==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 08-SEP-00 1FS1 . COMPND 2 MOLECULE: CYCLIN A/CDK2-ASSOCIATED P19; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.A.SCHULMAN,A.C.CARRANO,P.D.JEFFREY,Z.BOWEN,E.R.E.KINNUCAN, . 316 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16246.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 234 74.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 3.8 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 . 2 0.6 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 . 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 . 12 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 16.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 140 44.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.6 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 2 2 3 3 2 0 0 0 1 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 109 A W 0 0 40 0, 0.0 157,-0.0 0, 0.0 116,-0.0 0.000 360.0 360.0 360.0 78.3 10.1 12.2 69.7 2 110 A D + 0 0 103 28,-0.0 4,-0.1 7,-0.0 7,-0.1 0.328 360.0 80.2-139.4 -13.1 13.6 11.5 70.8 3 111 A S S S+ 0 0 79 2,-0.1 0, 0.0 0, 0.0 0, 0.0 0.586 75.6 91.5 -76.2 -9.3 15.4 12.2 67.5 4 112 A L S S- 0 0 1 1,-0.1 5,-0.0 2,-0.1 117,-0.0 -0.738 85.7-121.2 -86.3 129.8 15.3 15.9 68.5 5 113 A P >> - 0 0 63 0, 0.0 4,-1.8 0, 0.0 3,-0.8 -0.268 31.2-101.3 -64.6 161.4 18.3 17.0 70.4 6 114 A D H 3> S+ 0 0 84 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.860 120.2 64.6 -51.1 -38.7 17.6 18.4 73.9 7 115 A E H 3> S+ 0 0 158 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.910 105.1 42.7 -54.0 -47.1 18.0 21.9 72.5 8 116 A L H <> S+ 0 0 11 -3,-0.8 4,-2.0 2,-0.2 -1,-0.2 0.877 111.9 55.0 -68.5 -36.4 15.0 21.6 70.3 9 117 A L H X S+ 0 0 1 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.888 108.9 47.5 -62.5 -39.7 13.0 19.9 73.0 10 118 A L H X S+ 0 0 30 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.792 106.2 59.8 -70.8 -27.3 13.7 22.8 75.3 11 119 A G H < S+ 0 0 28 -4,-1.3 -2,-0.2 -5,-0.3 -1,-0.2 0.928 109.8 41.9 -63.9 -44.1 12.7 25.1 72.4 12 120 A I H >< S+ 0 0 2 -4,-2.0 3,-2.3 1,-0.2 4,-0.4 0.971 115.4 48.9 -64.7 -55.0 9.3 23.4 72.4 13 121 A F H >< S+ 0 0 1 -4,-2.6 3,-1.6 1,-0.3 -2,-0.2 0.818 100.9 65.0 -56.3 -35.6 9.0 23.4 76.3 14 122 A S T 3< S+ 0 0 76 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.605 92.1 64.9 -65.9 -9.5 10.0 27.0 76.5 15 123 A C T < S+ 0 0 48 -3,-2.3 -1,-0.3 -4,-0.2 -2,-0.2 0.733 89.6 88.5 -83.7 -17.0 6.7 27.8 74.6 16 124 A L S < S- 0 0 15 -3,-1.6 2,-0.2 -4,-0.4 5,-0.1 -0.308 87.7-105.8 -79.4 157.1 4.7 26.5 77.6 17 125 A C >> - 0 0 75 1,-0.1 3,-2.1 -2,-0.1 4,-0.6 -0.623 43.5-106.9 -77.4 143.4 3.5 28.5 80.7 18 126 A L G >4 S+ 0 0 84 1,-0.3 3,-2.3 -2,-0.2 4,-0.3 0.845 118.7 52.5 -39.2 -53.8 5.6 27.4 83.7 19 127 A P G >4 S+ 0 0 85 0, 0.0 3,-1.5 0, 0.0 4,-0.4 0.791 98.3 68.7 -59.0 -22.9 3.0 25.3 85.5 20 128 A E G X> S+ 0 0 26 -3,-2.1 4,-1.3 1,-0.3 3,-1.0 0.730 82.7 73.0 -68.1 -20.6 2.5 23.5 82.2 21 129 A L H S+ 0 0 127 -3,-1.5 4,-0.9 -4,-0.3 -1,-0.3 0.871 99.7 49.1 -64.6 -35.6 4.5 19.8 85.5 23 131 A K H X4 S+ 0 0 73 -3,-1.0 3,-0.9 -4,-0.4 4,-0.4 0.957 111.2 46.9 -69.3 -46.8 2.7 18.0 82.7 24 132 A V H >X S+ 0 0 0 -4,-1.3 3,-1.0 1,-0.2 4,-0.9 0.840 105.4 62.3 -64.1 -30.1 5.8 17.5 80.5 25 133 A S H 3< S+ 0 0 29 -4,-2.2 -1,-0.2 1,-0.2 7,-0.2 0.779 103.5 47.6 -67.7 -26.6 7.8 16.4 83.6 26 134 A G T << S+ 0 0 35 -4,-0.9 -1,-0.2 -3,-0.9 -2,-0.2 0.481 99.5 71.7 -92.9 -0.2 5.6 13.3 84.1 27 135 A V T <4 S- 0 0 20 -3,-1.0 2,-0.3 -4,-0.4 -2,-0.2 0.975 108.7 -6.7 -77.2 -55.8 5.7 12.2 80.5 28 136 A C X - 0 0 38 -4,-0.9 4,-3.3 1,-0.1 -1,-0.3 -0.930 59.0-118.0-142.6 158.8 9.2 10.9 80.0 29 137 A K H > S+ 0 0 146 -2,-0.3 4,-3.7 2,-0.2 5,-0.2 0.894 120.6 47.8 -66.7 -38.5 12.5 10.7 81.9 30 138 A R H > S+ 0 0 55 2,-0.2 4,-3.9 1,-0.2 5,-0.2 0.938 116.0 44.7 -63.8 -44.6 14.1 12.9 79.2 31 139 A W H > S+ 0 0 11 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.883 113.9 49.1 -64.4 -40.4 11.2 15.2 79.5 32 140 A Y H X S+ 0 0 143 -4,-3.3 4,-0.9 2,-0.2 -2,-0.2 0.946 115.0 45.8 -63.1 -48.1 11.4 15.0 83.3 33 141 A R H < S+ 0 0 167 -4,-3.7 3,-0.5 1,-0.2 -2,-0.2 0.928 117.7 42.2 -62.4 -45.8 15.1 15.7 83.0 34 142 A L H >< S+ 0 0 18 -4,-3.9 3,-1.8 1,-0.2 -1,-0.2 0.829 103.4 66.0 -73.1 -30.1 14.7 18.5 80.5 35 143 A A H 3< S+ 0 0 4 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.780 99.4 51.9 -62.7 -26.3 11.7 20.2 82.2 36 144 A S T 3< S+ 0 0 78 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.352 80.9 144.3 -89.1 4.9 13.8 21.1 85.3 37 145 A D X - 0 0 47 -3,-1.8 3,-2.9 1,-0.2 4,-0.3 -0.249 57.9-128.0 -54.3 131.0 16.3 22.7 83.0 38 146 A E G > S+ 0 0 179 1,-0.3 3,-0.6 2,-0.2 -1,-0.2 0.673 107.0 59.4 -47.4 -26.3 17.9 25.9 84.6 39 147 A S G 3 S+ 0 0 96 1,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.634 92.3 63.7 -87.0 -9.6 17.1 27.8 81.5 40 148 A L G < 0 0 21 -3,-2.9 -1,-0.2 -6,-0.1 -2,-0.2 0.414 360.0 360.0 -90.8 -0.4 13.3 27.3 81.6 41 149 A W < 0 0 169 -3,-0.6 -2,-0.1 -4,-0.3 -3,-0.1 0.652 360.0 360.0-125.8 360.0 12.8 29.2 84.8 42 !* 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 43 2 B P 0 0 57 0, 0.0 16,-2.8 0, 0.0 17,-0.4 0.000 360.0 360.0 360.0 149.2 17.2 33.8 39.7 44 3 B S E -A 58 0A 18 14,-0.3 2,-0.3 215,-0.2 14,-0.2 -0.865 360.0-168.9-124.4 155.0 17.2 30.1 40.7 45 4 B I E -A 57 0A 23 12,-2.5 12,-3.0 -2,-0.3 2,-0.5 -0.933 28.4-108.5-134.4 159.3 19.7 27.8 42.2 46 5 B K E -A 56 0A 41 32,-0.5 34,-3.0 -2,-0.3 2,-0.4 -0.785 25.0-167.5 -94.2 133.1 19.6 24.0 42.7 47 6 B L E -Ab 55 80A 0 8,-2.7 8,-3.0 -2,-0.5 2,-0.5 -0.955 10.7-151.8-113.1 141.0 19.1 22.4 46.1 48 7 B Q E -Ab 54 81A 68 32,-2.9 34,-2.8 -2,-0.4 6,-0.2 -0.949 9.9-140.1-119.2 118.7 19.8 18.7 46.4 49 8 B S > - 0 0 2 4,-2.6 3,-1.7 -2,-0.5 37,-0.2 -0.109 30.7-102.3 -69.9 170.2 18.0 16.7 49.0 50 9 B S T 3 S+ 0 0 60 35,-3.0 36,-0.2 32,-0.3 -1,-0.1 0.810 123.8 53.4 -66.1 -28.7 19.6 14.0 51.0 51 10 B D T 3 S- 0 0 101 34,-0.3 -1,-0.3 2,-0.1 35,-0.1 0.247 123.3-101.3 -92.9 15.0 17.9 11.5 48.8 52 11 B G S < S+ 0 0 51 -3,-1.7 2,-0.2 1,-0.3 -2,-0.1 0.359 72.4 139.1 88.9 -1.4 19.2 13.0 45.6 53 12 B E - 0 0 69 1,-0.0 -4,-2.6 -5,-0.0 2,-0.4 -0.555 44.5-138.0 -80.5 137.3 16.2 15.0 44.3 54 13 B I E -A 48 0A 50 -2,-0.2 2,-0.5 -6,-0.2 -6,-0.2 -0.783 14.1-164.9 -95.3 137.4 17.0 18.4 42.8 55 14 B F E -A 47 0A 17 -8,-3.0 -8,-2.7 -2,-0.4 2,-0.7 -0.994 13.3-146.6-123.5 123.8 14.8 21.4 43.6 56 15 B E E +A 46 0A 15 -2,-0.5 2,-0.4 -10,-0.2 -10,-0.2 -0.826 34.2 179.8 -86.9 116.7 15.1 24.5 41.4 57 16 B V E -A 45 0A 4 -12,-3.0 -12,-2.5 -2,-0.7 2,-0.2 -0.930 37.4 -99.3-126.9 153.7 14.4 27.2 44.0 58 17 B D E > -A 44 0A 24 -2,-0.4 3,-2.6 -14,-0.2 -14,-0.3 -0.456 33.8-130.0 -67.7 130.4 14.2 30.9 43.9 59 18 B V G > S+ 0 0 39 -16,-2.8 3,-2.1 1,-0.3 4,-0.3 0.701 100.8 82.1 -57.1 -16.3 17.6 32.1 45.2 60 19 B E G > + 0 0 108 -17,-0.4 3,-1.4 1,-0.3 -1,-0.3 0.688 68.3 80.3 -64.5 -14.8 15.6 34.4 47.5 61 20 B I G X> S+ 0 0 11 -3,-2.6 3,-2.9 1,-0.3 4,-2.5 0.809 76.9 72.9 -61.3 -25.5 15.2 31.4 49.8 62 21 B A G <4 S+ 0 0 15 -3,-2.1 7,-0.3 1,-0.3 -1,-0.3 0.877 85.2 66.4 -53.2 -36.3 18.7 32.3 51.0 63 22 B K G <4 S+ 0 0 147 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.634 112.4 32.1 -59.8 -15.4 17.0 35.2 52.7 64 23 B Q T <4 S+ 0 0 31 -3,-2.9 2,-0.7 -4,-0.2 68,-0.3 0.724 114.9 56.7-113.8 -35.8 15.3 32.6 54.9 65 24 B S X - 0 0 0 -4,-2.5 4,-2.6 1,-0.2 65,-0.2 -0.855 54.6-173.7-102.4 106.3 17.8 29.8 55.2 66 25 B V H > S+ 0 0 66 64,-1.7 4,-2.9 -2,-0.7 5,-0.2 0.894 87.7 57.3 -62.2 -32.8 21.1 30.9 56.6 67 26 B T H > S+ 0 0 37 62,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.947 109.4 42.6 -64.3 -45.7 22.5 27.5 56.0 68 27 B I H > S+ 0 0 5 61,-0.5 4,-2.7 2,-0.2 -1,-0.2 0.908 112.1 56.3 -66.5 -39.5 21.7 27.6 52.3 69 28 B K H X S+ 0 0 93 -4,-2.6 4,-2.9 -7,-0.3 5,-0.5 0.947 106.7 48.9 -56.9 -48.4 23.0 31.2 52.2 70 29 B T H X S+ 0 0 64 -4,-2.9 4,-2.8 1,-0.2 5,-0.5 0.933 113.1 47.2 -58.1 -44.6 26.4 30.2 53.6 71 30 B M H X>S+ 0 0 28 -4,-1.9 5,-2.1 -5,-0.2 4,-0.7 0.857 115.0 45.9 -65.6 -37.0 26.7 27.4 51.1 72 31 B L H <5S+ 0 0 40 -4,-2.7 -2,-0.2 3,-0.2 -1,-0.2 0.977 126.6 26.8 -67.7 -57.1 25.7 29.6 48.2 73 32 B E H <5S+ 0 0 125 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.926 125.2 43.0 -76.0 -48.2 27.9 32.5 49.1 74 33 B D H <5S+ 0 0 118 -4,-2.8 -3,-0.2 -5,-0.5 -1,-0.2 0.601 130.8 14.3 -80.6 -9.8 30.7 31.0 51.0 75 34 B L T <5S- 0 0 125 -4,-0.7 2,-0.5 -5,-0.5 -3,-0.2 0.669 81.4-132.5-127.2 -54.8 31.4 27.9 48.8 76 35 B G < + 0 0 37 -5,-2.1 -1,-0.2 1,-0.2 -2,-0.1 -0.842 32.6 171.7 130.0 -87.3 29.7 28.0 45.4 77 36 B M - 0 0 75 -2,-0.5 -1,-0.2 -3,-0.1 -2,-0.1 0.924 20.1-159.2 46.7 88.5 28.2 24.6 45.3 78 43 B D S S+ 0 0 113 1,-0.2 2,-0.7 -3,-0.1 -32,-0.5 0.995 91.4 41.2 -61.5 -67.2 26.2 25.0 42.2 79 44 B P S S- 0 0 54 0, 0.0 -1,-0.2 0, 0.0 -32,-0.2 -0.709 97.6-141.9 -76.6 119.6 24.0 22.2 43.3 80 45 B V E -b 47 0A 0 -34,-3.0 -32,-2.9 -2,-0.7 2,-0.3 -0.736 13.8-143.9 -83.2 110.8 23.7 23.0 47.0 81 46 B P E -b 48 0A 35 0, 0.0 -32,-0.2 0, 0.0 3,-0.1 -0.585 17.8-174.1 -77.9 131.6 23.8 19.6 48.9 82 47 B L > + 0 0 1 -34,-2.8 3,-1.7 -2,-0.3 -32,-0.3 -0.742 6.3 175.8-123.3 80.8 21.6 19.4 52.0 83 48 B P T 3 S+ 0 0 85 0, 0.0 -1,-0.1 0, 0.0 -34,-0.1 0.702 74.5 57.2 -62.1 -17.1 22.5 16.0 53.4 84 49 B N T 3 S+ 0 0 113 -3,-0.1 2,-0.4 1,-0.1 44,-0.1 0.398 97.9 65.6 -97.3 6.3 20.3 16.4 56.4 85 50 B V < - 0 0 3 -3,-1.7 -35,-3.0 -37,-0.2 -34,-0.3 -0.980 69.3-143.8-132.7 127.3 17.0 17.0 54.7 86 51 B N > - 0 0 44 -2,-0.4 4,-3.3 -37,-0.2 5,-0.2 -0.409 31.7-105.4 -83.6 162.7 15.0 14.6 52.5 87 52 B A H > S+ 0 0 7 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.866 116.5 54.3 -54.0 -43.7 13.0 15.6 49.4 88 53 B A H > S+ 0 0 65 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.935 116.2 36.7 -59.3 -48.5 9.6 15.3 51.2 89 54 B I H > S+ 0 0 4 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.906 115.3 55.9 -73.7 -37.9 10.5 17.6 54.0 90 55 B L H X S+ 0 0 1 -4,-3.3 4,-2.9 1,-0.2 5,-0.2 0.917 105.5 51.8 -59.5 -42.5 12.6 19.8 51.7 91 56 B K H X S+ 0 0 43 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.926 111.0 47.4 -58.1 -45.9 9.6 20.4 49.4 92 57 B K H X S+ 0 0 55 -4,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.912 112.0 50.4 -63.1 -43.7 7.5 21.4 52.5 93 58 B V H X S+ 0 0 4 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.927 111.7 47.6 -58.7 -48.2 10.2 23.7 53.7 94 59 B I H X S+ 0 0 26 -4,-2.9 4,-2.7 2,-0.2 -2,-0.2 0.907 110.5 53.0 -59.1 -40.0 10.5 25.3 50.3 95 60 B Q H X S+ 0 0 18 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.922 110.5 46.7 -62.2 -42.2 6.7 25.6 50.2 96 61 B W H X S+ 0 0 11 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.906 113.9 47.8 -67.4 -40.4 6.7 27.4 53.6 97 62 B C H X S+ 0 0 5 -4,-2.6 4,-0.8 2,-0.2 -2,-0.2 0.922 109.8 52.8 -66.8 -41.5 9.5 29.7 52.5 98 63 B T H >< S+ 0 0 23 -4,-2.7 3,-1.1 1,-0.2 4,-0.3 0.957 112.0 45.2 -58.6 -49.6 7.7 30.5 49.2 99 64 B H H 3< S+ 0 0 53 -4,-2.3 3,-0.5 1,-0.2 -1,-0.2 0.884 119.3 42.8 -58.9 -39.9 4.6 31.5 51.1 100 65 B H H >< S+ 0 0 13 -4,-2.2 3,-1.9 1,-0.2 -1,-0.2 0.325 80.6 103.2 -90.8 6.2 6.7 33.5 53.6 101 66 B K T << S+ 0 0 59 -3,-1.1 -1,-0.2 -4,-0.8 -2,-0.1 0.732 80.8 53.6 -61.2 -23.9 9.0 35.2 51.2 102 67 B D T 3 0 0 106 -3,-0.5 -1,-0.3 -4,-0.3 -2,-0.1 0.297 360.0 360.0 -96.1 9.1 7.1 38.4 51.5 103 68 B D < 0 0 148 -3,-1.9 -3,-0.0 0, 0.0 0, 0.0 -0.318 360.0 360.0 -75.3 360.0 7.2 38.7 55.3 104 ! 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 0.0 105 86 B P > 0 0 104 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 142.4 -0.6 32.8 61.7 106 87 B V H > + 0 0 116 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.822 360.0 52.4 -60.8 -35.5 -3.7 31.0 60.2 107 88 B W H > S+ 0 0 47 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.937 110.5 50.0 -65.5 -44.2 -2.0 29.9 57.0 108 89 B D H > S+ 0 0 2 1,-0.2 4,-3.0 2,-0.2 -2,-0.2 0.886 105.8 56.1 -59.7 -40.8 0.8 28.3 59.1 109 90 B Q H < S+ 0 0 129 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.928 112.2 42.4 -59.6 -42.6 -1.8 26.6 61.3 110 91 B E H >< S+ 0 0 115 -4,-1.8 3,-1.6 1,-0.2 -2,-0.2 0.940 114.3 51.2 -66.3 -47.1 -3.3 25.0 58.2 111 92 B F H 3< S+ 0 0 11 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.870 113.2 45.1 -58.2 -38.6 0.2 24.2 56.8 112 93 B L T 3< S+ 0 0 2 -4,-3.0 2,-2.5 -5,-0.2 -1,-0.3 0.381 80.3 104.8 -89.7 4.7 1.3 22.6 60.0 113 94 B K < + 0 0 170 -3,-1.6 2,-0.3 -4,-0.2 -1,-0.2 -0.478 65.9 110.0 -82.6 66.6 -1.9 20.6 60.3 114 95 B V S S- 0 0 49 -2,-2.5 5,-0.1 1,-0.1 -2,-0.0 -0.855 75.4 -46.7-137.5 173.0 -0.0 17.6 59.3 115 96 B D > - 0 0 105 -2,-0.3 4,-1.6 1,-0.1 3,-0.4 0.025 49.0-126.0 -39.4 134.8 1.3 14.3 60.4 116 97 B Q H > S+ 0 0 47 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.824 109.0 50.6 -57.9 -40.2 3.3 14.4 63.8 117 98 B G H > S+ 0 0 29 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.842 110.3 52.5 -68.0 -28.0 6.5 12.7 62.6 118 99 B T H > S+ 0 0 26 -3,-0.4 4,-2.5 2,-0.2 -2,-0.2 0.840 106.2 53.0 -72.2 -33.9 6.4 15.3 59.7 119 100 B L H X S+ 0 0 0 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.903 109.6 48.7 -68.7 -40.4 6.1 18.0 62.3 120 101 B F H X S+ 0 0 41 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.869 111.3 49.6 -66.3 -41.6 9.2 16.6 64.0 121 102 B E H X S+ 0 0 59 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.882 108.3 53.5 -67.5 -36.9 11.1 16.4 60.7 122 103 B L H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 -2,-0.2 0.865 107.1 51.3 -63.4 -40.8 10.1 20.0 60.0 123 104 B I H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.935 112.9 45.9 -60.5 -48.0 11.5 21.1 63.3 124 105 B L H X S+ 0 0 49 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.921 114.8 46.8 -61.6 -43.6 14.8 19.3 62.6 125 106 B A H X S+ 0 0 3 -4,-2.8 4,-3.0 2,-0.2 5,-0.3 0.922 110.2 51.7 -68.0 -39.7 14.9 20.7 59.0 126 107 B A H X>S+ 0 0 0 -4,-3.0 5,-2.4 1,-0.2 4,-0.8 0.889 113.6 46.8 -60.6 -38.9 14.2 24.3 60.2 127 108 B N H <5S+ 0 0 73 -4,-2.0 3,-0.3 3,-0.2 -2,-0.2 0.938 114.3 45.6 -65.8 -50.4 17.0 23.9 62.7 128 109 B Y H <5S+ 0 0 48 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.903 120.4 39.1 -57.5 -46.3 19.4 22.4 60.2 129 110 B L H <5S- 0 0 0 -4,-3.0 -62,-1.8 -5,-0.2 -61,-0.5 0.559 108.1-129.4 -81.8 -10.9 18.6 25.0 57.5 130 111 B D T <5 + 0 0 79 -4,-0.8 -64,-1.7 -3,-0.3 2,-0.7 0.985 48.6 158.2 56.4 65.9 18.4 27.7 60.2 131 112 B I >>< - 0 0 5 -5,-2.4 4,-2.4 -66,-0.2 3,-0.8 -0.854 21.6-169.1-117.8 87.1 15.0 29.1 59.2 132 113 B K H 3> S+ 0 0 143 -2,-0.7 4,-2.8 -68,-0.3 5,-0.2 0.850 78.5 51.5 -47.7 -48.9 14.1 30.8 62.5 133 114 B G H 3> S+ 0 0 30 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.823 111.5 47.2 -62.4 -32.2 10.5 31.5 61.6 134 115 B L H <> S+ 0 0 0 -3,-0.8 4,-2.1 2,-0.2 5,-0.2 0.909 112.7 49.8 -74.5 -43.3 9.7 28.0 60.6 135 116 B L H X S+ 0 0 35 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.941 111.4 50.2 -58.5 -48.8 11.4 26.6 63.6 136 117 B D H X S+ 0 0 51 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.894 112.3 43.3 -59.9 -46.5 9.4 29.0 65.9 137 118 B V H X S+ 0 0 30 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.841 113.5 52.4 -74.2 -28.9 6.0 28.2 64.6 138 119 B T H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.885 109.9 47.7 -74.2 -33.8 6.6 24.5 64.5 139 120 B C H X S+ 0 0 8 -4,-2.2 4,-2.6 -5,-0.2 -2,-0.2 0.932 112.5 49.5 -71.4 -37.0 7.8 24.4 68.1 140 121 B K H X S+ 0 0 101 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.859 107.7 55.3 -64.5 -36.0 4.7 26.4 69.2 141 122 B T H < S+ 0 0 28 -4,-1.7 4,-0.5 2,-0.2 -1,-0.2 0.916 110.5 44.6 -62.6 -41.4 2.5 24.1 67.2 142 123 B V H >X S+ 0 0 1 -4,-1.8 3,-1.4 1,-0.2 4,-0.8 0.915 110.1 54.4 -69.6 -43.0 4.0 21.2 69.2 143 124 B A H >X S+ 0 0 1 -4,-2.6 4,-2.9 1,-0.3 3,-0.9 0.880 103.0 57.9 -57.9 -38.5 3.7 23.0 72.5 144 125 B N H 3< S+ 0 0 107 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.679 102.8 53.8 -66.3 -17.0 -0.0 23.6 71.7 145 126 B M H <4 S+ 0 0 57 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.638 112.9 43.7 -88.7 -17.4 -0.5 19.8 71.5 146 127 B I H X< S+ 0 0 0 -3,-0.9 3,-1.9 -4,-0.8 -2,-0.2 0.855 96.1 90.7 -88.5 -44.9 1.1 19.5 74.9 147 128 B K T 3< S+ 0 0 70 -4,-2.9 3,-0.1 1,-0.3 -131,-0.0 -0.208 95.6 14.8 -55.3 134.8 -0.9 22.4 76.4 148 129 B G T 3 S+ 0 0 71 1,-0.3 -1,-0.3 0, 0.0 2,-0.3 0.503 107.9 105.3 78.2 1.5 -4.1 21.4 78.1 149 130 B K < - 0 0 64 -3,-1.9 -1,-0.3 3,-0.0 -3,-0.0 -0.737 66.7-121.4-114.1 165.0 -3.3 17.7 78.1 150 131 B T > - 0 0 58 -2,-0.3 4,-2.0 -3,-0.1 3,-0.3 -0.675 36.2-102.5-100.4 155.0 -2.2 15.2 80.7 151 132 B P H > S+ 0 0 42 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.828 119.8 60.0 -45.6 -33.9 1.1 13.3 80.6 152 133 B E H > S+ 0 0 93 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.974 108.2 39.9 -60.6 -57.7 -0.9 10.2 79.4 153 134 B E H >> S+ 0 0 79 -3,-0.3 4,-3.1 1,-0.2 3,-0.7 0.980 114.4 54.6 -53.1 -59.7 -2.3 11.8 76.3 154 135 B I H 3X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.3 -1,-0.2 0.861 108.0 49.2 -40.1 -50.5 1.0 13.5 75.6 155 136 B R H 3< S+ 0 0 122 -4,-2.5 -1,-0.3 -5,-0.3 -2,-0.2 0.899 117.6 42.4 -57.5 -43.0 2.8 10.1 75.8 156 137 B K H X< S+ 0 0 137 -4,-2.0 3,-1.8 -3,-0.7 -2,-0.2 0.971 111.7 50.1 -70.7 -57.5 0.2 8.6 73.4 157 138 B T H 3< S+ 0 0 57 -4,-3.1 -2,-0.2 1,-0.3 -3,-0.2 0.888 122.5 34.7 -51.9 -43.1 -0.1 11.4 70.9 158 139 B F T 3< 0 0 14 -4,-2.2 -1,-0.3 -5,-0.4 -2,-0.2 0.378 360.0 360.0 -93.0 5.5 3.7 11.6 70.5 159 140 B N < 0 0 108 -3,-1.8 -2,-0.2 -5,-0.1 -1,-0.2 0.992 360.0 360.0 -66.1 360.0 4.0 7.8 71.0 160 !* 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 0.0 161 109 C W 0 0 45 0, 0.0 3,-0.1 0, 0.0 160,-0.1 0.000 360.0 360.0 360.0 -2.2 5.7 11.6 17.9 162 110 C D + 0 0 108 1,-0.2 0, 0.0 0, 0.0 0, 0.0 0.694 360.0 28.1 -48.9 -15.2 2.7 9.4 18.0 163 111 C S S S+ 0 0 79 2,-0.1 -1,-0.2 3,-0.0 3,-0.1 0.718 78.3 114.7-123.8 -25.9 1.0 12.3 19.9 164 112 C L - 0 0 3 1,-0.1 2,-0.2 -3,-0.1 5,-0.1 -0.218 68.7-117.5 -50.3 131.2 2.2 15.9 19.1 165 113 C P >> - 0 0 53 0, 0.0 3,-3.5 0, 0.0 4,-1.3 -0.569 25.2-112.8 -73.7 140.8 -0.6 17.8 17.5 166 114 C D H 3> S+ 0 0 66 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.781 118.4 63.7 -42.8 -34.0 0.3 19.0 13.9 167 115 C E H 3> S+ 0 0 165 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.901 103.9 48.1 -62.5 -33.8 0.3 22.5 15.1 168 116 C L H <> S+ 0 0 8 -3,-3.5 4,-1.8 2,-0.2 -2,-0.2 0.826 106.7 55.6 -75.3 -28.9 3.2 21.5 17.4 169 117 C L H X S+ 0 0 0 -4,-1.3 4,-3.0 1,-0.2 5,-0.2 0.940 105.7 52.1 -67.5 -38.7 5.1 19.8 14.6 170 118 C L H X S+ 0 0 28 -4,-2.3 4,-2.5 1,-0.3 -1,-0.2 0.849 104.8 57.0 -62.9 -34.7 4.9 23.0 12.6 171 119 C G H X S+ 0 0 26 -4,-1.2 4,-0.6 -5,-0.2 -1,-0.3 0.908 109.8 44.1 -62.5 -43.3 6.4 24.8 15.6 172 120 C I H >< S+ 0 0 0 -4,-1.8 3,-1.6 1,-0.2 4,-0.2 0.968 114.9 47.7 -65.1 -50.2 9.4 22.4 15.5 173 121 C F H >< S+ 0 0 1 -4,-3.0 3,-2.2 1,-0.3 -2,-0.2 0.833 100.0 68.2 -59.7 -31.5 9.7 22.7 11.7 174 122 C S H 3< S+ 0 0 72 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.757 92.0 62.2 -60.4 -24.7 9.5 26.5 11.9 175 123 C C T << S+ 0 0 49 -3,-1.6 2,-0.3 -4,-0.6 -1,-0.3 0.552 88.5 89.3 -77.2 -8.6 12.9 26.4 13.6 176 124 C L S < S- 0 0 10 -3,-2.2 2,-0.2 -4,-0.2 5,-0.1 -0.679 85.9-114.7 -91.4 145.1 14.5 25.0 10.6 177 125 C C > - 0 0 65 -2,-0.3 3,-2.4 1,-0.1 4,-0.5 -0.576 43.1-103.0 -73.4 142.4 16.0 27.1 7.9 178 126 C L G > S+ 0 0 76 1,-0.3 3,-2.3 -2,-0.2 4,-0.4 0.777 118.4 59.1 -35.2 -55.1 13.9 26.5 4.7 179 127 C P G > S+ 0 0 89 0, 0.0 3,-1.3 0, 0.0 4,-0.4 0.832 98.8 65.1 -49.4 -29.4 16.4 24.2 2.8 180 128 C E G X> S+ 0 0 15 -3,-2.4 4,-1.5 1,-0.3 3,-1.1 0.754 83.1 72.9 -63.8 -30.9 16.1 21.9 5.9 181 129 C L H <> S+ 0 0 3 -3,-2.3 4,-3.1 -4,-0.5 -1,-0.3 0.738 84.0 68.7 -59.2 -21.6 12.4 21.3 5.2 182 130 C L H <> S+ 0 0 130 -3,-1.3 4,-1.2 -4,-0.4 -1,-0.3 0.897 101.1 48.2 -63.3 -38.1 13.4 19.1 2.2 183 131 C K H X4 S+ 0 0 63 -3,-1.1 3,-0.8 -4,-0.4 -2,-0.2 0.970 111.6 48.0 -65.6 -52.4 14.8 16.7 4.8 184 132 C V H >X S+ 0 0 0 -4,-1.5 3,-2.1 1,-0.3 4,-0.6 0.923 107.4 56.5 -54.4 -45.8 11.7 16.8 6.9 185 133 C S H 3< S+ 0 0 28 -4,-3.1 -1,-0.3 1,-0.3 7,-0.2 0.799 103.1 55.9 -60.4 -27.2 9.5 16.2 3.9 186 134 C G T << S+ 0 0 34 -4,-1.2 -1,-0.3 -3,-0.8 -2,-0.2 0.250 91.4 76.0 -88.1 13.3 11.3 13.1 3.1 187 135 C V T <4 S- 0 0 11 -3,-2.1 2,-0.3 1,-0.3 -1,-0.2 0.918 103.6 -41.6 -89.3 -51.6 10.7 11.4 6.5 188 136 C C X - 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0 0 3 -3,-1.7 -35,-2.8 -37,-0.2 -34,-0.3 -0.986 69.6-146.2-130.3 125.6 -0.0 17.4 33.4 246 51 D N > - 0 0 48 -2,-0.4 4,-3.1 -37,-0.2 5,-0.2 -0.364 29.9-102.1 -83.6 170.9 1.4 14.7 35.7 247 52 D A H > S+ 0 0 9 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.894 117.0 52.8 -59.3 -43.6 3.5 15.4 38.7 248 53 D A H > S+ 0 0 68 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.917 116.3 38.5 -63.1 -42.4 6.8 14.4 37.1 249 54 D I H > S+ 0 0 8 2,-0.2 4,-2.9 1,-0.2 3,-0.2 0.926 113.7 55.4 -74.4 -39.0 6.3 16.7 34.2 250 55 D L H X S+ 0 0 1 -4,-3.1 4,-3.2 1,-0.2 5,-0.2 0.891 104.7 54.9 -58.7 -38.8 4.8 19.5 36.3 251 56 D K H X S+ 0 0 43 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.915 110.9 44.9 -61.2 -40.7 7.8 19.5 38.5 252 57 D K H X S+ 0 0 56 -4,-1.2 4,-2.5 -3,-0.2 -2,-0.2 0.900 111.8 51.3 -71.5 -39.1 10.0 20.0 35.5 253 58 D V H X S+ 0 0 4 -4,-2.9 4,-3.0 2,-0.2 -2,-0.2 0.945 111.7 48.2 -62.4 -46.2 7.8 22.7 34.1 254 59 D I H X S+ 0 0 27 -4,-3.2 4,-3.1 1,-0.2 -2,-0.2 0.921 109.4 53.1 -59.2 -45.7 7.9 24.4 37.5 255 60 D Q H X S+ 0 0 22 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.925 111.5 45.5 -51.8 -50.9 11.7 24.1 37.5 256 61 D W H X S+ 0 0 8 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.948 114.6 48.0 -59.5 -51.4 11.9 25.8 34.1 257 62 D C H X S+ 0 0 4 -4,-3.0 4,-0.5 2,-0.2 -2,-0.2 0.880 109.6 53.3 -56.5 -40.1 9.5 28.5 35.1 258 63 D T H >< S+ 0 0 6 -4,-3.1 3,-1.1 2,-0.2 4,-0.2 0.954 111.9 44.5 -62.6 -46.0 11.4 29.1 38.3 259 64 D H H 3< S+ 0 0 49 -4,-2.6 3,-0.4 1,-0.2 -2,-0.2 0.894 119.9 42.4 -66.2 -36.7 14.7 29.6 36.4 260 65 D H H >< S+ 0 0 13 -4,-2.6 3,-2.0 1,-0.2 -1,-0.2 0.311 79.1 109.4 -91.9 9.5 13.0 31.8 33.8 261 66 D K T << S+ 0 0 34 -3,-1.1 -1,-0.2 -4,-0.5 -2,-0.1 0.732 79.3 50.0 -57.4 -29.7 10.8 33.8 36.2 262 67 D D T 3 0 0 100 -3,-0.4 -1,-0.3 -4,-0.2 -2,-0.1 0.456 360.0 360.0 -88.7 -4.5 12.9 37.0 35.7 263 68 D D < 0 0 149 -3,-2.0 -3,-0.0 -4,-0.0 -4,-0.0 -0.412 360.0 360.0 -61.4 360.0 12.8 36.7 31.9 264 ! 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 0.0 265 84 D D 0 0 136 0, 0.0 3,-0.0 0, 0.0 37,-0.0 0.000 360.0 360.0 360.0 137.6 20.4 30.3 20.3 266 85 D I - 0 0 19 1,-0.1 5,-0.1 33,-0.1 33,-0.0 -0.530 360.0-117.3 -73.2 121.2 19.4 28.0 23.1 267 86 D P > - 0 0 73 0, 0.0 4,-2.4 0, 0.0 5,-0.2 -0.221 22.1-118.3 -55.7 143.9 20.9 29.2 26.4 268 87 D V H > S+ 0 0 111 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.876 113.5 56.7 -53.0 -41.4 23.3 26.8 27.9 269 88 D W H > S+ 0 0 37 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.927 109.0 46.3 -59.6 -46.1 21.1 26.4 31.0 270 89 D D H > S+ 0 0 3 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.890 108.6 56.1 -63.6 -38.2 18.2 25.3 28.9 271 90 D Q H < S+ 0 0 88 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.936 112.5 41.3 -61.4 -40.6 20.3 22.9 26.9 272 91 D E H >< S+ 0 0 95 -4,-2.3 3,-1.8 1,-0.2 -2,-0.2 0.932 113.3 53.2 -74.2 -41.0 21.4 21.1 30.0 273 92 D F H 3< S+ 0 0 18 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.905 110.3 49.5 -55.7 -38.9 17.9 21.2 31.4 274 93 D L T 3< S+ 0 0 7 -4,-2.8 2,-2.2 -5,-0.2 -1,-0.3 0.305 74.9 109.7 -87.1 8.4 16.6 19.6 28.2 275 94 D K < + 0 0 146 -3,-1.8 2,-0.2 -5,-0.1 -1,-0.1 -0.558 54.1 119.5 -82.8 75.6 19.1 16.9 28.2 276 95 D V S S- 0 0 39 -2,-2.2 -2,-0.0 1,-0.1 -3,-0.0 -0.740 73.8 -73.9-127.4 175.1 16.4 14.4 29.0 277 96 D D > - 0 0 110 -2,-0.2 4,-2.1 1,-0.1 3,-0.2 -0.313 48.6-104.2 -74.7 162.8 15.2 11.4 27.1 278 97 D Q H > S+ 0 0 67 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.852 118.3 54.1 -50.4 -43.6 13.1 11.9 24.0 279 98 D G H > S+ 0 0 41 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.910 108.1 47.8 -61.3 -44.7 9.8 11.0 25.7 280 99 D T H > S+ 0 0 26 -3,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.903 110.4 54.5 -62.6 -38.1 10.2 13.5 28.5 281 100 D L H X S+ 0 0 2 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.908 109.3 46.1 -63.7 -44.1 11.1 16.1 25.9 282 101 D F H X S+ 0 0 18 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.889 111.5 52.2 -67.0 -32.9 7.9 15.4 24.0 283 102 D E H X S+ 0 0 84 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.873 108.3 52.1 -69.2 -32.6 5.9 15.5 27.3 284 103 D L H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.865 107.2 51.5 -69.1 -36.8 7.5 18.8 28.0 285 104 D I H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.954 112.5 47.2 -62.5 -50.0 6.4 20.1 24.6 286 105 D L H X S+ 0 0 54 -4,-2.5 4,-3.1 1,-0.2 -2,-0.2 0.887 113.0 47.3 -56.9 -44.2 2.8 18.9 25.4 287 106 D A H X S+ 0 0 4 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.864 111.1 51.2 -67.7 -38.1 2.8 20.4 28.8 288 107 D A H X>S+ 0 0 0 -4,-2.4 5,-2.6 2,-0.2 4,-0.7 0.887 114.1 45.1 -65.2 -40.4 4.2 23.7 27.5 289 108 D N H ><5S+ 0 0 75 -4,-2.4 3,-0.7 3,-0.2 -2,-0.2 0.950 114.0 48.6 -66.5 -49.8 1.4 23.7 24.9 290 109 D Y H 3<5S+ 0 0 77 -4,-3.1 -2,-0.2 1,-0.3 -3,-0.2 0.910 119.8 37.6 -57.1 -44.6 -1.3 22.7 27.4 291 110 D L H 3<5S- 0 0 2 -4,-2.7 -64,-1.0 -5,-0.2 -63,-0.5 0.513 108.9-124.1 -87.0 -4.6 -0.2 25.4 29.9 292 111 D D T <<5 + 0 0 64 -4,-0.7 -66,-2.2 -3,-0.7 2,-0.8 0.981 50.0 160.0 57.1 59.2 0.6 27.9 27.2 293 112 D I >< - 0 0 3 -5,-2.6 4,-2.7 -68,-0.2 3,-0.5 -0.831 17.9-172.9-111.2 87.9 4.2 28.6 28.3 294 113 D K H > S+ 0 0 151 -2,-0.8 4,-2.6 -70,-0.3 -1,-0.2 0.842 78.6 51.2 -48.9 -44.9 5.6 30.1 25.1 295 114 D G H > S+ 0 0 28 2,-0.2 4,-2.2 -71,-0.2 -1,-0.2 0.855 113.4 46.1 -66.8 -34.6 9.2 30.2 26.1 296 115 D L H > S+ 0 0 0 -3,-0.5 4,-2.3 2,-0.2 5,-0.2 0.920 111.6 51.1 -72.0 -44.6 9.2 26.6 27.2 297 116 D L H X S+ 0 0 31 -4,-2.7 4,-2.2 -9,-0.2 -2,-0.2 0.900 111.7 49.8 -57.7 -45.0 7.4 25.6 24.0 298 117 D D H X S+ 0 0 67 -4,-2.6 4,-2.9 -5,-0.2 5,-0.2 0.946 111.5 44.2 -61.5 -52.9 10.0 27.5 22.0 299 118 D V H X S+ 0 0 4 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.910 116.1 47.9 -64.5 -36.0 13.1 26.0 23.5 300 119 D T H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.905 113.0 46.3 -72.8 -36.8 11.8 22.5 23.5 301 120 D C H X S+ 0 0 4 -4,-2.2 4,-2.7 -5,-0.2 -2,-0.2 0.932 112.3 52.4 -70.8 -39.4 10.6 22.7 19.9 302 121 D K H X S+ 0 0 73 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.879 107.0 54.0 -58.7 -43.2 14.1 24.2 19.0 303 122 D T H X S+ 0 0 21 -4,-2.2 4,-0.7 2,-0.2 -1,-0.2 0.905 110.5 44.2 -59.6 -43.1 15.8 21.3 20.8 304 123 D V H >< S+ 0 0 0 -4,-1.8 3,-1.3 1,-0.2 4,-0.4 0.919 110.2 56.7 -69.4 -39.7 13.9 18.7 18.7 305 124 D A H >X S+ 0 0 1 -4,-2.7 4,-2.1 1,-0.3 3,-1.4 0.868 102.2 56.1 -57.0 -38.1 14.5 20.8 15.6 306 125 D N H 3< S+ 0 0 100 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.735 99.8 59.1 -66.8 -22.5 18.3 20.5 16.3 307 126 D M T << S+ 0 0 49 -3,-1.3 -1,-0.3 -4,-0.7 -2,-0.2 0.547 110.3 44.6 -80.0 -8.8 17.9 16.7 16.3 308 127 D I T X4 S+ 0 0 0 -3,-1.4 3,-1.2 -4,-0.4 -2,-0.2 0.789 89.6 100.9 -99.9 -41.1 16.7 17.1 12.7 309 128 D K T 3< S+ 0 0 90 -4,-2.1 3,-0.1 1,-0.2 -133,-0.0 -0.036 91.1 9.1 -46.1 145.2 19.2 19.5 11.3 310 129 D G T 3 S+ 0 0 56 1,-0.2 2,-0.3 0, 0.0 -1,-0.2 0.753 104.8 114.3 52.8 28.6 22.0 18.2 9.2 311 130 D K < - 0 0 56 -3,-1.2 -1,-0.2 3,-0.0 -3,-0.0 -0.935 65.8-116.2-130.1 154.7 20.5 14.7 9.1 312 131 D T > - 0 0 55 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.460 32.6-111.6 -82.5 157.9 19.1 12.5 6.3 313 132 D P H > S+ 0 0 43 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.878 122.8 55.4 -55.2 -36.8 15.4 11.5 6.4 314 133 D E H > S+ 0 0 108 2,-0.2 4,-1.6 1,-0.2 -127,-0.0 0.894 107.5 46.1 -64.2 -41.6 16.8 8.0 7.0 315 134 D E H > S+ 0 0 79 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.856 111.8 53.6 -69.9 -33.2 18.8 9.2 10.1 316 135 D I H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 5,-0.3 0.928 105.2 52.2 -66.0 -44.8 15.7 11.1 11.3 317 136 D R H X S+ 0 0 113 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.911 110.6 51.0 -56.4 -44.0 13.4 8.0 11.1 318 137 D K H < S+ 0 0 144 -4,-1.6 -2,-0.2 3,-0.2 -1,-0.2 0.954 110.3 44.2 -58.6 -57.8 16.0 6.2 13.2 319 138 D T H < S+ 0 0 55 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.842 126.8 31.2 -61.3 -36.4 16.4 8.6 16.1 320 139 D F H < 0 0 14 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.537 360.0 360.0 -99.8 -8.4 12.7 9.3 16.4 321 140 D N < 0 0 179 -4,-1.8 -3,-0.2 -5,-0.3 -4,-0.1 0.992 360.0 360.0 67.9 360.0 11.4 5.9 15.3