HEADER TRANSCRIPTION/DNA 29-MAR-95 1PNR . COMPND 2 MOLECULE: DNA (5'- . SOURCE 2 SYNTHETIC: YES; . AUTHOR M.A.SCHUMACHER,K.Y.CHOI,H.ZALKIN,R.G.BRENNAN . flagSetFrame DONE ==== Generated by WOLFc v1.01 (last modified 28.04.2002) . ==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-NOV-2009 . ==== REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . 338 # 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 X-CB Y-CB Z-CB N-H.O=C C=O.H-N N-H.O=C C=O.H-N N-H.O=C C=O.H-N X1 Y1 Z1 X2 Y2 Z2 X3 Y3 Z3 1 3 A T > 0 0 97 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -36.4 17.3 -2.1 13.5 18.7 -2.9 13.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.2397 0.6998 0.6729 -0.8860 -0.1257 0.4464 0.3970 -0.7032 0.5899 2 4 A I H > + 0 0 47 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.000 360.0 53.1 -61.9 -37.3 16.6 1.7 13.4 16.5 2.7 12.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.7162 0.5168 0.4690 0.4353 -0.1945 0.8790 0.5455 0.8337 -0.0857 3 5 A K H > S+ 0 0 142 1,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.000 106.3 52.2 -59.7 -37.5 13.0 0.4 14.1 12.4 -0.6 13.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.4925 -0.3496 0.7970 -0.0701 0.9288 0.3640 -0.8675 0.1234 -0.4819 4 6 A D H > S+ 0 0 73 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.000 110.1 46.4 -69.4 -38.4 14.4 -1.5 16.9 15.3 -2.6 17.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.2214 0.1989 0.9547 -0.9576 0.2294 0.1743 -0.1843 -0.9528 0.2413 5 7 A V H X S+ 0 0 0 -4,-2.8 4,-1.7 1,-0.2 3,-0.4 0.000 107.2 57.8 -66.5 -44.5 16.0 1.5 18.3 17.2 2.4 17.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.3164 0.7899 0.5253 -0.2783 -0.6066 0.7447 0.9069 0.0894 0.4118 6 8 A A H X>S+ 0 0 5 -4,-3.3 5,-2.2 1,-0.2 4,-0.9 0.000 109.5 46.6 -51.1 -38.4 12.9 3.6 17.9 12.2 4.0 16.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.8329 0.1791 0.5236 0.5441 0.4377 0.7158 -0.1010 0.8811 -0.4620 7 9 A K H <5S+ 0 0 150 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.000 103.4 55.0 -78.1 -32.6 10.9 1.3 19.9 10.3 0.1 19.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.1616 -0.3231 0.9325 -0.2687 0.9236 0.2735 -0.9496 -0.2064 -0.2360 8 10 A R H <5S+ 0 0 134 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.000 120.6 39.5 -67.7 -28.0 13.1 0.7 22.9 14.6 0.3 22.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.1302 0.5143 0.8477 -0.9158 -0.2652 0.3015 0.3798 -0.8156 0.4365 9 11 A A H <5S- 0 0 7 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.000 106.3-130.9 -92.0 -21.1 13.0 4.5 23.1 13.9 5.2 22.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.5891 0.7978 0.1283 -0.1345 -0.2534 0.9580 0.7968 0.5471 0.2566 10 12 A N T <5 + 0 0 138 -4,-0.9 2,-0.3 1,-0.3 -3,-0.2 0.000 69.0 102.7 60.9 56.8 9.4 4.9 22.2 8.4 4.7 23.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.5925 0.7513 -0.2906 0.0659 -0.3143 -0.9470 -0.8029 -0.5803 0.1367 11 13 A V S - 0 0 57 -2,-0.3 4,-2.3 1,-0.1 3,-0.2 0.000 29.1-122.4 -87.0 152.6 9.6 7.4 15.8 8.9 8.4 14.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.5878 -0.2276 -0.7764 0.0508 -0.9473 0.3161 -0.8074 -0.2253 -0.5453 13 15 A T H > S+ 0 0 49 1,-0.3 4,-3.6 2,-0.2 5,-0.3 0.000 118.3 62.9 -54.3 -39.1 12.4 6.1 13.7 12.2 5.2 12.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.7023 0.4903 -0.5160 0.5038 0.1697 0.8470 0.5029 -0.8548 -0.1278 14 16 A T H > S+ 0 0 70 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.000 104.1 47.9 -51.9 -47.9 12.1 9.6 12.1 10.7 10.4 11.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.4298 0.8662 0.2548 0.8591 -0.3055 -0.4107 -0.2779 0.3954 -0.8755 15 17 A T H >> S+ 0 0 24 -3,-0.2 4,-2.1 1,-0.2 3,-0.8 0.000 110.8 49.2 -56.4 -57.6 13.1 10.9 15.6 12.4 10.7 16.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.8703 0.0866 0.4848 0.2832 0.7174 -0.6365 -0.4029 0.6913 0.5998 16 18 A V H 3X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.3 5,-0.3 0.000 109.9 51.8 -50.3 -43.6 16.0 8.5 15.9 15.9 7.0 15.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.9074 -0.0602 -0.4160 0.3222 0.7353 0.5962 0.2700 -0.6750 0.6866 17 19 A S H 3X S+ 0 0 47 -4,-3.6 4,-1.7 -5,-0.2 -1,-0.3 0.000 106.6 54.2 -67.7 -30.3 17.2 9.5 12.6 16.6 9.1 11.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.5206 0.7723 -0.3640 0.7688 -0.2387 0.5932 0.3712 -0.5887 -0.7180 18 20 A H H S+ 0 0 31 -4,-2.2 5,-1.9 -3,-0.8 4,-0.7 0.000 112.0 43.3 -69.7 -35.7 17.1 13.1 13.5 15.8 13.9 13.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.5889 0.6521 0.4774 0.7067 -0.1289 -0.6957 -0.3921 0.7471 -0.5367 19 21 A V H <5S+ 0 0 10 -4,-2.1 3,-0.5 2,-0.2 -1,-0.2 0.000 109.8 54.5 -77.3 -36.7 19.2 12.7 16.5 18.8 12.2 17.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.9629 -0.1362 0.2328 0.2378 0.8362 -0.4942 -0.1274 0.5312 0.8376 20 22 A I H <5S+ 0 0 43 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.000 122.9 30.2 -65.0 -31.9 21.6 10.4 15.0 21.3 9.1 14.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.7668 0.1606 -0.6215 0.5006 0.4565 0.7355 0.4018 -0.8751 0.2697 21 23 A N H <5S- 0 0 57 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.000 98.0-132.2-111.3 12.5 22.2 13.0 12.3 21.9 12.7 10.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.2454 0.9375 -0.2466 0.7551 -0.0253 0.6551 0.6079 -0.3470 -0.7142 22 24 A K T <5 + 0 0 183 -4,-0.7 -3,-0.2 -3,-0.5 -4,-0.1 0.000 59.1 142.1 45.2 50.1 21.4 16.2 14.3 22.9 16.7 14.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.2818 0.9207 -0.2701 -0.9102 -0.1675 0.3787 0.3034 0.3526 0.8852 23 25 A T < + 0 0 78 -5,-1.9 2,-0.3 1,-0.3 -1,-0.1 0.000 64.5 8.8-105.1 2.7 19.3 17.2 11.4 19.1 16.0 10.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.7177 0.5948 -0.3622 0.5684 0.8008 0.1888 0.4023 -0.0704 -0.9128 24 26 A R S S- 0 0 142 -6,-0.5 -1,-0.3 -9,-0.1 2,-0.1 0.000 95.8 -79.2-169.9 153.1 16.4 18.9 13.3 15.1 18.4 12.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.4642 0.3175 0.8269 0.6095 0.7918 0.0381 -0.6427 0.5217 -0.5611 25 27 A F - 0 0 171 -2,-0.3 2,-0.4 -3,-0.1 -6,-0.1 0.000 44.8-175.0 -65.4 138.0 16.0 19.8 17.1 15.6 21.3 17.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.2779 -0.4277 0.8601 0.7800 -0.6231 -0.0579 0.5607 0.6548 0.5068 26 28 A V - 0 0 19 -2,-0.1 5,-0.0 -8,-0.1 -2,-0.0 0.000 32.6-101.4-136.0 135.1 15.1 17.1 19.6 15.6 15.7 19.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.2420 -0.3305 0.9122 -0.8169 0.5768 -0.0077 -0.5236 -0.7471 -0.4096 27 29 A A > - 0 0 44 -2,-0.4 4,-4.4 1,-0.1 5,-0.2 0.000 30.4-121.1 -51.4 142.8 14.3 17.5 23.2 13.0 17.2 23.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.4863 -0.2831 0.8267 0.6919 0.7026 -0.1663 -0.5337 0.6529 0.5375 28 30 A E H > S+ 0 0 130 1,-0.3 4,-4.2 2,-0.2 5,-0.2 0.000 114.2 51.1 -47.3 -55.9 17.2 16.5 25.5 17.7 17.3 26.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.2628 -0.8399 0.4748 0.3229 -0.3872 -0.8636 0.9092 0.3803 0.1694 29 31 A E H > S+ 0 0 166 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.000 114.7 41.7 -52.5 -44.1 15.1 14.0 27.1 13.7 14.3 27.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.3145 -0.9179 -0.2419 0.9098 -0.3642 0.1991 -0.2708 -0.1574 0.9497 30 32 A T H > S+ 0 0 45 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.000 113.7 52.8 -68.0 -53.4 14.2 12.5 23.9 13.3 13.2 22.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.4658 -0.6038 -0.6468 -0.0184 -0.7375 0.6751 -0.8847 -0.3026 -0.3547 31 33 A R H X S+ 0 0 81 -4,-4.4 4,-1.9 1,-0.2 -2,-0.2 0.000 111.3 47.3 -46.9 -46.2 17.6 12.8 22.5 18.4 14.1 22.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.8548 -0.5001 0.1385 -0.3337 -0.7342 -0.5913 0.3974 0.4592 -0.7945 32 34 A N H X S+ 0 0 79 -4,-4.2 4,-2.6 -5,-0.2 3,-0.5 0.000 106.0 55.6 -61.2 -61.5 19.0 11.0 25.5 19.0 11.4 27.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.0927 -0.9612 0.2599 0.6369 -0.1434 -0.7575 0.7653 0.2357 0.5989 33 35 A A H X S+ 0 0 39 -4,-2.0 4,-2.1 1,-0.3 -1,-0.2 0.000 107.4 53.2 -37.6 -37.0 16.6 8.2 25.5 15.2 8.5 25.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.1288 -0.8280 -0.5457 0.7240 -0.4545 0.5188 -0.6776 -0.3282 0.6581 34 36 A V H X S+ 0 0 0 -4,-2.0 4,-3.9 2,-0.2 -1,-0.3 0.000 107.8 47.0 -68.0 -55.0 17.6 7.5 22.0 17.6 8.5 20.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.7286 -0.5054 -0.4623 -0.4022 -0.8620 0.3084 -0.5544 -0.0388 -0.8313 35 37 A W H X S+ 0 0 92 -4,-1.9 4,-3.8 -3,-0.5 -2,-0.2 0.000 107.7 61.0 -52.8 -40.3 21.2 7.3 22.7 21.9 8.4 23.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.5605 -0.7082 0.4292 -0.0799 -0.5621 -0.8232 0.8243 0.4271 -0.3716 36 38 A A H X S+ 0 0 51 -4,-2.6 4,-2.4 1,-0.3 5,-0.3 0.000 112.2 35.6 -46.9 -60.7 20.3 5.1 25.5 19.0 5.3 26.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.1317 -0.9870 0.0923 0.9912 -0.1300 0.0251 -0.0127 0.0948 0.9954 37 39 A A H X S+ 0 0 2 -4,-2.1 4,-2.9 1,-0.2 5,-0.4 0.000 111.2 62.3 -60.6 -50.3 18.7 2.6 23.3 17.4 2.9 22.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.3431 -0.5965 -0.7256 0.4208 -0.5930 0.6865 -0.8398 -0.5409 0.0476 38 40 A I H <>S+ 0 0 3 -4,-3.9 5,-2.5 1,-0.2 -1,-0.2 0.000 110.7 44.2 -46.7 -40.5 21.3 3.2 20.6 21.9 4.5 20.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.9037 -0.3984 -0.1570 -0.4281 -0.8316 -0.3538 0.0103 0.3869 -0.9221 39 41 A K H ><5S+ 0 0 139 -4,-3.8 3,-3.0 -5,-0.3 -2,-0.2 0.000 115.3 37.5 -71.6 -66.5 23.6 2.0 23.1 24.6 2.7 24.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.2965 -0.8765 0.3791 0.0912 -0.3692 -0.9249 0.9507 0.3088 -0.0296 40 42 A E H 3<5S+ 0 0 98 -4,-2.4 -2,-0.2 1,-0.3 -3,-0.2 0.000 115.4 55.2 -51.6 -41.9 22.2 -1.1 24.7 21.1 -1.2 25.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.2206 -0.9157 -0.3359 0.9736 -0.1862 -0.1320 0.0583 -0.3562 0.9326 41 43 A L T 3<5S- 0 0 58 -4,-2.9 -1,-0.3 -5,-0.3 -2,-0.2 0.000 107.9-136.4 -63.7 -11.9 20.8 -2.2 21.5 19.9 -1.3 20.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.3941 -0.4122 -0.8214 0.1085 -0.8667 0.4869 -0.9126 -0.2811 -0.2968 42 44 A H T < 5 - 0 0 168 -3,-3.0 2,-0.2 -5,-0.4 -3,-0.2 0.000 33.4-165.2 56.3 47.3 24.3 -1.8 20.4 24.8 -3.2 20.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.4495 0.0663 -0.8908 0.2149 0.9599 0.1798 0.8671 -0.2722 0.4173 43 45 A Y < - 0 0 32 -5,-2.5 -1,-0.2 -6,-0.2 -2,-0.0 0.000 25.3-172.2 -73.9 131.9 23.3 -0.1 17.2 22.0 0.8 17.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.3056 0.3470 -0.8867 0.2982 -0.9193 -0.2570 -0.9043 -0.1858 -0.3844 44 46 A S - 0 0 97 -2,-0.2 -42,-0.1 2,-0.0 -1,-0.0 0.000 28.4-131.4-121.2 111.1 25.3 0.5 14.1 26.4 -0.4 13.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.0104 0.4182 -0.9083 -0.1818 0.8940 0.4095 0.9833 0.1609 0.0853 45 47 A P - 0 0 63 0, 0.0 2,-0.6 0, 0.0 3,-0.1 0.000 28.5-111.7 -55.4 137.5 23.5 2.7 11.7 23.9 4.1 11.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.1306 -0.0172 -0.9913 -0.6933 -0.7132 0.1036 -0.7088 0.7008 0.0812 46 48 A S > - 0 0 55 1,-0.2 4,-2.7 2,-0.0 5,-0.2 0.000 25.8-170.5 -82.5 116.0 23.6 1.1 8.2 22.6 0.1 7.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.3208 0.1758 -0.9307 0.9364 0.0891 0.3396 0.1426 -0.9804 -0.1360 47 49 A A H > S+ 0 0 71 -2,-0.6 4,-3.0 1,-0.2 5,-0.3 0.000 88.2 59.5 -71.4 -26.3 25.6 3.1 5.6 27.1 3.1 5.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.0866 0.1669 -0.9822 -0.8352 0.5253 0.1629 0.5431 0.8344 0.0939 48 50 A V H > S+ 0 0 117 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.000 107.1 42.8 -67.4 -41.7 24.3 0.9 3.0 24.6 -0.5 2.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.7715 0.0758 -0.6317 0.2793 0.9324 -0.2293 0.5716 -0.3534 -0.7406 49 51 A A H >> S+ 0 0 62 1,-0.2 4,-1.5 2,-0.2 3,-0.6 0.000 115.8 52.4 -58.7 -57.3 20.7 1.8 3.6 20.0 1.7 5.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.5192 0.8326 -0.1928 -0.0265 -0.2412 -0.9701 -0.8543 -0.4985 0.1473 50 52 A R H >X S+ 0 0 122 -4,-2.7 4,-2.2 1,-0.3 3,-0.5 0.000 109.1 46.1 -47.2 -46.6 21.7 5.4 4.0 22.6 6.0 5.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.2364 0.7400 -0.6297 -0.9452 0.0249 -0.3256 -0.2253 0.6722 0.7053 51 53 A S H 3X S+ 0 0 27 -4,-3.0 4,-1.6 1,-0.3 5,-0.5 0.000 101.9 67.1 -67.1 -30.0 23.6 5.6 0.7 24.8 4.8 0.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.2304 0.1018 -0.9678 -0.3737 0.9090 0.1846 0.8985 0.4041 -0.1714 52 54 A L H << S+ 0 0 143 -4,-1.8 -1,-0.3 -3,-0.6 -2,-0.2 0.000 116.1 26.2 -55.2 -42.0 20.7 3.9 -0.9 20.0 2.6 -0.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.8244 0.3095 -0.4740 0.5656 0.4155 -0.7124 -0.0236 -0.8553 -0.5176 53 55 A K H << S+ 0 0 188 -4,-1.5 -2,-0.2 -3,-0.5 -1,-0.1 0.000 121.9 45.7 -85.0 -63.7 18.7 7.0 -0.2 18.0 7.3 1.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.0755 0.9762 -0.2032 -0.1487 -0.2125 -0.9658 -0.9860 -0.0427 0.1613 54 56 A V H < S- 0 0 54 -4,-2.2 -3,-0.2 -5,-0.1 -2,-0.2 0.000 102.9-127.8 -59.6 -16.0 21.0 10.0 0.1 22.0 10.3 1.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.6144 0.5277 -0.5866 -0.7881 0.3753 -0.4879 -0.0373 0.7620 0.6465 55 57 A N S < S+ 0 0 137 -4,-1.6 2,-0.3 -5,-0.4 -3,-0.1 0.000 71.2 79.7 71.9 43.6 22.8 8.9 -3.0 22.2 9.7 -4.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.8491 0.0954 -0.5195 0.2418 -0.9446 0.2218 -0.4696 -0.3139 -0.8252 56 58 A H - 0 0 72 -5,-0.5 -1,-0.1 -6,-0.1 -2,-0.1 0.000 57.9-148.8-173.5 145.5 26.5 8.8 -2.3 26.9 10.3 -2.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.8402 -0.3209 0.4372 0.0496 -0.7572 -0.6512 0.5400 0.5689 -0.6203 57 59 A T - 0 0 32 56,-0.5 3,-0.1 -2,-0.3 -6,-0.1 0.000 31.2-132.1-100.3 -12.0 28.7 6.3 -0.6 29.4 5.4 -1.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.6542 -0.1810 0.7344 -0.7205 0.1462 0.6778 -0.2301 -0.9726 -0.0348 58 60 A K S S+ 0 0 90 1,-0.2 31,-1.2 30,-0.1 2,-0.4 0.000 70.6 116.6 58.0 46.1 31.2 8.6 0.8 30.7 8.9 2.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.9296 -0.1767 0.3234 0.3684 0.4650 -0.8050 -0.0082 0.8675 0.4973 59 61 A S E -a 89 0A 11 29,-0.2 56,-2.4 54,-0.2 57,-0.6 0.000 51.4-152.7-148.4 142.0 33.8 6.3 -0.5 33.4 4.9 -0.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.7396 -0.2719 -0.6157 0.5762 0.7284 0.3706 0.3477 -0.6288 0.6954 60 62 A I E -ab 90 116A 0 29,-3.3 31,-2.9 -2,-0.4 2,-0.5 0.000 9.4-141.3-120.1 144.6 36.5 6.7 -3.2 37.2 8.2 -3.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.6151 -0.3871 -0.6868 -0.7733 -0.4659 -0.4300 -0.1535 0.7956 -0.5860 61 63 A G E -ab 91 117A 0 55,-2.1 57,-2.2 -2,-0.4 2,-0.7 0.000 3.3-156.1-113.5 127.4 38.1 4.2 -5.4 37.2 3.4 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0.000 47.3-151.9-109.2 122.3 46.0 -5.6 -17.3 45.8 -6.9 -16.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.8209 -0.1823 -0.5412 0.4379 0.4073 -0.8014 0.3666 -0.8949 -0.2545 99 101 A L H > S+ 0 0 48 -2,-0.6 4,-4.8 2,-0.2 5,-0.3 0.000 98.8 46.3 -50.1 -49.0 43.1 -4.5 -19.4 43.0 -4.7 -20.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.9928 -0.0565 0.1059 0.0397 0.6779 0.7340 -0.1132 0.7329 -0.6708 100 102 A E H > S+ 0 0 122 1,-0.3 4,-2.9 2,-0.3 -1,-0.2 0.000 113.8 48.0 -55.6 -54.1 40.8 -7.3 -18.2 41.1 -8.7 -18.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.5184 -0.1727 0.8375 -0.6429 0.7245 -0.2485 -0.5639 -0.6672 -0.4866 101 103 A K H > S+ 0 0 85 1,-0.2 4,-2.1 -6,-0.2 5,-0.3 0.000 115.5 48.4 -58.0 -33.7 41.8 -6.7 -14.6 43.2 -6.7 -14.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.1829 0.7452 0.6412 -0.9326 -0.3379 0.1267 0.3110 -0.5749 0.7568 102 104 A Q H X S+ 0 0 5 -4,-2.9 4,-2.5 -7,-0.3 5,-0.3 0.000 106.2 51.6 -75.4 -47.8 41.2 -3.1 -15.4 42.1 -2.1 -16.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.8000 0.5991 -0.0325 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0.3435 121 123 A C - 0 0 1 -2,-0.3 2,-2.9 1,-0.2 -1,-0.1 0.000 41.2-148.7 -97.0 -3.6 47.4 3.2 -14.4 46.3 3.0 -15.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.6134 -0.5350 -0.5810 0.4217 -0.4001 0.8137 -0.6678 -0.7441 -0.0198 122 124 A S S S+ 0 0 10 2,-0.1 2,-0.5 22,-0.0 67,-0.4 0.000 79.3 48.3 70.9 -73.2 50.9 3.9 -15.7 51.6 2.6 -15.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.4898 -0.0545 -0.8701 0.0797 0.9967 -0.0176 0.8682 -0.0607 0.4925 123 125 A E - 0 0 34 -2,-2.9 65,-0.1 65,-0.1 64,-0.0 0.000 64.6-169.2-108.7 136.8 50.2 3.0 -19.2 50.9 1.8 -19.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.6034 0.1169 -0.7888 0.0508 0.9928 0.1082 0.7958 0.0252 -0.6050 124 126 A Y + 0 0 27 63,-0.5 -2,-0.1 -2,-0.5 -1,-0.0 0.000 9.0 176.6-121.2 84.6 47.2 4.3 -21.2 46.8 5.7 -20.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.6071 0.0185 -0.7944 -0.2176 -0.9654 0.1438 -0.7643 0.2601 0.5901 125 127 A P > - 0 0 64 0, 0.0 4,-3.0 0, 0.0 3,-0.4 0.000 48.5 -99.3 -75.4 170.6 46.5 2.7 -24.5 46.6 1.1 -24.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.6829 0.1055 -0.7229 0.3874 0.8912 -0.2359 0.6193 -0.4412 -0.6495 126 128 A E H > S+ 0 0 158 1,-0.3 4,-3.2 2,-0.2 5,-0.2 0.000 123.5 59.5 -56.6 -46.8 43.5 3.6 -26.6 43.4 3.7 -28.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.9826 -0.1530 0.1049 -0.0020 0.5739 0.8189 -0.1855 0.8045 -0.5642 127 129 A P H > S+ 0 0 73 0, 0.0 4,-1.6 0, 0.0 -1,-0.3 0.000 111.2 41.5 -51.2 -37.8 41.6 0.6 -25.3 42.3 -0.8 -25.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.5066 -0.1782 0.8436 -0.7445 0.5839 -0.3237 -0.4349 -0.7921 -0.4284 128 130 A L H > S+ 0 0 0 -3,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.000 110.1 53.7 -82.1 -34.1 42.1 1.9 -21.8 43.2 1.8 -20.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.3696 0.7234 0.5831 -0.9235 -0.3554 -0.1443 0.1029 -0.5919 0.7994 129 131 A L H X S+ 0 0 32 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.000 109.1 55.6 -59.7 -35.6 41.4 5.4 -22.5 42.0 6.4 -23.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.8639 0.4997 -0.0632 -0.1522 -0.1395 0.9784 0.4801 0.8549 0.1966 130 132 A A H < S+ 0 0 41 -4,-3.2 4,-0.4 -5,-0.2 -2,-0.2 0.000 107.4 43.5 -59.3 -48.3 38.2 4.1 -24.1 38.3 3.1 -25.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.9050 -0.3175 0.2832 -0.2655 0.9416 0.2073 -0.3324 0.1124 -0.9364 131 133 A M H >< S+ 0 0 14 -4,-1.6 3,-2.0 1,-0.2 4,-0.4 0.000 110.5 59.8 -66.6 -40.1 36.9 2.2 -21.1 37.6 1.0 -20.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.4197 0.2868 0.8612 -0.8154 0.2977 -0.4965 -0.3987 -0.9106 0.1089 132 134 A L H >< S+ 0 0 2 -4,-2.4 3,-1.6 1,-0.3 -2,-0.2 0.000 101.9 52.5 -54.7 -42.7 37.8 5.1 -19.0 39.2 5.8 -19.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.4528 0.8596 0.2367 -0.6098 -0.4922 0.6212 0.6505 0.1369 0.7471 133 135 A E G >< S+ 0 0 81 -4,-2.0 3,-1.0 1,-0.3 -1,-0.3 0.000 93.5 69.6 -74.6 -6.7 35.6 7.3 -20.9 35.8 7.7 -22.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.9782 0.1861 -0.0918 -0.0303 0.3099 0.9503 0.2053 0.9324 -0.2975 134 136 A E G < S+ 0 0 142 -3,-2.0 -1,-0.3 -4,-0.4 3,-0.2 0.000 101.9 49.2 -82.8 -5.3 32.6 5.1 -20.5 32.5 3.6 -20.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.7857 -0.0779 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155 A T S S- 0 0 4 -3,-0.3 162,-0.4 -14,-0.1 -12,-0.2 0.000 75.3-101.9-163.0 165.5 39.0 14.2 -16.4 40.1 13.2 -16.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.6000 0.3171 0.7345 -0.7942 0.3461 0.4994 -0.0958 -0.8830 0.4595 154 156 A D E -d 141 0A 0 -14,-2.3 -12,-2.8 -2,-0.3 2,-0.4 0.000 34.5-156.7 -89.8 157.4 41.1 16.0 -14.1 40.8 16.5 -12.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.9705 0.1671 0.1737 0.1084 0.3411 -0.9338 -0.2153 0.9251 0.3129 155 157 A A E -de 142 316A 2 160,-2.6 162,-2.8 -14,-0.2 2,-0.6 0.000 17.1-163.1-141.4 131.0 44.8 15.8 -14.3 45.3 15.8 -15.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.9502 0.0769 0.3019 -0.1996 -0.5939 0.7794 0.2393 -0.8009 -0.5490 156 158 A V E - e 0 317A 1 -14,-1.8 -11,-0.8 -2,-0.4 2,-0.4 0.000 24.9-155.8-106.1 130.5 47.5 16.4 -11.9 47.6 16.0 -10.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.9968 0.0698 -0.0394 -0.0798 0.8183 -0.5692 -0.0075 0.5705 0.8212 157 159 A I E -de 145 318A 12 160,-3.2 162,-2.7 -2,-0.6 -11,-0.1 0.000 13.2-159.5-114.4 126.4 50.8 16.8 -13.9 50.6 17.4 -15.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.9982 0.0353 -0.0493 0.0518 -0.9188 0.3913 -0.0315 -0.3931 -0.9189 158 160 A D - 0 0 6 -13,-0.7 -12,-0.1 -2,-0.4 160,-0.1 0.000 28.8-129.0 -84.3 -8.1 54.4 16.2 -12.6 54.8 14.8 -12.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.9538 0.2987 0.0335 -0.2878 0.8756 0.3879 0.0866 -0.3796 0.9211 159 161 A N + 0 0 30 -13,-0.4 4,-0.4 161,-0.1 3,-0.2 0.000 43.6 165.9 60.0 41.4 56.7 18.1 -14.9 57.0 19.3 -14.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.9795 -0.0585 -0.1928 -0.2015 -0.2952 -0.9339 -0.0023 0.9536 -0.3010 160 162 A A > + 0 0 2 1,-0.2 4,-2.2 2,-0.2 37,-0.2 0.000 66.9 59.4 -63.5 -24.4 58.7 15.0 -15.4 58.0 13.7 -15.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.8593 -0.2923 -0.4198 0.5115 0.4756 0.7157 -0.0095 -0.8297 0.5581 161 163 A F H > S+ 0 0 103 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.000 103.4 48.9 -75.2 -43.0 60.5 16.4 -18.3 59.7 17.2 -19.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.8248 0.5389 -0.1713 0.5654 -0.7865 0.2484 -0.0009 -0.3018 -0.9534 162 164 A E 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