.940 109.4 51.7 -62.7 -50.1 121.8 92.5 124.0 142 151 A L H ><>S+ 0 0 0 -4,-3.0 5,-2.6 1,-0.3 3,-1.4 0.866 102.8 60.2 -60.9 -33.8 122.7 94.3 127.2 143 152 A K H ><5S+ 0 0 94 -4,-1.8 3,-1.5 1,-0.3 -1,-0.3 0.842 97.0 59.9 -60.4 -33.3 121.5 91.3 129.2 144 153 A E H <<5S+ 0 0 57 -4,-1.0 -1,-0.3 -3,-0.9 -2,-0.2 0.682 106.4 48.4 -67.7 -15.7 124.1 89.1 127.5 145 154 A F T <<5S- 0 0 21 -3,-1.4 -1,-0.3 -4,-0.6 -2,-0.2 0.363 126.9-102.7 -98.2 1.5 126.6 91.5 129.0 146 155 A G T < 5S+ 0 0 70 -3,-1.5 2,-0.7 -4,-0.2 -3,-0.2 0.606 84.0 125.0 87.4 12.2 125.0 91.2 132.5 147 156 A L < - 0 0 19 -5,-2.6 2,-0.7 49,-0.1 -1,-0.2 -0.913 33.7-180.0-110.7 108.1 123.3 94.6 132.3 148 157 A D - 0 0 125 -2,-0.7 -9,-0.1 -5,-0.1 -8,-0.1 -0.833 12.0-165.8-111.1 92.3 119.6 94.2 133.0 149 158 A L - 0 0 13 -2,-0.7 -6,-0.1 -10,-0.1 6,-0.0 -0.513 23.4-108.8 -81.2 144.8 118.0 97.7 132.8 150 159 A P > - 0 0 73 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.284 28.7-113.1 -63.3 156.1 114.5 98.5 134.1 151 160 A D T 3 S+ 0 0 133 1,-0.3 264,-0.3 263,-0.0 -2,-0.1 0.788 115.9 63.2 -60.9 -26.2 111.8 99.2 131.5 152 161 A S T 3 S+ 0 0 78 2,-0.1 2,-0.4 0, 0.0 -1,-0.3 0.621 81.8 89.5 -77.9 -14.5 111.7 102.7 132.9 153 162 A V S < S- 0 0 10 -3,-1.7 2,-0.3 -52,-0.1 -52,-0.2 -0.732 77.2-134.4 -80.8 126.6 115.4 103.5 131.8 154 163 A E E -c 101 0B 70 -54,-2.8 -52,-2.8 -2,-0.4 2,-0.5 -0.658 14.9-147.2 -78.7 140.1 115.5 105.0 128.3 155 164 A I E -cd 102 416B 1 260,-2.6 262,-1.8 -2,-0.3 2,-0.5 -0.942 9.3-166.1-110.9 131.5 118.2 103.5 126.0 156 165 A R E -cd 103 417B 70 -54,-2.6 -52,-2.3 -2,-0.5 2,-0.5 -0.979 6.2-161.2-114.7 116.9 119.8 105.7 123.3 157 166 A V E -cd 104 418B 1 260,-2.6 262,-3.1 -2,-0.5 2,-0.6 -0.875 5.6-153.1-100.6 130.8 121.8 103.7 120.8 158 167 A W E -cd 105 419B 13 -54,-2.7 -52,-2.5 -2,-0.5 2,-0.6 -0.938 4.7-158.2-110.8 108.5 124.3 105.8 118.8 159 168 A D E -cd 106 420B 0 260,-3.0 2,-2.1 -2,-0.6 262,-0.7 -0.836 13.6-140.6 -92.8 120.1 125.1 104.4 115.3 160 169 A S + 0 0 1 -54,-2.6 -48,-0.2 -2,-0.6 -49,-0.2 -0.403 46.0 147.0 -82.4 63.3 128.4 105.6 114.0 161 170 A S + 0 0 0 -2,-2.1 -1,-0.2 -51,-0.1 2,-0.2 0.588 62.9 37.0 -81.6 -11.9 127.4 106.1 110.4 162 171 A S S S- 0 0 3 2,-0.4 259,-0.0 -3,-0.2 -50,-0.0 -0.503 104.9 -85.1-118.5-166.3 129.7 109.1 109.7 163 172 A E S S+ 0 0 17 -2,-0.2 -72,-0.4 2,-0.1 -73,-0.2 0.563 95.0 108.9 -81.2 -6.6 133.2 110.0 110.9 164 173 A I - 0 0 1 -74,-0.1 -2,-0.4 -72,-0.1 2,-0.3 -0.504 58.9-156.3 -63.5 135.4 131.8 111.5 114.1 165 174 A R E -a 92 0A 0 -74,-2.5 -72,-3.2 -2,-0.1 2,-0.4 -0.876 4.4-147.5-117.2 157.1 132.6 109.1 117.0 166 175 A F E -a 93 0A 4 -2,-0.3 2,-0.4 -74,-0.2 -72,-0.2 -0.965 9.6-172.0-130.1 138.5 131.0 108.6 120.4 167 176 A M E -a 94 0A 1 -74,-2.4 -72,-2.3 -2,-0.4 2,-0.4 -0.997 23.3-131.2-126.1 131.0 132.3 107.7 123.8 168 177 A V E -a 95 0A 0 25,-2.5 -72,-0.2 -2,-0.4 27,-0.1 -0.658 8.3-149.2 -83.3 133.9 130.0 107.0 126.8 169 178 A L E -a 96 0A 3 -74,-2.8 -72,-2.5 -2,-0.4 24,-0.1 -0.880 22.2-154.3 -98.3 103.4 130.7 108.7 130.1 170 179 A P - 0 0 3 0, 0.0 2,-0.2 0, 0.0 28,-0.1 -0.391 20.7 -99.1 -77.7 160.2 129.5 106.2 132.7 171 180 A Q - 0 0 87 -73,-0.1 28,-0.4 1,-0.1 -73,-0.1 -0.530 36.3-107.3 -76.2 146.6 128.4 107.2 136.2 172 181 A R - 0 0 86 -2,-0.2 -1,-0.1 1,-0.1 4,-0.0 -0.477 42.6-130.3 -68.3 132.8 130.7 107.0 139.2 173 182 A P > - 0 0 15 0, 0.0 3,-0.5 0, 0.0 27,-0.1 -0.279 21.5 -92.7 -79.8 167.2 129.6 104.0 141.4 174 183 A E T 3 S+ 0 0 146 1,-0.2 0, 0.0 2,-0.1 0, 0.0 -0.283 103.2 51.0 -64.0 162.6 129.0 103.9 145.1 175 184 A G T 3 S+ 0 0 45 26,-0.2 -1,-0.2 27,-0.1 25,-0.0 0.592 78.0 103.4 86.4 10.5 131.9 102.8 147.3 176 185 A T X + 0 0 6 -3,-0.5 3,-2.0 26,-0.1 -2,-0.1 0.252 38.9 144.8-114.1 13.0 134.4 105.2 145.9 177 186 A E T 3 S+ 0 0 149 1,-0.3 3,-0.1 0, 0.0 -3,-0.0 -0.262 74.7 9.9 -50.7 129.7 134.5 107.8 148.6 178 187 A G T 3 S+ 0 0 79 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.401 89.0 141.7 80.3 -1.3 138.1 109.2 149.0 179 188 A M < - 0 0 47 -3,-2.0 -1,-0.3 1,-0.1 2,-0.1 -0.492 49.4-123.7 -72.7 143.9 139.6 107.6 146.0 180 189 A T > - 0 0 63 -2,-0.2 4,-2.7 -3,-0.1 5,-0.2 -0.328 26.9-103.0 -77.0 166.9 142.0 109.8 144.1 181 190 A E H > S+ 0 0 71 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.907 123.9 50.9 -56.6 -41.9 141.6 110.6 140.4 182 191 A E H > S+ 0 0 131 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.895 110.0 48.1 -68.0 -39.4 144.3 108.0 139.6 183 192 A E H 4 S+ 0 0 89 1,-0.2 4,-0.4 2,-0.2 3,-0.3 0.894 110.7 52.3 -66.3 -40.7 142.6 105.3 141.6 184 193 A L H >X S+ 0 0 0 -4,-2.7 3,-1.7 1,-0.2 4,-0.5 0.893 101.8 60.0 -63.5 -39.1 139.2 106.1 140.0 185 194 A A H >< S+ 0 0 19 -4,-2.2 3,-1.3 1,-0.3 -1,-0.2 0.853 96.7 61.1 -56.6 -36.8 140.7 105.8 136.5 186 195 A K T 3< S+ 0 0 180 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.676 100.8 55.2 -63.2 -20.2 141.6 102.2 137.3 187 196 A L T <4 S+ 0 0 39 -3,-1.7 2,-0.8 -4,-0.4 -1,-0.3 0.580 81.7 100.9 -82.8 -17.4 137.9 101.4 137.8 188 197 A V << - 0 0 12 -3,-1.3 2,-0.2 -4,-0.5 -133,-0.1 -0.647 62.0-157.1 -82.0 112.0 136.8 102.6 134.4 189 198 A T > - 0 0 47 -2,-0.8 4,-0.9 1,-0.1 3,-0.3 -0.533 23.8-124.0 -85.3 152.3 136.4 99.6 132.1 190 199 A R T >4 S+ 0 0 12 1,-0.2 3,-1.2 -2,-0.2 4,-0.4 0.924 112.8 57.1 -54.5 -43.8 136.5 99.7 128.3 191 200 A D G >>>S+ 0 0 5 1,-0.3 5,-1.5 2,-0.2 4,-1.3 0.851 99.3 57.9 -64.9 -33.3 133.1 98.2 128.2 192 201 A S G 345S+ 0 0 0 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.2 0.772 101.5 56.7 -65.2 -25.9 131.6 101.1 130.3 193 202 A M G <<5S+ 0 0 1 -3,-1.2 -25,-2.5 -4,-0.9 -1,-0.2 0.463 109.3 45.4 -85.4 -5.8 132.8 103.6 127.7 194 203 A I T <45S- 0 0 2 -3,-1.2 -89,-2.4 -4,-0.4 -2,-0.2 0.543 116.1-116.3 -99.1 -24.1 130.9 101.7 125.0 195 204 A G T <5S+ 0 0 0 -4,-1.3 -3,-0.2 2,-0.2 -4,-0.1 0.440 85.2 112.9 96.9 9.9 127.7 101.4 127.2 196 205 A V S - 0 0 16 -2,-1.6 3,-1.7 1,-0.1 58,-0.1 -0.245 64.6 -93.3 -95.7 178.0 124.9 94.4 101.0 207 4 B I T 3 S+ 0 0 40 1,-0.3 -1,-0.1 56,-0.2 56,-0.1 0.737 118.1 65.5 -57.3 -26.5 125.8 91.8 103.6 208 5 B H T 3 S+ 0 0 4 55,-0.2 2,-1.6 1,-0.2 -1,-0.3 0.720 81.1 81.2 -70.8 -23.2 127.6 94.4 105.6 209 6 B D < + 0 0 9 -3,-1.7 -1,-0.2 1,-0.2 -100,-0.1 -0.622 54.7 149.0 -89.8 80.2 124.4 96.4 106.3 210 7 B V > + 0 0 0 -2,-1.6 3,-2.6 -102,-0.8 -1,-0.2 0.506 13.2 131.2 -95.3 -11.4 123.2 94.2 109.2 211 8 B G T 3 S+ 0 0 10 1,-0.3 156,-0.2 -3,-0.2 -79,-0.2 -0.260 81.6 12.7 -55.3 128.4 121.3 96.6 111.4 212 9 B G T 3 S+ 0 0 17 -80,-2.3 -1,-0.3 1,-0.3 2,-0.1 0.366 93.9 138.1 85.4 0.1 117.9 95.0 112.3 213 10 B M < - 0 0 79 -3,-2.6 -1,-0.3 -85,-0.1 2,-0.3 -0.456 39.5-148.5 -77.4 151.0 118.8 91.5 111.1 214 11 B D + 0 0 110 -2,-0.1 -1,-0.0 1,-0.1 -85,-0.0 -0.776 67.5 48.9-109.3 157.4 117.9 88.4 113.0 215 12 B G + 0 0 80 -2,-0.3 -1,-0.1 -86,-0.0 -86,-0.1 0.329 67.6 110.4 101.6 -6.4 119.7 85.0 113.2 216 13 B F S S- 0 0 56 1,-0.2 -87,-0.3 -3,-0.2 -86,-0.1 0.553 70.8-145.6 -79.2 -10.3 123.2 86.1 114.0 217 14 B G - 0 0 41 -88,-0.1 -1,-0.2 -89,-0.1 -84,-0.1 -0.230 36.1 -14.3 89.5-168.6 122.9 84.7 117.5 218 15 B K - 0 0 155 1,-0.1 2,-0.3 -2,-0.0 -89,-0.2 -0.371 68.7-106.7 -70.7 150.4 124.3 85.6 120.9 219 16 B V - 0 0 11 -90,-0.2 2,-1.5 -78,-0.1 -1,-0.1 -0.656 31.1-122.8 -73.4 133.3 127.1 88.1 121.4 220 17 B M - 0 0 134 -2,-0.3 -96,-0.2 -96,-0.1 -1,-0.1 -0.626 32.8-156.2 -82.9 84.7 130.3 86.3 122.3 221 18 B Y + 0 0 117 -2,-1.5 2,-0.3 -77,-0.2 -76,-0.0 -0.382 18.4 172.2 -54.9 133.8 131.0 88.1 125.7 222 19 B V - 0 0 31 -2,-0.1 5,-0.1 5,-0.0 -98,-0.1 -0.975 38.9-104.6-143.8 143.1 134.6 88.1 126.8 223 20 B K >> - 0 0 88 -2,-0.3 3,-1.7 1,-0.1 4,-0.6 -0.383 33.6-122.3 -59.3 138.2 136.3 90.0 129.7 224 21 B E G >4 S+ 0 0 65 1,-0.3 3,-1.4 2,-0.2 -1,-0.1 0.855 111.1 57.0 -54.2 -39.5 138.2 92.9 128.3 225 22 B E G 34 S+ 0 0 169 1,-0.3 -1,-0.3 3,-0.0 -2,-0.1 0.780 112.2 43.0 -64.0 -23.0 141.5 91.7 129.9 226 23 B E G <4 S+ 0 0 103 -3,-1.7 2,-1.8 1,-0.1 -1,-0.3 0.439 84.0 105.8 -98.6 -1.4 141.1 88.4 127.9 227 24 B D << - 0 0 20 -3,-1.4 -1,-0.1 -4,-0.6 -3,-0.1 -0.504 64.2-154.6 -89.7 78.1 140.0 90.0 124.6 228 25 B I - 0 0 108 -2,-1.8 3,-0.1 1,-0.1 -2,-0.1 -0.158 10.2-149.3 -53.1 135.6 143.2 89.5 122.7 229 26 B Y S S+ 0 0 74 1,-0.2 2,-0.4 -183,-0.1 -1,-0.1 0.933 77.3 16.4 -71.8 -49.4 143.8 91.9 119.8 230 27 B F + 0 0 11 1,-0.1 -1,-0.2 -184,-0.0 3,-0.1 -0.994 45.2 172.8-135.2 132.0 145.8 89.6 117.5 231 28 B T S S+ 0 0 96 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.436 76.9 41.3-114.6 -3.9 146.2 85.9 117.3 232 29 B H S >> S- 0 0 83 1,-0.1 3,-1.2 -215,-0.0 4,-0.9 -0.996 77.3-126.8-142.3 145.9 148.1 85.7 114.0 233 30 B D H 3> S+ 0 0 121 -2,-0.3 4,-2.1 1,-0.3 3,-0.4 0.837 105.5 64.5 -61.1 -35.0 150.9 87.9 112.7 234 31 B W H 3> S+ 0 0 10 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.764 95.3 60.9 -63.5 -24.2 149.1 88.6 109.4 235 32 B E H <> S+ 0 0 21 -3,-1.2 4,-1.5 2,-0.2 -1,-0.2 0.910 105.6 45.9 -66.0 -44.8 146.4 90.5 111.3 236 33 B R H X S+ 0 0 59 -4,-0.9 4,-2.1 -3,-0.4 -2,-0.2 0.916 111.4 53.2 -59.7 -46.3 149.0 92.9 112.6 237 34 B L H X S+ 0 0 13 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.912 103.2 57.7 -56.5 -41.5 150.4 93.2 109.1 238 35 B A H X S+ 0 0 1 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.910 105.8 49.6 -55.3 -47.1 146.8 94.1 107.8 239 36 B L H X S+ 0 0 5 -4,-1.5 4,-2.1 1,-0.2 5,-0.3 0.938 111.3 48.9 -58.4 -46.5 146.7 97.0 110.1 240 37 B G H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 5,-0.2 0.898 109.4 52.0 -60.8 -37.9 150.1 98.2 109.0 241 38 B L H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 5,-0.3 0.917 108.9 50.3 -65.1 -43.9 149.2 97.9 105.3 242 39 B V H X S+ 0 0 6 -4,-2.2 4,-2.8 -5,-0.2 5,-0.2 0.972 117.1 37.0 -60.7 -54.4 146.0 99.9 105.7 243 40 B A H X S+ 0 0 9 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.887 115.2 54.7 -69.9 -38.6 147.5 102.9 107.5 244 41 B G H X S+ 0 0 0 -4,-2.2 4,-0.5 -5,-0.3 -1,-0.2 0.890 114.7 40.7 -60.0 -41.2 150.7 102.8 105.6 245 42 B C H ><>S+ 0 0 0 -4,-2.2 5,-2.4 -5,-0.2 3,-1.2 0.946 115.5 48.9 -71.6 -48.8 148.9 103.0 102.3 246 43 B M H ><5S+ 0 0 8 -4,-2.8 3,-1.7 -5,-0.3 -2,-0.2 0.879 103.4 61.1 -62.7 -35.4 146.3 105.5 103.4 247 44 B A H 3<5S+ 0 0 28 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.755 113.3 38.6 -62.4 -24.1 148.9 107.9 104.9 248 45 B Q T <<5S- 0 0 64 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.248 114.9-113.5-104.5 4.8 150.4 108.2 101.4 249 46 B G T < 5 + 0 0 16 -3,-1.7 2,-0.7 3,-0.3 -3,-0.2 0.674 61.6 155.8 66.5 24.0 147.1 108.2 99.5 250 47 B L S S- 0 0 26 134,-0.1 4,-0.8 -5,-0.1 3,-0.2 -0.836 92.4 -65.7-164.9-162.7 140.4 108.4 103.5 255 52 B F H > S+ 0 0 8 -2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.656 111.1 75.7 -86.1 -11.8 138.0 105.8 104.7 256 53 B D H > S+ 0 0 13 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.958 101.8 41.2 -63.2 -50.1 135.3 106.1 102.1 257 54 B E H > S+ 0 0 16 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.873 113.5 56.9 -61.3 -39.4 137.3 104.2 99.5 258 55 B F H X S+ 0 0 7 -4,-0.8 4,-1.1 1,-0.2 -2,-0.2 0.930 106.9 47.6 -53.7 -51.0 138.4 101.8 102.3 259 56 B R H >X S+ 0 0 5 -4,-2.5 4,-2.4 1,-0.2 3,-0.6 0.905 105.7 55.0 -68.1 -42.9 134.8 100.9 103.2 260 57 B I H 3X S+ 0 0 4 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.878 103.1 57.9 -61.9 -34.3 133.5 100.2 99.7 261 58 B G H 3< S+ 0 0 3 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.853 109.6 44.4 -63.3 -33.1 136.2 97.7 99.1 262 59 B I H X< S+ 0 0 12 -4,-1.1 3,-1.9 -3,-0.6 -2,-0.2 0.912 110.5 54.5 -69.9 -44.2 135.0 95.7 102.1 263 60 B E H 3< S+ 0 0 6 -4,-2.4 -56,-0.2 1,-0.3 -55,-0.2 0.781 102.2 59.2 -62.6 -27.6 131.4 96.1 101.1 264 61 B L T 3< S+ 0 0 84 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.477 79.9 118.4 -81.1 -4.4 132.2 94.6 97.7 265 62 B M S < S- 0 0 18 -3,-1.9 -58,-0.2 -5,-0.1 -3,-0.1 -0.267 81.4 -95.0 -56.9 148.7 133.5 91.3 99.2 266 63 B R >> - 0 0 81 1,-0.1 4,-2.6 2,-0.1 3,-1.0 -0.433 37.2-121.9 -55.2 137.3 131.6 88.1 98.3 267 64 B P H 3> S+ 0 0 75 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.886 112.5 54.6 -51.9 -41.5 129.1 87.6 101.2 268 65 B V H 3> S+ 0 0 34 1,-0.2 4,-0.6 2,-0.2 -2,-0.1 0.829 111.4 44.9 -64.5 -31.8 130.6 84.2 101.9 269 66 B D H X> S+ 0 0 11 -3,-1.0 4,-2.4 2,-0.2 3,-0.7 0.880 108.3 56.8 -74.5 -42.3 134.1 85.8 102.3 270 67 B Y H 3< S+ 0 0 10 -4,-2.6 4,-0.3 1,-0.2 -2,-0.2 0.895 111.9 43.2 -54.3 -43.0 132.7 88.7 104.4 271 68 B L H 3< S+ 0 0 89 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.635 125.1 31.5 -80.7 -17.2 131.3 86.3 107.0 272 69 B T H << S+ 0 0 51 -3,-0.7 -2,-0.2 -4,-0.6 -1,-0.2 0.552 95.5 79.4-117.3 -13.5 134.3 83.9 107.1 273 70 B S S < S- 0 0 0 -4,-2.4 4,-0.2 1,-0.1 -3,-0.1 0.695 92.2-124.2 -71.3 -19.5 137.5 85.9 106.5 274 71 B S >> - 0 0 33 -4,-0.3 3,-1.2 -5,-0.2 4,-0.9 0.112 39.1 -70.3 72.8 162.5 137.7 87.3 110.1 275 72 B Y H >> S+ 0 0 18 1,-0.3 3,-1.2 2,-0.2 4,-0.9 0.876 132.7 48.0 -59.1 -49.9 137.9 91.0 110.6 276 73 B Y H 3> S+ 0 0 6 1,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.732 99.9 69.9 -69.7 -16.2 141.4 91.8 109.4 277 74 B G H <> S+ 0 0 0 -3,-1.2 4,-2.5 2,-0.2 -1,-0.3 0.838 94.4 55.9 -61.4 -34.9 140.6 89.7 106.3 278 75 B H H S+ 0 0 0 -4,-2.5 6,-1.9 -5,-0.3 5,-1.5 0.888 116.1 42.0 -65.6 -37.0 145.4 99.1 94.9 288 85 B V H ><5S+ 0 0 36 -4,-2.0 3,-1.1 -5,-0.3 -2,-0.2 0.927 112.8 53.5 -70.9 -43.6 144.4 97.1 91.9 289 86 B D H 3<5S+ 0 0 89 -4,-2.8 -2,-0.2 -5,-0.3 -3,-0.2 0.853 113.3 42.6 -61.9 -34.5 141.4 99.4 91.1 290 87 B T T 3<5S- 0 0 59 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.473 115.7-112.5 -90.4 -6.2 143.7 102.5 91.1 291 88 B G T < 5S+ 0 0 62 -3,-1.1 -3,-0.2 -4,-0.4 -4,-0.1 0.572 83.3 120.3 87.3 11.5 146.5 100.8 89.2 292 89 B V S - 0 0 81 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.769 17.5-138.4 -92.0 132.7 148.6 94.6 88.8 295 92 B E H > S+ 0 0 106 -2,-0.4 4,-2.6 1,-0.2 5,-0.2 0.909 101.0 49.6 -63.0 -43.9 146.0 91.9 89.6 296 93 B K H > S+ 0 0 127 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.943 112.0 48.0 -62.9 -42.5 147.9 89.0 87.9 297 94 B E H > S+ 0 0 73 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.900 112.7 49.6 -61.2 -44.4 151.1 89.9 89.7 298 95 B L H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.922 110.8 49.5 -63.1 -43.3 149.3 90.1 93.0 299 96 B D H X S+ 0 0 69 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.917 111.4 49.6 -64.3 -40.1 147.6 86.7 92.5 300 97 B E H X S+ 0 0 113 -4,-2.6 4,-1.8 -5,-0.2 -1,-0.2 0.911 111.2 47.1 -63.3 -43.8 150.8 85.0 91.6 301 98 B R H X S+ 0 0 49 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.853 109.1 55.8 -66.9 -35.5 152.6 86.4 94.6 302 99 B T H X S+ 0 0 5 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.923 106.9 50.7 -58.2 -45.3 149.7 85.3 96.8 303 100 B E H X S+ 0 0 101 -4,-2.1 4,-2.4 1,-0.2 5,-0.3 0.903 106.0 55.5 -63.8 -37.2 150.1 81.8 95.4 304 101 B V H X S+ 0 0 63 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.954 112.1 42.3 -57.9 -49.9 153.8 81.8 96.2 305 102 B F H < S+ 0 0 1 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.763 111.2 55.9 -71.2 -28.0 153.1 82.6 99.9 306 103 B S H < S+ 0 0 56 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.941 115.7 37.0 -66.2 -43.3 150.2 80.1 100.1 307 104 B K H < S+ 0 0 155 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.804 133.2 27.4 -79.1 -32.4 152.5 77.3 98.9 308 105 B K >< + 0 0 141 -4,-2.3 3,-1.9 -5,-0.3 -1,-0.3 -0.712 66.5 173.1-132.8 80.3 155.5 78.5 100.9 309 106 B P T 3 S+ 0 0 57 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.712 77.7 60.3 -67.3 -20.0 154.4 80.5 103.9 310 107 B D T 3 S+ 0 0 143 2,-0.0 3,-0.1 3,-0.0 -5,-0.1 0.276 72.4 136.7 -89.3 7.8 157.9 80.9 105.3 311 108 B T < - 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I 0 417B 89 -2,-0.4 4,-2.4 -33,-0.4 3,-0.7 -0.627 19.4-121.8 -85.2 148.5 112.1 106.1 118.0 406 203 B A H 3>>S+ 0 0 4 10,-2.3 4,-2.6 8,-0.3 6,-1.3 0.854 112.5 58.9 -54.2 -39.0 111.8 102.4 118.3 407 204 B E H 3>5S+ 0 0 99 9,-0.3 4,-1.1 4,-0.3 -1,-0.3 0.906 110.2 42.6 -61.0 -38.9 108.1 102.6 117.4 408 205 B E H <45S+ 0 0 68 -3,-0.7 -2,-0.2 2,-0.2 -1,-0.2 0.902 118.9 42.7 -74.1 -43.8 109.0 104.2 114.0 409 206 B L H <5S+ 0 0 13 -4,-2.4 -2,-0.2 1,-0.1 -3,-0.2 0.911 138.5 1.7 -69.0 -42.4 111.9 101.9 113.2 410 207 B W H <5S- 0 0 53 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.479 87.7-113.1-125.9 -14.9 110.5 98.6 114.2 411 208 B G S < - I 0 399B 6 -2,-0.4 3,-2.1 -24,-0.2 -24,-0.2 -0.458 34.5-108.5 -73.8 154.4 123.8 113.4 105.0 424 221 B E G > S+ 0 0 43 -26,-2.5 3,-1.8 1,-0.3 -1,-0.1 0.821 114.8 59.9 -55.6 -42.3 121.3 116.0 103.7 425 222 B S G 3 S+ 0 0 35 1,-0.3 -1,-0.3 -27,-0.2 -71,-0.0 0.580 93.4 67.7 -68.9 -7.4 120.5 114.2 100.4 426 223 B Y G < S+ 0 0 0 -3,-2.1 -72,-2.9 -73,-0.1 2,-0.3 0.491 102.7 54.9 -80.7 -5.7 119.3 111.1 102.4 427 224 B M E < -G 353 0B 0 -3,-1.8 -74,-0.2 -74,-0.3 -76,-0.0 -0.880 57.6-161.6-134.6 161.4 116.3 113.2 103.7 428 225 B E E -G 352 0B 93 -76,-2.4 -76,-2.5 -2,-0.3 -3,-0.0 -0.960 29.7-105.7-134.7 154.1 113.3 115.3 102.8 429 226 B P E G 351 0B 57 0, 0.0 -78,-0.2 0, 0.0 -84,-0.0 -0.312 360.0 360.0 -70.0 164.3 111.1 117.8 104.7 430 227 B V 0 0 108 -80,-0.7 -79,-0.1 -79,-0.0 -58,-0.0 0.664 360.0 360.0-109.3 360.0 107.6 116.9 105.8