==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN TRANSPORT 22-JUL-03 1Q1S . COMPND 2 MOLECULE: LARGE T ANTIGEN; . SOURCE 2 SYNTHETIC: YES; . AUTHOR M.R.M.FONTES,T.TEH,G.TOTH,A.JOHN,I.PAVO,D.A.JANS,B.KOBE . 454 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19224.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 337 74.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 13 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 15.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 242 53.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 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 1 0 1 3 5 6 1 0 0 0 6 2 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 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 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 1 128 A K 0 0 121 0, 0.0 2,-0.7 0, 0.0 323,-0.1 0.000 360.0 360.0 360.0 -62.5 42.5 51.9 38.5 2 129 A K - 0 0 49 321,-0.2 2,-0.4 280,-0.1 279,-0.1 -0.545 360.0-169.5 -66.4 107.5 42.0 53.7 41.9 3 130 A R - 0 0 52 -2,-0.7 2,-0.1 1,-0.0 317,-0.1 -0.872 4.7-144.5-109.1 138.0 42.4 57.3 40.9 4 131 A K 0 0 85 -2,-0.4 274,-0.1 1,-0.2 235,-0.1 -0.287 360.0 360.0 -95.0 176.2 42.8 60.2 43.4 5 132 A V 0 0 89 -2,-0.1 -1,-0.2 235,-0.1 0, 0.0 -0.168 360.0 360.0 -64.1 360.0 41.8 63.9 43.8 6 !* 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 7 119 B D 0 0 138 0, 0.0 2,-0.3 0, 0.0 258,-0.1 0.000 360.0 360.0 360.0 150.2 21.8 74.3 54.7 8 120 B A - 0 0 61 0, 0.0 258,-0.3 0, 0.0 0, 0.0 -0.644 360.0-170.3-169.8 179.6 24.4 76.2 52.7 9 121 B Q + 0 0 77 -2,-0.3 261,-0.1 257,-0.1 298,-0.0 0.313 35.0 41.0-128.8 -87.7 26.3 73.9 50.4 10 122 B H S S+ 0 0 118 260,-0.1 297,-0.0 2,-0.0 2,-0.0 0.717 76.5 74.6 -40.8 -73.5 29.3 73.7 48.0 11 123 B A S S- 0 0 70 1,-0.1 259,-0.0 259,-0.0 0, 0.0 -0.228 72.4-113.5 -72.5 154.3 32.7 75.2 49.0 12 124 B A - 0 0 35 1,-0.2 -1,-0.1 258,-0.1 3,-0.1 -0.321 59.3 -72.7 -69.8 158.9 35.2 74.1 51.5 13 125 B P - 0 0 11 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 -0.176 62.4 -87.6 -57.4 152.3 35.6 76.4 54.5 14 126 B P - 0 0 71 0, 0.0 3,-0.1 0, 0.0 136,-0.0 -0.215 25.6-138.3 -56.4 150.5 37.3 79.7 53.9 15 127 B K S S+ 0 0 88 1,-0.2 2,-0.3 -3,-0.1 135,-0.2 0.845 90.2 18.5 -77.2 -35.6 41.1 79.7 54.3 16 128 B K - 0 0 38 92,-0.1 2,-0.4 134,-0.1 -1,-0.2 -0.960 69.3-158.0-135.3 149.6 40.9 83.0 56.1 17 129 B K - 0 0 67 -2,-0.3 2,-0.5 126,-0.2 130,-0.1 -0.997 9.0-146.7-131.9 135.4 38.1 84.9 57.8 18 130 B R - 0 0 71 -2,-0.4 2,-0.8 90,-0.1 3,-0.1 -0.879 22.9-126.5-101.7 128.3 37.9 88.6 58.5 19 131 B K + 0 0 0 -2,-0.5 86,-0.1 82,-0.2 89,-0.0 -0.649 34.1 168.4 -80.4 110.1 36.1 89.5 61.7 20 132 B V 0 0 65 -2,-0.8 -1,-0.2 46,-0.0 46,-0.1 0.691 360.0 360.0 -89.7 -23.5 33.4 92.1 61.0 21 133 B E 0 0 64 -3,-0.1 4,-0.1 44,-0.0 -2,-0.1 0.525 360.0 360.0-167.3 360.0 31.9 91.6 64.4 22 !* 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 23 64 C M 0 0 30 0, 0.0 2,-0.2 0, 0.0 78,-0.0 0.000 360.0 360.0 360.0 25.1 35.2 87.3 70.8 24 65 C A - 0 0 51 1,-0.0 2,-0.2 77,-0.0 112,-0.1 -0.621 360.0-152.6-109.0 155.6 33.4 90.4 69.7 25 66 C D - 0 0 75 -2,-0.2 -1,-0.0 1,-0.1 0, 0.0 -0.679 20.6-157.6-132.5-175.2 33.3 94.2 70.5 26 67 C I - 0 0 100 -2,-0.2 2,-0.3 1,-0.2 -1,-0.1 0.683 31.2-114.1-101.8-114.2 32.1 97.9 70.9 27 68 C G - 0 0 22 1,-0.0 -1,-0.2 6,-0.0 31,-0.0 -0.895 28.8-129.8-171.7-157.4 33.8 101.3 71.1 28 69 C S S > S+ 0 0 65 -2,-0.3 2,-1.4 26,-0.1 3,-1.0 -0.474 78.2 168.0-165.0 13.1 34.6 104.3 73.2 29 70 C N T 3 + 0 0 61 1,-0.2 0, 0.0 3,-0.2 0, 0.0 -0.346 38.9 74.1 -52.1 57.9 33.1 104.9 69.8 30 71 C Q T 3 S+ 0 0 190 -2,-1.4 3,-0.5 3,-0.0 -1,-0.2 0.389 119.4 27.5-116.3 -48.8 31.8 108.4 68.9 31 72 C G S < S+ 0 0 45 -3,-1.0 -2,-0.1 1,-0.2 27,-0.1 -0.297 115.2 60.0-106.5 43.5 35.4 109.2 68.6 32 73 C T S S+ 0 0 2 -2,-0.1 2,-0.5 25,-0.1 3,-0.4 0.112 84.5 98.9-143.4 5.5 37.0 105.9 67.6 33 74 C V S S- 0 0 75 -3,-0.5 25,-0.1 1,-0.2 26,-0.1 -0.862 94.6 -3.8-102.1 130.2 34.9 105.6 64.5 34 75 C N S S+ 0 0 129 -2,-0.5 -1,-0.2 24,-0.2 2,-0.1 0.870 81.7 172.8 57.5 45.5 36.5 106.7 61.1 35 76 C W - 0 0 59 -3,-0.4 2,-0.2 23,-0.2 -1,-0.1 -0.452 34.3-114.9 -75.8 155.6 39.8 107.9 62.5 36 77 C S > - 0 0 39 -2,-0.1 4,-2.1 1,-0.1 3,-0.2 -0.591 23.0-116.3 -87.5 157.4 42.4 108.8 60.0 37 78 C V H > S+ 0 0 39 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.834 116.3 56.8 -63.3 -31.7 45.6 106.7 59.9 38 79 C E H > S+ 0 0 149 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.894 107.3 48.7 -66.8 -37.4 47.7 109.7 60.9 39 80 C D H > S+ 0 0 84 2,-0.2 4,-2.6 -3,-0.2 -2,-0.2 0.909 110.3 50.6 -67.3 -42.2 45.5 110.1 64.0 40 81 C I H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.930 111.2 48.5 -60.8 -44.8 45.8 106.4 64.8 41 82 C V H X S+ 0 0 37 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.889 109.8 54.1 -61.6 -39.6 49.6 106.7 64.4 42 83 C K H < S+ 0 0 157 -4,-2.1 4,-0.5 1,-0.2 -2,-0.2 0.942 111.8 42.9 -59.5 -50.5 49.6 109.8 66.7 43 84 C G H >< S+ 0 0 12 -4,-2.6 3,-0.9 1,-0.2 5,-0.3 0.890 113.4 50.1 -65.4 -41.8 47.7 108.0 69.5 44 85 C I H 3< S+ 0 0 2 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.816 109.8 52.5 -68.0 -28.3 49.8 104.8 69.3 45 86 C N T 3< S+ 0 0 91 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.525 87.8 102.9 -84.4 -7.2 53.0 106.8 69.4 46 87 C S S < S- 0 0 35 -3,-0.9 -3,-0.0 -4,-0.5 6,-0.0 -0.294 82.4-122.9 -69.5 162.2 51.9 108.7 72.5 47 88 C N S S+ 0 0 176 4,-0.0 2,-0.6 5,-0.0 -1,-0.1 0.144 83.3 104.4 -91.9 22.8 53.5 107.6 75.8 48 89 C N > - 0 0 79 -5,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.901 59.6-157.6-114.6 113.3 50.0 107.0 77.1 49 90 C L H > S+ 0 0 55 -2,-0.6 4,-2.0 1,-0.2 -1,-0.1 0.839 97.8 48.9 -52.4 -40.5 48.5 103.5 77.4 50 91 C E H > S+ 0 0 104 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.878 110.7 49.6 -69.2 -38.9 44.9 104.8 77.3 51 92 C S H > S+ 0 0 48 -3,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.869 111.9 49.7 -66.5 -35.3 45.6 106.9 74.3 52 93 C Q H X S+ 0 0 33 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.878 108.5 52.8 -69.8 -37.4 47.2 103.8 72.6 53 94 C L H X S+ 0 0 19 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.923 110.3 47.2 -63.6 -44.4 44.1 101.8 73.6 54 95 C Q H X S+ 0 0 50 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.911 114.2 47.6 -62.8 -43.5 41.8 104.3 71.9 55 96 C A H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.873 110.4 51.8 -65.6 -39.1 44.0 104.4 68.8 56 97 C T H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.891 110.2 48.6 -66.6 -38.8 44.2 100.6 68.6 57 98 C Q H X S+ 0 0 8 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.911 109.6 52.4 -66.7 -41.6 40.4 100.3 68.8 58 99 C A H X S+ 0 0 0 -4,-2.1 4,-1.6 2,-0.2 -23,-0.2 0.921 110.4 48.4 -59.2 -43.6 40.1 103.0 66.1 59 100 C A H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 3,-0.3 0.930 108.9 53.3 -61.7 -45.6 42.4 101.0 63.9 60 101 C R H X S+ 0 0 13 -4,-2.5 4,-0.8 1,-0.2 -1,-0.2 0.867 107.1 52.7 -57.4 -38.2 40.5 97.8 64.6 61 102 C K H X S+ 0 0 19 -4,-2.2 4,-0.6 2,-0.2 -1,-0.2 0.834 107.3 49.7 -70.0 -32.0 37.3 99.6 63.5 62 103 C L H >< S+ 0 0 10 -4,-1.6 3,-0.7 -3,-0.3 -1,-0.2 0.916 116.2 44.1 -69.0 -41.0 38.8 100.7 60.2 63 104 C L H 3< S+ 0 0 0 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.585 115.9 49.1 -77.5 -11.9 39.9 97.0 59.7 64 105 C S H 3< S+ 0 0 10 -4,-0.8 -1,-0.2 -5,-0.2 -2,-0.2 0.415 83.6 116.1-109.1 0.7 36.6 95.7 60.9 65 106 C R S << S- 0 0 97 -3,-0.7 -3,-0.0 -4,-0.6 -44,-0.0 -0.199 77.5-104.6 -68.3 164.0 34.3 97.9 58.7 66 107 C E S S+ 0 0 124 1,-0.1 2,-0.4 2,-0.1 -1,-0.1 0.813 94.5 33.2 -60.6 -37.2 32.0 96.4 56.1 67 108 C K S S- 0 0 155 1,-0.2 -1,-0.1 0, 0.0 -2,-0.1 -0.970 114.8 -11.4-135.5 143.2 33.9 97.3 53.0 68 109 C Q - 0 0 168 -2,-0.4 -1,-0.2 1,-0.1 -2,-0.1 0.914 65.7-153.1 45.6 66.1 37.5 97.8 51.8 69 110 C P - 0 0 28 0, 0.0 2,-2.6 0, 0.0 3,-0.3 -0.475 21.9-118.1 -67.9 135.0 39.4 97.8 55.1 70 111 C P > + 0 0 14 0, 0.0 4,-1.9 0, 0.0 5,-0.2 -0.306 56.3 151.1 -71.4 60.7 42.6 99.8 54.7 71 112 C I H > S+ 0 0 14 -2,-2.6 4,-2.0 1,-0.2 5,-0.1 0.924 70.1 46.1 -60.6 -47.7 45.0 96.9 55.4 72 113 C D H > S+ 0 0 81 -3,-0.3 4,-2.9 1,-0.2 -1,-0.2 0.880 109.8 54.1 -65.4 -37.3 47.9 98.2 53.3 73 114 C N H > S+ 0 0 79 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.919 109.0 49.3 -62.6 -41.2 47.7 101.7 54.8 74 115 C I H <>S+ 0 0 0 -4,-1.9 5,-1.4 2,-0.2 6,-0.3 0.896 112.1 48.0 -64.0 -41.8 47.9 100.2 58.3 75 116 C I H ><5S+ 0 0 43 -4,-2.0 3,-2.3 1,-0.2 5,-0.2 0.953 109.0 52.7 -64.8 -48.9 50.9 98.1 57.4 76 117 C R H 3<5S+ 0 0 173 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.839 99.8 63.0 -55.7 -36.7 52.7 101.0 55.7 77 118 C A T 3<5S- 0 0 37 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.530 112.9-121.8 -67.5 -3.7 52.3 103.1 58.9 78 119 C G T < 5 + 0 0 34 -3,-2.3 4,-0.4 -4,-0.1 -3,-0.2 0.778 67.4 139.3 68.1 29.4 54.4 100.5 60.6 79 120 C L >>< + 0 0 1 -5,-1.4 4,-2.5 1,-0.2 3,-0.6 0.718 45.5 81.2 -77.4 -24.8 51.7 99.7 63.2 80 121 C I H 3> S+ 0 0 8 -6,-0.3 4,-2.9 1,-0.2 5,-0.2 0.874 89.3 51.6 -51.4 -48.3 52.1 95.9 63.3 81 122 C P H 3> S+ 0 0 75 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.857 112.1 48.6 -60.5 -33.3 55.1 95.8 65.7 82 123 C K H <> S+ 0 0 71 -3,-0.6 4,-1.8 -4,-0.4 -2,-0.2 0.953 111.2 49.0 -70.2 -49.2 53.2 98.0 68.1 83 124 C F H X S+ 0 0 0 -4,-2.5 4,-0.7 1,-0.2 -1,-0.2 0.905 110.0 52.6 -55.9 -43.5 50.1 95.9 67.9 84 125 C V H >< S+ 0 0 20 -4,-2.9 3,-0.9 1,-0.2 4,-0.5 0.895 107.1 51.2 -61.3 -41.2 52.2 92.8 68.5 85 126 C S H >< S+ 0 0 63 -4,-1.7 3,-1.1 1,-0.2 -1,-0.2 0.840 103.7 59.0 -65.6 -32.0 53.7 94.3 71.7 86 127 C F H >< S+ 0 0 4 -4,-1.8 3,-1.2 1,-0.3 -1,-0.2 0.698 90.9 70.9 -69.1 -19.5 50.2 95.1 73.0 87 128 C L T << S+ 0 0 4 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.797 97.2 52.4 -65.6 -27.6 49.4 91.4 72.8 88 129 C G T < S+ 0 0 57 -3,-1.1 2,-1.7 -4,-0.5 -1,-0.2 0.396 77.4 106.6 -90.6 4.4 51.7 91.0 75.7 89 130 C K X + 0 0 70 -3,-1.2 3,-2.4 1,-0.2 7,-0.3 -0.535 37.8 171.5 -87.4 78.4 50.2 93.6 78.0 90 131 C T G > S+ 0 0 115 -2,-1.7 3,-0.5 1,-0.3 -1,-0.2 0.735 74.0 65.4 -54.8 -26.2 48.5 91.4 80.6 91 132 C D G 3 S+ 0 0 131 1,-0.3 -1,-0.3 -3,-0.2 2,-0.1 0.599 106.6 41.1 -75.2 -12.2 47.7 94.5 82.7 92 133 C C G X> + 0 0 9 -3,-2.4 3,-1.5 -6,-0.1 4,-1.5 -0.537 64.5 173.4-136.4 68.6 45.4 95.9 80.0 93 134 C S H <> S+ 0 0 26 -3,-0.5 4,-2.6 1,-0.3 5,-0.2 0.823 76.8 63.6 -45.9 -38.3 43.3 93.0 78.6 94 135 C P H 3> S+ 0 0 63 0, 0.0 4,-2.2 0, 0.0 -1,-0.3 0.892 104.8 44.0 -59.1 -38.4 41.3 95.5 76.5 95 136 C I H <> S+ 0 0 0 -3,-1.5 4,-2.1 2,-0.2 5,-0.2 0.809 110.8 56.1 -76.4 -25.1 44.3 96.5 74.4 96 137 C Q H X S+ 0 0 7 -4,-1.5 4,-1.9 -7,-0.3 -1,-0.2 0.931 111.7 43.9 -65.8 -45.8 45.3 92.9 74.1 97 138 C F H X S+ 0 0 2 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.905 113.8 48.4 -64.9 -46.3 41.9 92.1 72.6 98 139 C E H X S+ 0 0 2 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.901 114.9 44.3 -64.1 -43.5 41.8 95.1 70.3 99 140 C S H X S+ 0 0 0 -4,-2.1 4,-3.0 2,-0.2 5,-0.2 0.869 111.3 54.7 -71.0 -33.6 45.2 94.6 68.9 100 141 C A H X S+ 0 0 0 -4,-1.9 4,-2.1 -5,-0.2 -2,-0.2 0.900 111.1 45.7 -63.5 -40.1 44.5 90.8 68.6 101 142 C W H X S+ 0 0 2 -4,-2.1 4,-2.0 2,-0.2 -82,-0.2 0.907 112.8 49.8 -68.9 -44.1 41.4 91.7 66.5 102 143 C A H X S+ 0 0 0 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.946 113.7 45.7 -60.1 -48.6 43.3 94.3 64.4 103 144 C L H X S+ 0 0 0 -4,-3.0 4,-2.7 1,-0.2 -1,-0.2 0.884 107.9 58.4 -63.1 -38.4 46.1 91.7 63.7 104 145 C T H X S+ 0 0 0 -4,-2.1 4,-0.6 -5,-0.2 -1,-0.2 0.915 108.2 45.4 -56.8 -45.4 43.5 89.0 63.0 105 146 C N H < S+ 0 0 0 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.775 111.0 51.3 -73.0 -27.5 42.0 91.2 60.2 106 147 C I H >< S+ 0 0 0 -4,-1.5 3,-1.7 1,-0.2 -1,-0.2 0.929 110.0 51.4 -71.5 -43.0 45.3 92.1 58.7 107 148 C A H 3< S+ 0 0 1 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.638 97.6 68.7 -66.6 -14.6 46.2 88.4 58.6 108 149 C S T 3< S+ 0 0 19 -4,-0.6 -1,-0.3 -5,-0.2 -2,-0.2 0.516 92.3 75.4 -82.7 -4.5 42.9 87.6 56.8 109 150 C G S < S- 0 0 21 -3,-1.7 -3,-0.1 1,-0.2 -2,-0.1 0.383 96.6 -29.7 -83.9-142.8 44.2 89.4 53.7 110 151 C T > - 0 0 80 1,-0.1 4,-2.8 -4,-0.1 5,-0.3 -0.202 64.9-101.7 -70.2 166.5 46.6 88.4 51.0 111 152 C S H > S+ 0 0 72 1,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.861 126.5 54.5 -55.2 -37.2 49.6 86.1 51.6 112 153 C E H > S+ 0 0 123 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.874 108.8 45.9 -65.8 -39.7 51.7 89.2 51.7 113 154 C Q H > S+ 0 0 21 -3,-0.3 4,-1.4 2,-0.2 -2,-0.2 0.908 113.1 49.4 -72.1 -40.1 49.5 90.8 54.4 114 155 C T H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.885 108.0 56.6 -64.2 -36.6 49.5 87.7 56.5 115 156 C K H X S+ 0 0 84 -4,-2.1 4,-3.5 -5,-0.3 -1,-0.2 0.882 100.6 56.5 -62.1 -39.2 53.3 87.6 56.1 116 157 C A H X S+ 0 0 18 -4,-1.5 4,-1.1 2,-0.2 -1,-0.2 0.900 107.6 48.8 -60.5 -40.0 53.7 91.1 57.5 117 158 C V H <>S+ 0 0 0 -4,-1.4 5,-1.5 2,-0.2 3,-0.5 0.935 113.0 46.5 -65.7 -45.1 51.8 89.9 60.7 118 159 C V H ><5S+ 0 0 18 -4,-2.2 3,-2.4 1,-0.2 5,-0.3 0.943 109.0 55.2 -61.4 -46.1 54.1 86.8 60.9 119 160 C D H 3<5S+ 0 0 102 -4,-3.5 -1,-0.2 1,-0.3 -2,-0.2 0.737 99.4 63.0 -59.0 -24.7 57.2 89.0 60.3 120 161 C G T 3<5S- 0 0 25 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.522 120.8-107.4 -78.7 -5.0 56.1 91.1 63.3 121 162 C G T <>5S+ 0 0 33 -3,-2.4 4,-1.0 -4,-0.2 -3,-0.2 0.649 72.5 142.6 89.0 17.5 56.5 88.1 65.6 122 163 C A H >< + 0 0 0 -5,-1.5 4,-2.8 1,-0.2 5,-0.3 0.811 53.1 72.2 -61.3 -35.9 52.7 87.6 66.1 123 164 C I H > S+ 0 0 3 -5,-0.3 4,-2.2 1,-0.2 5,-0.2 0.936 101.9 38.3 -51.1 -59.8 52.8 83.7 66.2 124 165 C P H > S+ 0 0 59 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.909 116.3 54.8 -61.1 -35.4 54.4 83.2 69.6 125 166 C A H X S+ 0 0 23 -4,-1.0 4,-1.6 1,-0.2 -2,-0.2 0.898 109.7 45.7 -62.4 -41.9 52.5 86.1 71.0 126 167 C F H X S+ 0 0 1 -4,-2.8 4,-0.7 2,-0.2 -1,-0.2 0.870 110.1 54.1 -69.4 -36.5 49.1 84.7 69.9 127 168 C I H >< S+ 0 0 21 -4,-2.2 3,-0.7 -5,-0.3 4,-0.3 0.874 107.6 51.1 -65.3 -34.6 50.1 81.2 71.2 128 169 C S H >< S+ 0 0 93 -4,-2.0 3,-1.1 1,-0.2 -1,-0.2 0.873 105.6 56.2 -68.3 -36.3 50.8 82.8 74.6 129 170 C L H >< S+ 0 0 10 -4,-1.6 3,-1.9 1,-0.2 -1,-0.2 0.619 85.2 82.2 -70.5 -14.8 47.3 84.5 74.5 130 171 C L T << S+ 0 0 2 -4,-0.7 -1,-0.2 -3,-0.7 -2,-0.2 0.804 90.7 51.5 -61.0 -27.2 45.7 81.1 74.1 131 172 C A T < S+ 0 0 89 -3,-1.1 -1,-0.3 -4,-0.3 -2,-0.2 0.283 81.1 136.9 -93.1 11.3 45.9 80.6 77.9 132 173 C S < - 0 0 22 -3,-1.9 6,-0.1 1,-0.1 -3,-0.0 -0.247 59.8-133.9 -58.1 144.8 44.3 84.0 78.6 133 174 C P S S+ 0 0 123 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.637 88.9 86.0 -73.5 -15.3 41.7 83.9 81.4 134 175 C H >> - 0 0 73 1,-0.2 4,-2.3 2,-0.0 3,-0.8 -0.809 69.5-155.3 -93.0 114.9 39.5 86.0 79.1 135 176 C A H 3> S+ 0 0 63 -2,-0.7 4,-2.7 1,-0.3 5,-0.2 0.914 93.4 53.0 -54.5 -49.9 37.5 83.8 76.7 136 177 C H H 3> S+ 0 0 64 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.744 111.2 48.6 -61.3 -23.3 37.0 86.5 74.1 137 178 C I H <> S+ 0 0 0 -3,-0.8 4,-2.0 2,-0.2 -1,-0.2 0.906 112.0 44.5 -83.8 -44.9 40.8 87.1 74.0 138 179 C S H X S+ 0 0 4 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.893 112.7 55.5 -64.8 -36.6 41.9 83.4 73.7 139 180 C E H X S+ 0 0 18 -4,-2.7 4,-2.5 -5,-0.3 -1,-0.2 0.930 107.0 48.1 -60.8 -45.7 39.2 83.1 71.1 140 181 C Q H X S+ 0 0 0 -4,-1.3 4,-2.9 1,-0.2 -1,-0.2 0.882 109.7 53.4 -61.5 -38.0 40.7 85.9 69.1 141 182 C A H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.917 109.2 49.0 -61.8 -43.6 44.1 84.3 69.4 142 183 C V H X S+ 0 0 1 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.916 111.5 49.3 -61.0 -45.6 42.6 81.1 68.0 143 184 C W H X S+ 0 0 27 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.944 110.6 49.8 -60.4 -50.6 41.0 83.0 65.1 144 185 C A H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.906 110.1 50.0 -55.9 -45.6 44.3 84.8 64.3 145 186 C L H X S+ 0 0 1 -4,-2.3 4,-2.8 1,-0.2 5,-0.3 0.852 107.2 56.2 -64.4 -32.3 46.2 81.5 64.3 146 187 C G H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.926 108.1 47.1 -63.7 -43.5 43.6 80.1 62.0 147 188 C N H < S+ 0 0 0 -4,-2.1 4,-0.4 2,-0.2 -2,-0.2 0.908 114.1 47.5 -64.5 -41.7 44.1 82.9 59.5 148 189 C I H >< S+ 0 0 0 -4,-2.3 3,-1.2 1,-0.2 4,-0.3 0.939 115.3 43.5 -65.9 -47.3 47.9 82.4 59.7 149 190 C A H >< S+ 0 0 0 -4,-2.8 3,-1.2 1,-0.2 7,-0.3 0.841 105.9 65.1 -67.5 -30.8 47.8 78.7 59.3 150 191 C G T 3< S+ 0 0 0 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.608 82.5 78.4 -67.6 -11.1 45.2 79.0 56.5 151 192 C D T < S- 0 0 40 -3,-1.2 2,-0.3 -4,-0.4 -1,-0.2 0.836 109.0 -82.4 -67.5 -31.1 47.7 80.8 54.3 152 193 C G <> - 0 0 13 -3,-1.2 4,-2.2 -4,-0.3 -1,-0.2 -0.941 57.5 -45.6 154.2-176.0 49.4 77.5 53.4 153 194 C S H > S+ 0 0 21 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.838 122.0 52.0 -52.5 -47.7 51.9 74.8 54.2 154 195 C A H > S+ 0 0 78 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.954 116.0 37.2 -61.2 -54.7 54.8 76.9 55.4 155 196 C F H > S+ 0 0 33 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.845 115.3 57.3 -68.6 -31.1 52.9 79.1 57.9 156 197 C R H X S+ 0 0 0 -4,-2.2 4,-1.7 -7,-0.3 -2,-0.2 0.953 111.3 41.5 -60.9 -50.4 50.8 76.1 58.9 157 198 C D H X S+ 0 0 37 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.785 112.2 55.3 -69.4 -27.7 54.0 74.2 59.8 158 199 C L H X S+ 0 0 57 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.893 106.2 51.1 -71.3 -39.5 55.5 77.3 61.4 159 200 C V H <>S+ 0 0 0 -4,-2.4 5,-1.4 1,-0.2 -2,-0.2 0.900 111.7 48.7 -62.7 -39.2 52.5 77.7 63.7 160 201 C I H ><5S+ 0 0 25 -4,-1.7 3,-1.9 1,-0.2 5,-0.3 0.916 107.7 53.2 -68.3 -42.9 52.9 74.0 64.7 161 202 C K H 3<5S+ 0 0 180 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.838 101.3 60.4 -61.2 -33.0 56.7 74.4 65.3 162 203 C H T 3<5S- 0 0 82 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.479 123.3-108.6 -73.3 0.1 55.9 77.3 67.7 163 204 C G T < 5 + 0 0 32 -3,-1.9 -3,-0.2 -5,-0.1 -2,-0.1 0.848 68.6 146.8 79.2 37.9 53.9 74.8 69.7 164 205 C A >< + 0 0 0 -5,-1.4 4,-1.9 1,-0.2 5,-0.2 0.788 58.3 69.9 -74.8 -29.0 50.3 75.9 69.0 165 206 C I H > S+ 0 0 4 -5,-0.3 4,-2.9 2,-0.2 5,-0.3 0.915 93.4 50.9 -58.8 -51.7 48.7 72.4 69.1 166 207 C D H > S+ 0 0 107 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.935 114.5 43.4 -53.1 -52.7 49.0 71.5 72.8 167 208 C P H > S+ 0 0 40 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.875 114.2 50.8 -61.7 -40.2 47.4 74.8 74.0 168 209 C L H X S+ 0 0 0 -4,-1.9 4,-0.5 1,-0.2 3,-0.4 0.945 112.4 46.2 -63.7 -46.0 44.7 74.6 71.3 169 210 C L H >< S+ 0 0 25 -4,-2.9 3,-1.1 1,-0.2 -1,-0.2 0.845 106.1 60.1 -65.7 -33.6 43.8 71.0 72.3 170 211 C A H >< S+ 0 0 63 -4,-2.2 3,-1.6 -5,-0.3 -1,-0.2 0.849 95.7 62.2 -63.1 -33.7 43.8 72.0 76.0 171 212 C L H 3< S+ 0 0 38 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.742 106.5 45.7 -64.0 -22.8 41.0 74.5 75.3 172 213 C L T << S+ 0 0 1 -3,-1.1 2,-2.1 -4,-0.5 -1,-0.3 0.326 80.7 113.3-101.0 6.4 38.9 71.5 74.2 173 214 C A < + 0 0 75 -3,-1.6 -1,-0.1 -4,-0.2 -3,-0.1 -0.457 46.6 122.8 -80.7 71.6 39.8 69.4 77.2 174 215 C V S S- 0 0 38 -2,-2.1 3,-0.2 1,-0.1 6,-0.0 -0.947 72.0-116.2-131.8 152.1 36.4 69.3 78.9 175 216 C P S S+ 0 0 140 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.882 104.6 18.0 -51.6 -44.4 34.0 66.5 79.9 176 217 C D > - 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0 0 44 -2,-0.1 -46,-0.0 1,-0.1 -48,-0.0 0.336 54.2-139.6 81.9 150.8 47.0 71.7 52.5 199 240 C K > + 0 0 85 3,-0.2 3,-0.6 1,-0.2 -1,-0.1 0.657 64.2 95.5-122.0 -18.1 49.3 69.1 50.8 200 241 C N T 3 S+ 0 0 157 1,-0.6 -1,-0.2 0, 0.0 -47,-0.1 -0.667 122.1 5.9-116.4 84.4 52.7 70.1 49.4 201 242 C P T 3 S- 0 0 77 0, 0.0 -1,-0.6 0, 0.0 0, 0.0 0.513 99.5-139.9 -90.9 172.5 53.7 69.1 52.0 202 243 C A < - 0 0 29 -3,-0.6 -3,-0.2 1,-0.2 3,-0.1 -0.386 45.7 -74.2 -78.2 163.8 51.0 67.5 54.1 203 244 C P - 0 0 6 0, 0.0 -1,-0.2 0, 0.0 5,-0.1 -0.143 64.4 -80.3 -58.4 154.7 51.0 68.2 57.9 204 245 C P >> - 0 0 45 0, 0.0 4,-2.2 0, 0.0 3,-0.7 -0.337 39.1-126.7 -58.2 134.6 53.6 66.5 60.1 205 246 C L H 3> S+ 0 0 94 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.862 109.2 48.8 -51.2 -44.0 52.6 62.9 60.8 206 247 C D H 3> S+ 0 0 118 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.808 108.8 53.7 -70.9 -26.3 53.0 63.4 64.6 207 248 C A H <> S+ 0 0 2 -3,-0.7 4,-1.9 2,-0.2 -2,-0.2 0.901 109.3 48.6 -72.0 -39.2 51.0 66.6 64.5 208 249 C V H X S+ 0 0 4 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.913 111.4 49.9 -65.2 -41.4 48.1 64.7 62.7 209 250 C E H < S+ 0 0 80 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.889 110.1 51.1 -63.0 -39.5 48.3 61.9 65.3 210 251 C Q H < S+ 0 0 63 -4,-1.9 4,-0.4 1,-0.2 -1,-0.2 0.876 116.2 41.1 -64.6 -38.7 48.2 64.5 68.1 211 252 C I H >X S+ 0 0 2 -4,-1.9 4,-2.0 1,-0.1 3,-0.7 0.830 95.3 78.3 -80.3 -36.5 45.1 66.1 66.6 212 253 C L H 3X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.841 87.7 55.2 -44.0 -53.9 43.1 63.1 65.5 213 254 C P H 3> S+ 0 0 66 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.893 112.7 42.9 -50.7 -45.1 41.6 62.1 68.9 214 255 C T H <> S+ 0 0 18 -3,-0.7 4,-2.0 -4,-0.4 -2,-0.2 0.876 112.8 54.4 -69.6 -35.5 40.1 65.5 69.5 215 256 C L H X S+ 0 0 0 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.891 105.2 52.2 -64.7 -40.5 38.9 65.6 65.9 216 257 C V H < S+ 0 0 29 -4,-2.8 4,-0.4 1,-0.2 -1,-0.2 0.916 109.1 51.6 -62.8 -40.4 37.1 62.3 66.3 217 258 C R H >< S+ 0 0 86 -4,-1.6 3,-1.2 -5,-0.2 -2,-0.2 0.891 108.3 49.5 -63.3 -41.5 35.4 63.8 69.3 218 259 C L H >< S+ 0 0 0 -4,-2.0 3,-1.8 1,-0.3 -1,-0.2 0.844 100.5 66.0 -66.5 -31.2 34.3 66.9 67.4 219 260 C L T 3< S+ 0 0 0 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.638 102.9 48.1 -64.7 -14.7 32.9 64.6 64.7 220 261 C H T < S+ 0 0 114 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.353 87.9 113.0-106.3 2.5 30.4 63.4 67.2 221 262 C H < - 0 0 23 -3,-1.8 -3,-0.0 -4,-0.2 6,-0.0 -0.269 68.9-129.3 -71.3 163.4 29.3 66.8 68.4 222 263 C N S S+ 0 0 116 4,-0.0 -1,-0.1 5,-0.0 -3,-0.0 0.596 73.0 103.7 -93.2 -12.6 25.8 68.0 67.7 223 264 C D > - 0 0 16 1,-0.1 4,-2.4 2,-0.0 5,-0.2 -0.560 65.0-142.7 -74.5 129.8 26.5 71.4 66.1 224 265 C P H > S+ 0 0 52 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.831 100.0 46.7 -60.2 -34.2 26.1 71.5 62.3 225 266 C E H > S+ 0 0 95 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.867 112.0 49.7 -76.8 -36.1 29.0 73.8 61.7 226 267 C V H > S+ 0 0 1 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.898 113.6 47.8 -66.7 -39.2 31.4 71.9 64.0 227 268 C L H X S+ 0 0 19 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.900 111.3 50.4 -67.8 -42.2 30.4 68.7 62.2 228 269 C A H X S+ 0 0 8 -4,-1.9 4,-2.1 -5,-0.2 -2,-0.2 0.964 113.9 42.5 -60.9 -53.6 30.9 70.2 58.8 229 270 C D H X S+ 0 0 17 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.806 111.5 56.0 -66.1 -28.0 34.4 71.6 59.6 230 271 C S H X S+ 0 0 1 -4,-1.7 4,-2.1 -5,-0.2 -1,-0.2 0.912 108.8 47.8 -67.8 -42.3 35.3 68.3 61.4 231 272 C C H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.877 109.1 53.5 -64.3 -39.5 34.4 66.4 58.2 232 273 C W H X S+ 0 0 19 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.913 107.5 50.7 -62.7 -41.3 36.5 68.9 56.1 233 274 C A H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.932 111.6 48.0 -61.9 -43.8 39.5 68.3 58.3 234 275 C I H X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.899 109.5 53.0 -63.8 -39.0 39.0 64.5 57.9 235 276 C S H < S+ 0 0 3 -4,-2.6 4,-0.3 1,-0.2 -1,-0.2 0.864 108.6 50.7 -65.2 -33.1 38.7 65.0 54.2 236 277 C Y H >< S+ 0 0 34 -4,-2.1 3,-1.2 1,-0.2 -2,-0.2 0.943 110.5 48.9 -67.3 -45.9 42.0 66.9 54.1 237 278 C L H 3< S+ 0 0 10 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.753 110.3 50.8 -64.9 -27.3 43.8 64.2 56.1 238 279 C T T 3< S+ 0 0 0 -4,-1.7 2,-1.3 -5,-0.2 -1,-0.3 0.428 86.0 94.7 -91.4 -0.2 42.5 61.4 53.8 239 280 C D S < S+ 0 0 30 -3,-1.2 -1,-0.1 -4,-0.3 40,-0.1 -0.705 81.8 37.2 -93.7 86.1 43.6 63.2 50.6 240 281 C G S S- 0 0 11 -2,-1.3 5,-0.1 38,-0.2 -235,-0.1 -0.975 98.8 -2.9 168.9-158.5 47.0 61.6 50.1 241 282 C P >> - 0 0 70 0, 0.0 3,-1.7 0, 0.0 4,-1.5 -0.149 69.1-107.0 -58.8 152.2 49.0 58.4 50.3 242 283 C N H 3> S+ 0 0 47 1,-0.3 4,-2.5 2,-0.2 41,-0.1 0.741 119.0 65.2 -52.6 -25.8 47.3 55.2 51.6 243 284 C E H 3> S+ 0 0 135 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.870 102.1 46.7 -66.5 -37.2 49.4 55.6 54.8 244 285 C R H <> S+ 0 0 47 -3,-1.7 4,-0.8 2,-0.2 -2,-0.2 0.870 111.9 51.1 -71.5 -37.5 47.6 58.9 55.6 245 286 C I H >X S+ 0 0 0 -4,-1.5 4,-2.7 1,-0.2 3,-0.6 0.909 107.0 55.5 -65.0 -42.3 44.3 57.3 54.9 246 287 C E H 3X S+ 0 0 60 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.883 100.4 55.9 -59.7 -43.5 45.2 54.4 57.2 247 288 C M H 3< S+ 0 0 22 -4,-1.5 4,-0.3 1,-0.2 -1,-0.2 0.803 113.7 43.0 -63.2 -24.9 45.9 56.6 60.3 248 289 C V H X<>S+ 0 0 1 -4,-0.8 3,-1.3 -3,-0.6 5,-0.7 0.915 114.2 47.2 -83.3 -49.0 42.4 58.0 59.9 249 290 C V H ><5S+ 0 0 16 -4,-2.7 3,-2.1 1,-0.3 5,-0.3 0.858 103.2 66.0 -60.3 -34.0 40.6 54.7 59.2 250 291 C K T 3<5S+ 0 0 151 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.764 90.7 63.6 -59.8 -27.3 42.4 53.2 62.2 251 292 C K T < 5S- 0 0 84 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.2 0.432 112.3-120.3 -78.2 0.9 40.6 55.6 64.5 252 293 C G T < 5 + 0 0 53 -3,-2.1 4,-0.3 -4,-0.1 -3,-0.1 0.809 68.8 136.8 65.4 34.4 37.3 53.9 63.5 253 294 C V >< + 0 0 2 -5,-0.7 4,-2.4 1,-0.2 3,-0.2 0.564 42.6 90.3 -87.3 -10.3 35.6 57.0 62.1 254 295 C V H > S+ 0 0 6 -5,-0.3 4,-2.7 1,-0.2 5,-0.3 0.922 83.2 52.8 -55.5 -49.0 34.2 55.4 59.0 255 296 C P H > S+ 0 0 82 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.916 112.6 46.9 -53.6 -41.0 30.9 54.4 60.5 256 297 C Q H > S+ 0 0 25 -4,-0.3 4,-2.6 -3,-0.2 5,-0.2 0.895 110.4 51.8 -66.8 -40.9 30.4 58.0 61.7 257 298 C L H X S+ 0 0 0 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.893 109.1 51.2 -62.6 -38.3 31.4 59.4 58.3 258 299 C V H X S+ 0 0 15 -4,-2.7 4,-0.6 -5,-0.2 -1,-0.2 0.901 109.6 50.4 -65.2 -40.2 28.8 57.0 56.7 259 300 C K H >< S+ 0 0 147 -4,-1.9 3,-1.6 -5,-0.3 -2,-0.2 0.943 110.1 47.9 -62.5 -48.7 26.2 58.3 59.1 260 301 C L H >< S+ 0 0 11 -4,-2.6 3,-1.4 1,-0.3 -1,-0.2 0.760 99.6 70.9 -63.6 -23.1 27.0 62.0 58.3 261 302 C L H 3< S+ 0 0 2 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.794 100.2 46.0 -63.4 -27.9 26.8 60.9 54.7 262 303 C G T << S+ 0 0 51 -3,-1.6 -1,-0.3 -4,-0.6 -2,-0.2 0.383 86.3 129.3 -96.1 3.7 23.0 60.6 55.2 263 304 C A < - 0 0 28 -3,-1.4 6,-0.1 -4,-0.2 -3,-0.0 -0.120 63.2-130.2 -56.5 156.1 22.7 63.9 57.0 264 305 C T S S+ 0 0 130 4,-0.0 2,-0.5 5,-0.0 -1,-0.1 0.819 84.9 86.5 -78.6 -31.4 20.0 66.3 55.8 265 306 C E >> - 0 0 60 1,-0.1 4,-2.2 -258,-0.1 3,-1.4 -0.588 66.9-152.2 -77.7 122.4 22.4 69.3 55.7 266 307 C L H 3> S+ 0 0 14 -2,-0.5 4,-2.5 -258,-0.3 -1,-0.1 0.807 94.9 64.0 -60.0 -32.8 24.3 69.6 52.4 267 308 C P H 34 S+ 0 0 27 0, 0.0 -1,-0.3 0, 0.0 -258,-0.1 0.727 110.7 39.1 -65.6 -20.1 27.2 71.4 54.3 268 309 C I H <> S+ 0 0 3 -3,-1.4 4,-1.7 2,-0.1 -2,-0.2 0.841 114.2 51.3 -94.9 -42.1 27.7 68.2 56.2 269 310 C V H X S+ 0 0 11 -4,-2.2 4,-2.8 1,-0.2 5,-0.3 0.885 103.3 60.6 -62.8 -40.6 27.1 65.7 53.4 270 311 C T H X S+ 0 0 5 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.950 111.3 36.0 -56.2 -55.0 29.6 67.4 51.0 271 312 C P H > S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.849 116.1 56.0 -69.4 -30.2 32.7 67.0 53.2 272 313 C A H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.919 110.3 44.8 -64.5 -43.1 31.5 63.6 54.4 273 314 C L H X S+ 0 0 0 -4,-2.8 4,-2.7 2,-0.2 -1,-0.2 0.865 111.9 52.6 -68.4 -38.5 31.2 62.3 50.8 274 315 C R H X S+ 0 0 62 -4,-2.0 4,-2.0 -5,-0.3 -2,-0.2 0.959 111.4 46.3 -62.3 -48.7 34.6 63.9 49.9 275 316 C A H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.924 113.9 48.0 -58.4 -47.5 36.3 62.1 52.9 276 317 C I H X S+ 0 0 1 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.905 111.6 51.7 -59.6 -42.8 34.5 58.8 52.0 277 318 C G H < S+ 0 0 0 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.819 108.1 50.4 -64.8 -33.5 35.6 59.2 48.4 278 319 C N H >< S+ 0 0 2 -4,-2.0 3,-1.4 1,-0.2 -1,-0.2 0.896 107.3 55.2 -71.5 -39.4 39.3 59.8 49.4 279 320 C I H >< S+ 0 0 0 -4,-2.1 3,-1.2 1,-0.3 -2,-0.2 0.813 102.1 55.6 -64.0 -32.0 39.3 56.7 51.5 280 321 C V T 3< S+ 0 0 0 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.477 93.2 69.8 -81.9 -0.1 38.1 54.5 48.6 281 322 C T T < S+ 0 0 6 -3,-1.4 -1,-0.3 -4,-0.2 -2,-0.2 0.453 95.3 74.6 -88.8 -3.1 41.1 55.6 46.5 282 323 C G S < S- 0 0 4 -3,-1.2 2,-0.1 1,-0.2 -280,-0.1 0.309 100.4 -37.2 -84.3-145.1 43.2 53.6 49.0 283 324 C T > - 0 0 46 -41,-0.1 4,-2.8 1,-0.1 -1,-0.2 -0.372 53.8-111.0 -79.9 160.7 43.6 49.9 49.4 284 325 C D H > S+ 0 0 56 1,-0.2 4,-2.3 2,-0.2 -1,-0.1 0.836 121.8 55.6 -58.5 -32.6 40.9 47.3 48.8 285 326 C E H > S+ 0 0 118 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.921 109.5 44.1 -65.8 -45.1 41.1 46.7 52.6 286 327 C Q H >> S+ 0 0 5 1,-0.2 4,-0.8 2,-0.2 3,-0.5 0.888 113.8 51.0 -67.4 -38.4 40.4 50.4 53.3 287 328 C T H >X S+ 0 0 0 -4,-2.8 4,-1.7 1,-0.2 3,-0.9 0.904 102.8 60.0 -64.1 -41.3 37.7 50.5 50.7 288 329 C Q H 3X S+ 0 0 27 -4,-2.3 4,-2.9 1,-0.3 -1,-0.2 0.777 96.0 64.1 -58.1 -27.7 36.1 47.4 52.3 289 330 C K H S+ 0 0 0 -3,-0.9 5,-2.0 -4,-0.8 4,-0.4 0.897 113.4 50.1 -69.8 -37.7 33.3 51.9 53.9 291 332 C I H ><5S+ 0 0 9 -4,-1.7 3,-1.8 1,-0.2 -2,-0.2 0.946 109.9 49.9 -63.9 -47.6 31.4 49.0 52.4 292 333 C D H 3<5S+ 0 0 105 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.844 104.1 59.9 -59.3 -34.3 31.2 47.2 55.8 293 334 C A T 3<5S- 0 0 32 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.586 121.1-108.7 -71.7 -9.1 29.9 50.5 57.4 294 335 C G T X 5 + 0 0 32 -3,-1.8 3,-0.8 -4,-0.4 4,-0.2 0.728 69.1 145.5 89.7 25.6 27.0 50.4 55.0 295 336 C A G >>< + 0 0 2 -5,-2.0 3,-1.9 1,-0.2 4,-0.5 0.842 61.6 66.6 -63.8 -37.4 27.9 53.3 52.7 296 337 C L G >4 S+ 0 0 1 1,-0.3 3,-0.8 -5,-0.2 -1,-0.2 0.756 87.5 68.3 -58.5 -26.9 26.4 51.8 49.6 297 338 C A G <4 S+ 0 0 70 -3,-0.8 -1,-0.3 1,-0.2 4,-0.2 0.670 98.2 53.6 -67.6 -15.2 22.8 52.0 50.9 298 339 C V G X> S+ 0 0 31 -3,-1.9 4,-1.9 -4,-0.2 3,-0.6 0.660 88.3 80.4 -92.8 -18.0 23.1 55.8 50.7 299 340 C F H < S+ 0 0 3 -4,-1.9 3,-1.0 1,-0.2 12,-0.2 0.864 106.9 55.5 -66.6 -36.4 23.5 60.4 46.3 303 344 C L T 3< S+ 0 0 2 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.558 115.5 38.2 -75.1 -8.1 23.5 59.4 42.7 304 345 C T T < S+ 0 0 86 -3,-0.8 -1,-0.2 -4,-0.2 -2,-0.2 0.151 85.7 144.3-122.9 14.6 20.2 61.3 42.1 305 346 C N < - 0 0 34 -3,-1.0 6,-0.2 1,-0.1 -3,-0.1 -0.283 53.4-134.4 -59.4 135.8 21.0 64.2 44.3 306 347 C P S S+ 0 0 113 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 0.793 89.6 83.1 -61.1 -29.6 19.7 67.6 43.1 307 348 C K S >> S- 0 0 75 1,-0.2 4,-1.7 2,-0.0 3,-0.7 -0.697 74.9-150.8 -82.0 113.1 23.1 69.2 43.9 308 349 C T H 3> S+ 0 0 77 -2,-0.8 4,-2.0 1,-0.2 -1,-0.2 0.781 91.9 56.9 -55.7 -32.0 25.3 68.5 40.9 309 350 C N H 3> S+ 0 0 38 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.881 106.5 50.1 -69.3 -35.6 28.6 68.5 42.9 310 351 C I H <> S+ 0 0 0 -3,-0.7 4,-2.0 2,-0.2 -2,-0.2 0.916 110.6 50.0 -65.6 -42.5 27.2 65.7 45.2 311 352 C Q H X S+ 0 0 31 -4,-1.7 4,-2.1 -6,-0.2 -2,-0.2 0.897 111.7 48.9 -62.5 -41.3 26.2 63.7 42.2 312 353 C K H X S+ 0 0 65 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.957 113.6 44.0 -64.9 -52.7 29.7 64.1 40.6 313 354 C E H X S+ 0 0 16 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.791 112.3 55.0 -64.3 -28.3 31.6 63.2 43.8 314 355 C A H X S+ 0 0 0 -4,-2.0 4,-2.1 -12,-0.2 -1,-0.2 0.914 111.0 43.1 -71.5 -42.7 29.2 60.2 44.3 315 356 C T H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.916 112.7 53.6 -68.4 -41.5 29.9 58.8 40.9 316 357 C W H X S+ 0 0 17 -4,-2.7 4,-1.3 1,-0.2 -2,-0.2 0.926 109.8 48.7 -56.5 -45.9 33.6 59.5 41.3 317 358 C T H X S+ 0 0 0 -4,-2.1 4,-0.6 1,-0.2 3,-0.2 0.886 109.0 52.7 -62.1 -40.2 33.5 57.5 44.6 318 359 C M H >X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 3,-0.9 0.881 103.8 57.2 -63.6 -38.1 31.6 54.7 42.8 319 360 C S H 3< S+ 0 0 0 -4,-2.4 4,-0.4 1,-0.3 -1,-0.2 0.842 105.4 50.2 -62.7 -34.4 34.3 54.5 40.1 320 361 C N H 3< S+ 0 0 0 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.602 111.9 48.8 -80.7 -9.7 37.0 53.9 42.8 321 362 C I H X< S+ 0 0 3 -3,-0.9 3,-1.9 -4,-0.6 -2,-0.2 0.814 107.8 51.6 -93.1 -37.8 34.8 51.1 44.3 322 363 C T T 3< S+ 0 0 0 -4,-2.7 44,-0.3 1,-0.3 -2,-0.2 0.602 101.3 64.9 -73.2 -8.7 34.2 49.4 40.9 323 364 C A T 3 S+ 0 0 16 -4,-0.4 -1,-0.3 -5,-0.2 -321,-0.2 0.432 95.5 83.7 -88.7 -1.2 37.9 49.5 40.5 324 365 C G S < S- 0 0 11 -3,-1.9 -3,-0.1 1,-0.2 -2,-0.0 0.216 93.3 -44.3 -83.8-155.1 38.1 47.2 43.5 325 366 C R >> - 0 0 74 1,-0.1 4,-2.4 -41,-0.1 3,-0.9 -0.305 51.9-111.8 -73.9 160.6 37.8 43.4 43.9 326 367 C Q H 3> S+ 0 0 96 1,-0.3 4,-2.2 2,-0.2 5,-0.1 0.857 120.5 55.1 -60.7 -36.4 35.1 41.3 42.2 327 368 C D H 3> S+ 0 0 78 1,-0.2 4,-0.8 2,-0.2 -1,-0.3 0.746 109.9 48.0 -69.1 -21.7 33.4 40.6 45.6 328 369 C Q H <> S+ 0 0 0 -3,-0.9 4,-1.5 2,-0.2 -2,-0.2 0.844 108.9 51.3 -84.8 -36.9 33.3 44.4 46.0 329 370 C I H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.877 106.6 57.1 -64.9 -34.4 31.9 44.9 42.5 330 371 C Q H X S+ 0 0 70 -4,-2.2 4,-3.3 1,-0.2 -1,-0.2 0.859 101.7 54.8 -63.4 -36.3 29.3 42.3 43.5 331 372 C Q H X S+ 0 0 56 -4,-0.8 4,-1.9 2,-0.2 -1,-0.2 0.896 105.3 52.9 -64.1 -39.3 28.3 44.5 46.5 332 373 C V H <>S+ 0 0 0 -4,-1.5 5,-2.1 1,-0.2 6,-0.4 0.910 112.7 45.8 -61.0 -41.0 27.7 47.3 44.0 333 374 C V H ><5S+ 0 0 19 -4,-1.9 3,-2.2 1,-0.2 -2,-0.2 0.943 109.7 52.4 -66.1 -51.2 25.5 45.0 42.1 334 375 C N H 3<5S+ 0 0 105 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.801 104.6 56.5 -57.0 -33.8 23.6 43.7 45.2 335 376 C H T 3<5S- 0 0 71 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.387 114.7-118.4 -81.0 5.1 22.8 47.2 46.3 336 377 C G T < 5S+ 0 0 27 -3,-2.2 4,-0.5 -5,-0.1 -3,-0.2 0.786 71.3 136.6 64.5 31.7 21.1 47.8 42.9 337 378 C L >< + 0 0 0 -5,-2.1 4,-1.7 -6,-0.2 -4,-0.2 0.639 49.5 76.8 -86.1 -15.2 23.6 50.5 42.0 338 379 C V H > S+ 0 0 0 -6,-0.4 4,-2.6 1,-0.2 3,-0.4 0.949 93.8 51.4 -60.4 -48.0 24.2 49.5 38.4 339 380 C P H > S+ 0 0 62 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.862 108.9 53.0 -57.3 -32.8 20.8 50.9 37.3 340 381 C F H > S+ 0 0 68 -4,-0.5 4,-2.2 2,-0.2 -2,-0.2 0.849 107.6 50.0 -70.0 -34.0 21.8 54.2 39.0 341 382 C L H X S+ 0 0 0 -4,-1.7 4,-2.4 -3,-0.4 -1,-0.2 0.897 109.2 51.6 -69.8 -39.2 25.1 54.2 37.1 342 383 C V H X S+ 0 0 16 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.874 109.7 52.3 -62.7 -34.8 23.1 53.7 33.9 343 384 C G H X S+ 0 0 37 -4,-1.8 4,-2.2 -5,-0.2 -2,-0.2 0.937 110.3 44.4 -66.5 -48.5 21.0 56.6 35.0 344 385 C V H < S+ 0 0 3 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.873 113.1 52.3 -64.2 -37.1 23.8 59.0 35.6 345 386 C L H < S+ 0 0 1 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.863 112.0 47.4 -66.2 -34.7 25.5 57.9 32.3 346 387 C S H < S+ 0 0 66 -4,-1.7 2,-0.3 1,-0.3 -2,-0.2 0.856 129.6 6.0 -74.6 -39.0 22.2 58.6 30.5 347 388 C K S < S+ 0 0 176 -4,-2.2 2,-0.3 -5,-0.1 -1,-0.3 -0.875 86.6 97.6-155.4 116.9 21.5 62.0 32.0 348 389 C A S S- 0 0 27 -2,-0.3 5,-0.0 -3,-0.2 -40,-0.0 -0.956 77.1 -54.5-178.0 173.6 23.6 64.2 34.2 349 390 C D >> - 0 0 76 -2,-0.3 4,-2.1 1,-0.1 3,-0.9 -0.412 60.8-113.2 -61.5 145.4 26.0 67.2 34.1 350 391 C F H 3> S+ 0 0 66 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.850 115.6 55.3 -52.7 -41.5 28.8 66.2 31.7 351 392 C K H 3> S+ 0 0 126 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.854 109.5 48.2 -62.4 -32.2 31.5 66.1 34.4 352 393 C T H <> S+ 0 0 0 -3,-0.9 4,-2.1 2,-0.2 -1,-0.2 0.903 108.2 54.0 -72.6 -40.8 29.3 63.6 36.2 353 394 C Q H X S+ 0 0 30 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.855 105.8 54.7 -60.3 -34.5 28.8 61.6 33.0 354 395 C K H X S+ 0 0 51 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.884 107.2 48.6 -67.0 -39.6 32.6 61.4 32.7 355 396 C E H X S+ 0 0 36 -4,-1.3 4,-2.5 1,-0.2 -2,-0.2 0.875 110.1 53.3 -67.0 -36.2 32.9 59.9 36.2 356 397 C A H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.899 104.8 53.6 -64.9 -41.2 30.2 57.4 35.3 357 398 C A H X S+ 0 0 2 -4,-2.1 4,-2.8 1,-0.2 -1,-0.2 0.910 110.7 47.9 -60.3 -40.9 32.1 56.4 32.2 358 399 C W H X S+ 0 0 63 -4,-1.7 4,-2.5 2,-0.2 5,-0.3 0.920 109.0 52.7 -65.2 -44.2 35.1 55.8 34.4 359 400 C A H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.908 113.1 45.9 -57.8 -40.6 33.0 53.8 36.9 360 401 C I H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.922 111.7 48.5 -69.8 -45.5 31.8 51.6 34.0 361 402 C T H X S+ 0 0 4 -4,-2.8 4,-1.5 1,-0.2 -2,-0.2 0.861 113.1 49.2 -65.2 -32.5 35.3 51.1 32.4 362 403 C N H X S+ 0 0 1 -4,-2.5 4,-1.6 -5,-0.2 -1,-0.2 0.899 110.6 51.2 -70.6 -40.3 36.7 50.1 35.8 363 404 C Y H X S+ 0 0 0 -4,-1.9 4,-1.9 -5,-0.3 3,-0.3 0.937 112.7 44.0 -60.4 -50.1 33.8 47.7 36.4 364 405 C T H < S+ 0 0 5 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.802 108.9 60.7 -67.7 -28.2 34.3 46.0 33.0 365 406 C S H < S+ 0 0 59 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.870 122.3 16.4 -68.1 -39.2 38.0 45.9 33.6 366 407 C G H < S+ 0 0 32 -4,-1.6 -2,-0.2 -44,-0.3 -1,-0.2 0.462 99.9 106.5-117.0 0.3 37.9 43.8 36.7 367 408 C G S < S- 0 0 12 -4,-1.9 -41,-0.1 -5,-0.2 -40,-0.0 -0.327 70.7-105.7 -80.0 162.2 34.5 42.2 36.8 368 409 C T > - 0 0 45 -42,-0.1 4,-1.8 1,-0.1 5,-0.2 -0.268 36.9-103.3 -74.7 170.0 33.6 38.6 36.2 369 410 C V H > S+ 0 0 39 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.907 123.3 51.1 -62.2 -43.3 31.9 37.7 32.9 370 411 C E H > S+ 0 0 159 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.902 108.6 50.5 -61.7 -42.3 28.5 37.3 34.7 371 412 C Q H > S+ 0 0 8 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.851 112.4 48.2 -65.0 -33.8 28.9 40.8 36.3 372 413 C I H X S+ 0 0 10 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.871 108.9 52.0 -74.5 -36.8 29.6 42.2 32.8 373 414 C V H X S+ 0 0 43 -4,-2.4 4,-2.3 1,-0.2 3,-0.2 0.938 107.8 53.8 -62.1 -45.1 26.7 40.5 31.2 374 415 C Y H X S+ 0 0 74 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.903 102.7 57.5 -53.6 -45.0 24.5 42.0 34.0 375 416 C L H <>S+ 0 0 0 -4,-1.5 5,-1.4 1,-0.2 3,-0.4 0.904 108.2 45.8 -54.2 -46.0 25.8 45.4 33.1 376 417 C V H ><5S+ 0 0 24 -4,-1.6 3,-1.7 -3,-0.2 5,-0.3 0.901 108.0 57.1 -65.9 -40.9 24.6 45.0 29.5 377 418 C H H 3<5S+ 0 0 151 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.772 100.5 59.2 -61.7 -25.4 21.2 43.7 30.7 378 419 C C T 3<5S- 0 0 38 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.566 123.8-102.0 -80.5 -8.8 20.7 46.9 32.7 379 420 C G T < 5S+ 0 0 35 -3,-1.7 -3,-0.2 -4,-0.3 3,-0.2 0.702 72.7 142.7 97.6 24.5 21.0 49.0 29.5 380 421 C I >< + 0 0 0 -5,-1.4 4,-1.7 1,-0.2 5,-0.2 0.827 59.7 71.2 -65.9 -31.5 24.5 50.4 29.7 381 422 C I H > S+ 0 0 13 -5,-0.3 4,-2.2 2,-0.2 5,-0.2 0.911 95.0 44.9 -53.2 -58.6 25.1 50.1 25.9 382 423 C E H > S+ 0 0 115 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.952 114.8 45.5 -57.9 -54.5 22.9 52.8 24.5 383 424 C P H > S+ 0 0 12 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.861 111.9 55.2 -58.6 -30.5 23.8 55.6 26.9 384 425 C L H X S+ 0 0 1 -4,-1.7 4,-0.6 1,-0.2 3,-0.4 0.917 109.1 46.2 -66.7 -42.9 27.5 54.7 26.5 385 426 C M H >< S+ 0 0 0 -4,-2.2 3,-1.2 1,-0.2 4,-0.3 0.892 105.1 59.7 -66.9 -41.7 27.3 55.0 22.7 386 427 C N H >< S+ 0 0 79 -4,-2.4 3,-0.8 1,-0.3 -1,-0.2 0.792 102.9 54.6 -58.2 -27.9 25.4 58.4 22.9 387 428 C L H >< S+ 0 0 12 -4,-1.0 3,-1.9 -3,-0.4 -1,-0.3 0.694 84.8 80.3 -80.1 -19.6 28.4 59.8 24.8 388 429 C L T << S+ 0 0 2 -3,-1.2 -1,-0.2 -4,-0.6 -2,-0.2 0.638 84.5 67.0 -61.5 -10.3 30.9 58.8 22.1 389 430 C S T < S+ 0 0 64 -3,-0.8 -1,-0.3 -4,-0.3 2,-0.3 0.140 78.9 115.4 -96.0 18.3 29.7 61.9 20.4 390 431 C A S < S- 0 0 21 -3,-1.9 2,-2.2 2,-0.1 6,-0.1 -0.670 74.6-120.8 -94.1 145.6 31.2 64.2 23.0 391 432 C K S S+ 0 0 205 -2,-0.3 2,-0.2 1,-0.1 -2,-0.1 -0.499 83.3 98.7 -80.5 71.2 34.0 66.7 22.5 392 433 C D > - 0 0 37 -2,-2.2 4,-2.0 -4,-0.1 3,-0.3 -0.658 52.8-166.6-160.7 94.8 36.3 65.1 25.0 393 434 C T H > S+ 0 0 62 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.826 88.9 60.3 -54.2 -34.2 39.0 62.7 23.8 394 435 C K H > S+ 0 0 91 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.953 107.1 41.2 -61.3 -53.2 39.5 61.5 27.3 395 436 C I H > S+ 0 0 0 -3,-0.3 4,-2.7 1,-0.2 -1,-0.2 0.867 112.8 57.5 -63.8 -34.4 36.0 60.2 27.9 396 437 C I H X S+ 0 0 6 -4,-2.0 4,-2.8 2,-0.2 5,-0.3 0.920 106.5 47.6 -61.5 -45.1 36.0 58.8 24.4 397 438 C Q H X S+ 0 0 44 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.961 112.0 50.9 -58.9 -51.8 39.1 56.7 25.1 398 439 C V H X S+ 0 0 8 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.885 113.4 44.9 -52.8 -45.6 37.5 55.5 28.4 399 440 C I H X S+ 0 0 1 -4,-2.7 4,-2.3 2,-0.2 3,-0.4 0.960 111.7 49.0 -66.8 -53.3 34.3 54.5 26.6 400 441 C L H X S+ 0 0 2 -4,-2.8 4,-2.0 1,-0.3 -1,-0.2 0.877 111.9 53.8 -53.0 -35.9 36.0 52.7 23.6 401 442 C D H X S+ 0 0 81 -4,-2.4 4,-1.9 -5,-0.3 -1,-0.3 0.873 105.4 52.1 -65.8 -39.4 38.0 51.0 26.3 402 443 C A H X S+ 0 0 1 -4,-1.6 4,-1.8 -3,-0.4 -2,-0.2 0.906 108.0 50.9 -64.8 -43.3 34.8 49.9 28.1 403 444 C I H X S+ 0 0 1 -4,-2.3 4,-3.1 2,-0.2 5,-0.3 0.920 106.0 55.7 -60.3 -45.7 33.4 48.4 24.9 404 445 C S H X S+ 0 0 39 -4,-2.0 4,-2.3 1,-0.3 -1,-0.2 0.942 108.6 47.6 -52.0 -50.5 36.6 46.4 24.3 405 446 C N H X S+ 0 0 29 -4,-1.9 4,-0.9 1,-0.2 -1,-0.3 0.846 113.4 49.0 -60.8 -34.5 36.3 44.9 27.8 406 447 C I H X S+ 0 0 5 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.867 109.3 49.7 -74.8 -37.5 32.6 44.1 27.1 407 448 C F H X S+ 0 0 0 -4,-3.1 4,-1.4 1,-0.2 -2,-0.2 0.911 107.3 57.4 -65.0 -40.2 33.3 42.5 23.7 408 449 C Q H X S+ 0 0 94 -4,-2.3 4,-1.3 -5,-0.3 -1,-0.2 0.802 106.1 48.6 -59.0 -32.6 36.0 40.4 25.4 409 450 C A H < S+ 0 0 7 -4,-0.9 -1,-0.2 2,-0.2 -2,-0.2 0.863 111.9 48.4 -75.7 -36.5 33.4 39.1 27.8 410 451 C A H <>S+ 0 0 11 -4,-1.7 5,-3.5 1,-0.2 6,-0.9 0.650 106.4 58.8 -76.1 -17.2 31.0 38.3 24.9 411 452 C E H ><5S+ 0 0 85 -4,-1.4 3,-0.9 2,-0.2 -1,-0.2 0.874 100.3 53.8 -77.4 -39.8 33.9 36.6 23.2 412 453 C K T 3<5S+ 0 0 158 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.473 117.1 42.4 -71.6 -0.1 34.3 34.2 26.1 413 454 C L T 3 5S- 0 0 86 -3,-0.2 -1,-0.3 -5,-0.1 -2,-0.2 0.404 106.7-123.3-123.7 -5.0 30.7 33.5 25.5 414 455 C G T < 5S+ 0 0 64 -3,-0.9 -3,-0.2 -4,-0.2 -2,-0.1 0.945 83.6 113.9 56.9 45.3 30.6 33.3 21.7 415 456 C E >< + 0 0 85 -5,-3.5 4,-1.6 -8,-0.2 3,-0.5 0.200 26.7 119.1-125.9 4.3 28.0 36.1 21.8 416 457 C T H > S+ 0 0 42 -6,-0.9 4,-0.9 1,-0.2 -5,-0.1 0.659 76.4 52.4 -48.5 -18.6 30.2 38.7 20.1 417 458 C E H > S+ 0 0 143 2,-0.2 4,-2.1 -7,-0.2 -1,-0.2 0.898 102.1 52.6 -88.0 -45.4 27.6 38.9 17.4 418 459 C K H > S+ 0 0 143 -3,-0.5 4,-1.4 1,-0.2 -2,-0.2 0.807 112.9 49.8 -60.0 -26.4 24.5 39.6 19.4 419 460 C L H X S+ 0 0 6 -4,-1.6 4,-2.3 2,-0.2 5,-0.2 0.880 104.4 55.8 -78.2 -40.8 26.4 42.4 20.9 420 461 C S H X S+ 0 0 10 -4,-0.9 4,-1.4 -5,-0.2 9,-0.2 0.893 107.2 51.0 -58.4 -41.6 27.6 43.9 17.6 421 462 C I H >X S+ 0 0 66 -4,-2.1 4,-3.8 2,-0.2 3,-0.5 0.958 107.8 52.8 -60.2 -51.2 23.9 44.1 16.5 422 463 C M H 3X S+ 0 0 74 -4,-1.4 4,-2.3 1,-0.3 6,-0.3 0.906 110.6 46.2 -49.1 -51.1 23.0 45.9 19.8 423 464 C I H 3<>S+ 0 0 0 -4,-2.3 5,-2.6 1,-0.2 6,-1.1 0.775 116.9 46.0 -65.0 -26.6 25.8 48.5 19.2 424 465 C E H X<5S+ 0 0 115 -4,-1.4 3,-0.8 -3,-0.5 -2,-0.2 0.850 108.7 56.4 -82.5 -37.1 24.6 48.8 15.6 425 466 C E H 3<5S+ 0 0 158 -4,-3.8 -2,-0.2 1,-0.2 -3,-0.2 0.928 110.8 41.5 -59.2 -50.8 20.9 49.0 16.6 426 467 C C T 3<5S- 0 0 37 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.417 124.0 -99.6 -81.4 2.0 21.4 52.0 18.9 427 468 C G T < 5S+ 0 0 25 -3,-0.8 -3,-0.2 -5,-0.2 4,-0.2 0.648 81.8 132.6 90.9 16.4 23.7 53.8 16.5 428 469 C G S >> S+ 0 0 17 -6,-1.1 4,-2.5 1,-0.3 5,-0.4 0.867 103.7 60.9 -55.1 -40.6 28.8 51.7 15.0 430 471 C D H 34 S+ 0 0 133 -7,-0.3 -1,-0.3 1,-0.2 -2,-0.2 0.551 113.3 39.5 -65.7 -5.8 27.8 54.8 13.1 431 472 C K H <> S+ 0 0 64 -3,-2.1 4,-0.8 -4,-0.2 -1,-0.2 0.596 112.1 53.7-114.9 -23.0 29.7 56.7 15.8 432 473 C I H X S+ 0 0 0 -4,-1.6 4,-1.7 2,-0.2 3,-0.2 0.912 108.8 48.5 -78.3 -45.2 32.7 54.3 16.2 433 474 C E H X S+ 0 0 87 -4,-2.5 4,-0.6 1,-0.2 -3,-0.1 0.893 109.5 54.0 -60.0 -41.2 33.6 54.3 12.5 434 475 C A H >4 S+ 0 0 66 -5,-0.4 3,-0.6 1,-0.2 -1,-0.2 0.836 110.0 47.0 -61.9 -33.6 33.4 58.1 12.5 435 476 C L H >< S+ 0 0 18 -4,-0.8 3,-3.0 1,-0.2 -1,-0.2 0.759 94.8 75.1 -77.3 -27.5 35.8 58.1 15.4 436 477 C Q H 3< S+ 0 0 39 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.761 96.6 50.5 -54.4 -25.0 38.0 55.7 13.4 437 478 C R T << S+ 0 0 217 -3,-0.6 -1,-0.3 -4,-0.6 -2,-0.2 0.029 90.0 125.9-101.4 22.8 38.9 58.8 11.4 438 479 C H < - 0 0 63 -3,-3.0 -3,-0.1 2,-0.1 3,-0.0 0.133 64.7-125.7 -67.7-169.4 39.7 60.8 14.5 439 480 C E S S+ 0 0 162 1,-0.1 2,-0.8 5,-0.0 -1,-0.1 0.636 82.8 86.9-114.8 -26.4 43.0 62.6 15.1 440 481 C N S >> S- 0 0 42 1,-0.2 3,-2.2 2,-0.0 4,-1.3 -0.706 70.9-144.7 -82.9 108.2 44.2 61.2 18.5 441 482 C E H 3> S+ 0 0 121 -2,-0.8 4,-1.5 1,-0.3 5,-0.3 0.771 100.3 59.1 -38.9 -38.4 46.1 58.0 17.8 442 483 C S H 3> S+ 0 0 65 3,-0.2 4,-1.4 2,-0.1 -1,-0.3 0.899 113.2 39.6 -61.9 -38.6 44.7 56.4 20.9 443 484 C V H <> S+ 0 0 0 -3,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.988 115.7 42.9 -74.8 -66.9 41.2 56.9 19.5 444 485 C Y H X S+ 0 0 90 -4,-1.3 4,-1.8 1,-0.2 5,-0.2 0.791 117.0 51.2 -55.2 -28.9 41.3 56.1 15.8 445 486 C K H X S+ 0 0 115 -4,-1.5 4,-2.4 -5,-0.4 -1,-0.2 0.959 110.0 47.6 -71.6 -51.5 43.5 53.1 16.6 446 487 C A H X S+ 0 0 35 -4,-1.4 4,-2.0 -5,-0.3 -2,-0.2 0.910 115.2 47.7 -53.9 -46.7 41.1 51.8 19.3 447 488 C S H >X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 3,-0.8 0.994 109.8 48.6 -56.7 -74.3 38.2 52.3 16.9 448 489 C L H 3X S+ 0 0 78 -4,-1.8 4,-2.3 1,-0.3 5,-0.4 0.813 110.5 54.4 -32.6 -49.7 39.7 50.6 13.8 449 490 C N H 3X S+ 0 0 83 -4,-2.4 4,-1.8 1,-0.2 -1,-0.3 0.952 110.6 44.1 -54.4 -54.6 40.6 47.7 16.0 450 491 C L H S+ 0 0 4 -4,-2.0 4,-2.4 -3,-0.8 5,-0.8 0.927 114.6 52.0 -56.7 -47.9 37.1 47.2 17.3 451 492 C I H >X5S+ 0 0 15 -4,-2.4 4,-2.8 1,-0.2 3,-0.7 0.977 115.7 35.4 -51.0 -73.5 35.7 47.7 13.7 452 493 C E H 3<5S+ 0 0 144 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.698 121.7 50.2 -57.6 -23.0 37.8 45.1 11.9 453 494 C K H 3<5S+ 0 0 102 -4,-1.8 -1,-0.2 -5,-0.4 -2,-0.2 0.771 129.4 10.9 -90.5 -26.7 37.8 42.8 14.9 454 495 C Y H <<5S+ 0 0 24 -4,-2.4 -3,-0.2 -3,-0.7 -2,-0.2 0.654 121.6 48.0-123.6 -27.8 34.0 42.7 15.7 455 496 C F << 0 0 25 -4,-2.8 -35,-0.0 -5,-0.8 -4,-0.0 -0.090 360.0 360.0 -99.8-159.4 32.1 44.3 12.8 456 497 C S 0 0 142 -2,-0.1 -4,-0.1 -3,-0.0 -5,-0.1 0.522 360.0 360.0 -4.8 360.0 32.3 43.9 9.0