HEADER TRANSCRIPTION/DNA 22-MAR-94 1PAR . COMPND 2 MOLECULE: DNA (5'- . SOURCE 2 SYNTHETIC: YES; . AUTHOR B.E.RAUMANN,M.A.ROULD,C.O.PABO,R.T.SAUER . 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 . 208 # 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 1 A M 0 0 87 0, 0.0 2,-1.8 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 119.9 20.3 1.2 10.4 21.8 1.1 11.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.2330 0.9145 -0.3308 -0.9080 0.3264 0.2628 0.3483 0.2391 0.9064 2 2 A K + 0 0 212 1,-0.2 0, 0.0 2,-0.1 0, 0.0 0.000 360.0 30.9 -77.6 78.6 19.5 4.4 8.5 18.3 5.3 8.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.4499 0.7516 -0.4825 0.3404 -0.6437 -0.6854 -0.8257 0.1442 -0.5454 3 3 A G > + 0 0 20 -2,-1.8 4,-0.9 4,-0.0 -1,-0.2 0.000 53.2 142.6 137.0 62.6 23.0 5.4 7.3 23.0 6.5 8.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.9973 -0.0302 -0.0670 -0.0727 -0.2809 -0.9570 0.0100 0.9593 -0.2823 4 4 A M T 4 S+ 0 0 77 -3,-0.4 -2,-0.1 2,-0.1 63,-0.0 0.000 80.3 52.9-100.9 13.3 25.7 2.7 6.6 25.4 1.2 6.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.8523 -0.1696 -0.4948 0.4541 0.7094 0.5390 0.2596 -0.6841 0.6816 5 5 A S T 4 S+ 0 0 111 61,-0.0 -1,-0.1 3,-0.0 -3,-0.0 0.000 113.7 35.7-106.9 -60.4 27.0 4.6 3.6 26.1 5.0 2.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.6691 0.6771 -0.3064 0.7430 -0.6004 0.2959 0.0164 -0.4256 -0.9047 6 6 A K T 4 S+ 0 0 187 2,-0.1 -2,-0.1 60,-0.0 -3,-0.0 0.000 102.9 92.8 -55.0 -48.6 27.6 8.0 5.0 26.5 9.0 5.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.5925 0.3570 0.7221 0.7971 -0.1303 -0.5896 -0.1164 0.9250 -0.3618 7 7 A M S < S- 0 0 38 -4,-0.9 2,-0.1 1,-0.1 -4,-0.0 0.000 79.0-114.8 -57.0 145.9 28.7 6.6 8.4 27.9 5.6 9.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.8233 -0.3554 0.4426 0.4096 0.9118 -0.0299 -0.3930 0.2059 0.8962 8 8 A P - 0 0 35 0, 0.0 59,-0.9 0, 0.0 2,-0.2 0.000 28.6-121.5 -81.3 156.3 32.4 5.8 9.2 33.2 6.7 10.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.5947 -0.7757 0.2112 -0.1279 -0.3507 -0.9277 0.7937 0.5247 -0.3078 9 9 A Q E -A 66 0A 103 57,-0.2 2,-0.4 -2,-0.1 57,-0.2 0.000 13.9-156.8 -94.5 163.2 33.6 2.4 9.8 34.2 1.4 8.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.4390 -0.5865 0.6807 -0.7776 0.1315 0.6149 -0.4502 -0.7992 -0.3983 10 10 A F E -A 65 0A 33 55,-1.6 55,-2.8 -2,-0.2 2,-0.7 0.000 19.1-133.8-142.2 115.2 35.4 0.9 12.8 34.8 1.2 14.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.5352 -0.7148 0.4502 0.7726 0.1987 -0.6029 0.3415 0.6705 0.6586 11 11 A N E -A 64 0A 49 -2,-0.4 2,-0.3 53,-0.2 53,-0.2 0.000 22.9-172.2 -79.1 108.5 37.5 -2.1 12.3 38.8 -2.1 11.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.2677 -0.8653 0.4237 -0.9488 -0.3132 -0.0401 0.1674 -0.3913 -0.9049 12 12 A L E -A 63 0A 1 51,-2.8 51,-1.7 -2,-0.7 2,-0.4 0.000 7.0-169.5 -90.9 149.7 36.9 -4.9 14.9 35.6 -5.4 15.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.3805 -0.8885 0.2567 0.8503 0.4452 0.2806 -0.3636 0.1115 0.9249 13 13 A R E +A 62 0A 77 -2,-0.3 49,-0.2 49,-0.2 47,-0.1 0.000 22.6 157.6-141.6 102.0 39.1 -7.9 15.1 40.6 -7.7 14.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.2433 -0.8780 0.4123 -0.8659 -0.3881 -0.3155 0.4370 -0.2802 -0.8547 14 14 A W - 0 0 0 47,-1.7 2,-0.3 -2,-0.4 74,-0.0 0.000 47.3 -77.6-123.4 168.6 37.8 -10.6 17.4 36.3 -10.4 17.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.0524 -0.9449 0.3232 0.9512 0.0513 0.3043 -0.3041 0.3234 0.8961 15 15 A P >> - 0 0 31 0, 0.0 4,-1.5 0, 0.0 3,-0.7 0.000 40.0-123.4 -72.4 129.4 38.1 -14.3 17.9 38.3 -14.8 19.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.4412 -0.8361 -0.3261 0.4183 0.1298 -0.8990 0.7939 -0.5330 0.2924 16 16 A R H 3> S+ 0 0 126 -2,-0.3 4,-2.1 1,-0.2 5,-0.3 0.000 108.9 62.9 -37.6 -43.0 36.1 -16.4 15.5 36.8 -17.5 14.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.8645 -0.5011 0.0399 -0.5023 0.8582 -0.1060 0.0189 -0.1117 -0.9936 17 17 A E H >> S+ 0 0 137 1,-0.2 4,-2.2 2,-0.2 3,-0.5 0.000 106.9 41.3 -52.2 -58.5 34.3 -18.0 18.3 34.9 -18.6 19.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.8665 0.1889 0.4621 -0.4982 -0.2680 -0.8246 -0.0320 -0.9447 0.3263 18 18 A V H <> S+ 0 0 1 -3,-0.7 4,-2.9 1,-0.3 -2,-0.2 0.000 113.9 51.7 -54.7 -51.2 32.7 -14.7 19.5 33.5 -13.6 20.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.6861 0.6472 -0.3322 -0.7201 -0.6689 0.1842 -0.1031 0.3656 0.9250 19 19 A L H 3X S+ 0 0 2 -4,-1.5 4,-2.3 2,-0.2 -1,-0.3 0.000 109.3 49.4 -60.1 -37.2 31.9 -13.4 16.1 32.8 -13.0 14.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.7027 -0.1679 -0.6914 -0.6935 0.3791 0.6127 0.1592 0.9100 -0.3828 20 20 A D H X>S+ 0 0 3 -4,-1.9 3,-2.3 -5,-0.3 4,-1.7 0.000 107.7 52.2 -62.5 -48.6 22.0 -11.8 15.3 23.1 -11.1 14.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.6924 0.2168 -0.6882 -0.6754 0.1410 0.7239 0.2539 0.9660 0.0488 27 27 A E H 3<5S+ 0 0 152 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.000 110.5 47.4 -51.2 -42.0 20.3 -14.1 12.8 21.0 -15.4 12.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.9102 -0.4003 -0.1068 -0.3546 0.8860 -0.2988 0.2142 -0.2341 -0.9483 28 28 A E H 3<5S+ 0 0 108 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.000 111.4 51.7 -84.3 -2.8 17.9 -15.2 15.4 18.1 -16.4 16.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.7808 0.3061 0.5447 -0.5063 0.2007 -0.8387 -0.3660 -0.9306 -0.0018 29 29 A N H <<5S- 0 0 77 -3,-2.3 -2,-0.2 -4,-0.6 -1,-0.2 0.000 108.9-119.8-102.9 -22.2 17.1 -11.7 16.5 18.1 -10.8 17.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.5105 0.8290 -0.2286 -0.8586 -0.5062 0.0816 -0.0481 0.2379 0.9701 30 30 A G T <5S+ 0 0 68 -4,-1.7 2,-0.3 1,-0.3 -3,-0.2 0.000 73.3 98.3 82.4 48.7 16.4 -10.3 13.0 14.9 -10.3 13.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.0113 0.8487 -0.5287 0.7236 -0.3719 -0.5814 -0.6901 -0.3760 -0.6184 31 31 A R S - 0 0 53 -2,-0.3 4,-2.0 1,-0.1 5,-0.1 0.000 38.0-112.5 -67.8 167.7 22.4 -7.1 11.1 22.9 -5.9 10.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.9446 -0.1684 0.2816 -0.1593 -0.9857 -0.0552 0.2868 0.0073 -0.9579 33 33 A V H > S+ 0 0 20 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.000 118.7 62.0 -65.7 -34.7 25.5 -7.8 13.1 26.8 -8.6 12.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.5506 0.5456 0.6318 -0.7367 -0.0385 0.6752 0.3927 -0.8372 0.3807 34 34 A N H > S+ 0 0 5 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.000 109.0 39.0 -56.3 -43.4 26.1 -4.1 13.0 26.1 -3.2 11.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.2624 0.7606 0.5939 0.6234 -0.3361 0.7060 0.7366 0.5555 -0.3859 35 35 A S H > S+ 0 0 21 2,-0.2 4,-3.5 1,-0.2 -1,-0.2 0.000 110.7 58.9 -76.9 -37.7 22.9 -3.4 15.0 21.5 -3.4 14.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.3729 -0.1089 0.9215 0.7106 0.6051 0.3591 -0.5966 0.7887 -0.1483 36 36 A E H X S+ 0 0 5 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.000 109.5 42.1 -58.0 -51.4 23.3 -6.4 17.3 23.4 -7.8 16.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.4864 -0.2012 0.8503 -0.6249 0.6000 0.4995 -0.6106 -0.7743 0.1661 37 37 A I H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.000 115.7 52.6 -59.4 -44.9 26.7 -5.2 18.6 28.0 -5.1 17.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.2838 0.7508 0.5964 -0.4401 -0.4506 0.7767 0.8519 -0.4829 0.2026 38 38 A Y H X S+ 0 0 51 -4,-1.5 4,-3.1 -5,-0.3 5,-0.3 0.000 108.7 48.3 -52.9 -56.9 25.3 -1.7 18.8 24.6 -1.1 17.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.5649 0.5257 0.6360 0.7785 0.0840 0.6220 0.2735 0.8465 -0.4567 39 39 A Q H X S+ 0 0 90 -4,-3.5 4,-1.6 1,-0.2 -1,-0.2 0.000 112.6 49.0 -55.5 -37.9 22.3 -2.7 20.8 21.2 -3.6 20.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.1752 -0.2986 0.9382 0.1650 0.9305 0.3269 -0.9706 0.2121 -0.1138 40 40 A R H X S+ 0 0 17 -4,-1.8 4,-1.4 -5,-0.2 -1,-0.2 0.000 113.3 45.7 -75.6 -37.9 24.4 -4.7 23.2 25.2 -6.0 23.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.5826 0.1580 0.7972 -0.7806 0.3817 0.4949 -0.2261 -0.9107 0.3457 41 41 A V H X S+ 0 0 1 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.000 113.3 49.0 -64.0 -54.4 26.9 -1.9 23.8 27.8 -1.3 22.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.0070 0.8584 0.5130 0.0100 -0.5129 0.8584 0.9999 0.0112 -0.0050 42 42 A M H X S+ 0 0 27 -4,-3.1 4,-2.4 1,-0.2 -2,-0.2 0.000 106.8 58.4 -54.3 -37.7 24.2 0.7 24.2 23.2 1.2 23.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.6541 0.2325 0.7198 0.7498 0.3250 0.5763 -0.0999 0.9167 -0.3869 43 43 A E H X S+ 0 0 68 -4,-1.6 4,-2.0 -5,-0.3 -1,-0.2 0.000 106.3 47.4 -59.0 -43.8 22.5 -1.6 26.6 22.0 -3.0 26.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.0879 -0.1593 0.9833 -0.3549 0.9173 0.1803 -0.9307 -0.3649 0.0241 44 44 A S H X S+ 0 0 0 -4,-1.4 4,-1.2 1,-0.2 -1,-0.2 0.000 109.8 52.3 -68.1 -32.5 25.5 -1.6 28.8 26.9 -2.3 28.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.4502 0.6185 0.6440 -0.8051 -0.0307 0.5923 0.3861 -0.7852 0.4841 45 45 A F H X>S+ 0 0 1 -4,-1.6 5,-2.4 2,-0.2 6,-0.6 0.000 106.6 55.0 -69.4 -36.4 25.9 2.1 28.6 26.0 3.0 27.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.4129 0.7823 0.4664 0.4399 -0.2772 0.8542 0.7975 0.5579 -0.2297 46 46 A K H ><5S+ 0 0 126 -4,-2.4 3,-1.0 1,-0.2 -2,-0.2 0.000 106.6 49.4 -62.5 -43.1 22.3 2.4 29.7 21.1 2.0 28.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.5005 -0.0379 0.8649 0.4428 0.8473 0.2933 -0.7439 0.5298 -0.4073 47 47 A K H 3<5S+ 0 0 100 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.000 109.4 51.4 -63.7 -37.9 22.9 0.3 32.8 23.2 -1.1 33.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.4059 0.1453 0.9023 -0.7232 0.6546 0.2200 -0.5587 -0.7419 0.3708 48 48 A E H 3<5S- 0 0 100 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.000 113.5-121.2 -73.9 -13.4 25.9 2.4 33.8 27.3 2.4 33.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.2174 0.8934 0.3932 -0.4390 -0.2703 0.8568 0.8718 -0.3589 0.3335 49 49 A G T <<5S+ 0 0 63 -3,-1.0 -3,-0.2 -4,-0.6 -2,-0.1 0.000 76.7 125.9 77.7 26.0 23.8 5.5 33.4 23.8 5.9 34.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.0827 0.9524 -0.2935 -0.5584 -0.1996 -0.8052 -0.8254 0.2305 0.5153 50 50 A R S 0 0 74 0, 0.0 3,-0.7 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 113.5 44.2 -8.6 23.2 42.9 -8.5 22.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.3022 -0.6977 -0.6495 0.4753 -0.4803 0.7372 -0.8263 -0.5315 0.1865 54 2 B K T 3 + 0 0 156 1,-0.2 0, 0.0 2,-0.1 0, 0.0 0.000 360.0 19.4 -79.5 147.0 47.0 -10.8 21.7 48.0 -11.7 22.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.2266 -0.5482 -0.8051 -0.0272 0.8227 -0.5678 0.9736 0.1506 0.1715 55 3 B G T > S+ 0 0 44 -2,-0.2 3,-1.9 1,-0.1 -1,-0.2 0.000 83.1 129.2 77.9 -2.5 46.9 -12.3 18.3 46.5 -13.7 18.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.5919 -0.0270 -0.8056 0.6882 0.5034 -0.5225 0.4196 -0.8636 -0.2794 56 4 B M G X + 0 0 58 -3,-0.7 3,-1.6 1,-0.3 -2,-0.1 0.000 54.2 73.5 -51.3 -35.2 44.3 -9.8 17.4 44.1 -8.5 18.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.3343 0.4335 -0.8369 -0.4422 -0.8563 -0.2668 -0.8323 0.2809 0.4780 57 5 B S G 3 S+ 0 0 89 1,-0.3 -1,-0.3 -45,-0.0 -3,-0.1 0.000 104.5 36.2 -57.4 -26.8 46.2 -8.7 14.3 47.7 -8.5 14.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.0171 -0.1779 -0.9839 -0.8869 0.4571 -0.0672 0.4617 0.8714 -0.1656 58 6 B K G < S+ 0 0 185 -3,-1.9 -1,-0.3 -46,-0.1 -2,-0.2 0.000 92.9 118.2-114.1 18.5 45.2 -11.9 12.5 46.3 -13.0 12.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.7079 -0.6381 -0.3028 -0.4523 0.7388 -0.4995 0.5425 -0.2166 -0.8117 59 7 B M S < S- 0 0 36 -3,-1.6 -4,-0.0 -4,-0.1 -3,-0.0 0.000 76.4 -90.1 -85.0 151.6 41.7 -12.3 13.9 41.3 -11.8 15.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.9550 -0.0143 -0.2961 0.1770 -0.8289 -0.5307 -0.2379 -0.5592 0.7942 60 8 B P - 0 0 37 0, 0.0 -47,-1.7 0, 0.0 2,-0.3 0.000 51.9-139.6 -53.0 152.6 38.6 -12.2 11.7 37.5 -13.2 11.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.6263 0.7478 -0.2202 0.6709 0.3732 -0.6408 -0.3970 -0.5491 -0.7355 61 9 B Q E -A 13 0A 97 -49,-0.2 2,-0.3 -3,-0.1 -49,-0.2 0.000 24.6-175.0-125.1 159.5 37.2 -8.7 11.3 38.2 -7.7 10.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.7437 0.6649 -0.0702 -0.3649 -0.3158 0.8758 0.5602 0.6769 0.4775 62 10 B F E -A 12 0A 45 -51,-1.7 -51,-2.8 -2,-0.3 2,-0.5 0.000 21.6-138.8-149.1 124.6 34.0 -6.8 11.3 32.9 -7.4 12.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.5331 0.8454 -0.0322 0.2526 0.1228 -0.9598 -0.8074 -0.5198 -0.2790 63 11 B N E -A 11 0A 47 -2,-0.3 2,-0.3 -53,-0.2 -53,-0.2 0.000 14.6-142.6 -90.2 130.6 33.6 -3.2 10.5 34.0 -2.5 9.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.5414 0.7988 0.2624 0.3231 -0.0904 0.9420 0.7762 0.5948 -0.2092 64 12 B L E -A 10 0A 0 -55,-2.8 -55,-1.6 -2,-0.5 2,-0.5 0.000 8.1-162.4 -86.4 141.1 31.2 -1.2 12.6 31.5 -0.8 14.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.6118 0.7824 -0.1167 -0.5848 -0.5466 -0.5993 -0.5327 -0.2984 0.7919 65 13 B R E +A 9 0A 79 -2,-0.3 -57,-0.2 -57,-0.2 -59,-0.1 0.000 33.6 146.1-125.0 89.6 29.2 1.5 10.9 28.7 1.3 9.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.6052 0.7910 0.0896 0.7160 0.4918 0.4954 0.3478 0.3640 -0.8640 66 14 B W - 0 0 0 -59,-0.9 2,-0.0 -2,-0.5 -2,-0.0 0.000 55.5 -77.8-121.3 168.2 27.9 3.7 13.6 28.4 3.3 15.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.2861 0.8944 0.3438 -0.7797 -0.0088 -0.6261 -0.5569 -0.4472 0.6999 67 15 B P >> - 0 0 32 0, 0.0 4,-1.8 0, 0.0 3,-0.5 0.000 41.7-123.7 -65.7 138.7 27.1 7.4 14.2 25.9 7.8 15.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.5251 0.8062 0.2725 0.4407 0.0162 -0.8975 -0.7280 0.5914 -0.3468 68 16 B R H 3> S+ 0 0 152 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.000 106.1 59.7 -52.0 -42.7 30.2 9.4 14.8 30.8 10.6 14.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.4636 0.2945 0.8357 0.2156 -0.9523 0.2160 0.8594 0.0800 -0.5049 69 17 B E H 3> S+ 0 0 137 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.000 106.0 43.7 -57.7 -45.0 28.9 10.7 18.1 27.6 11.5 18.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.0145 -0.2838 0.9588 0.9943 0.0972 0.0438 -0.1057 0.9539 0.2808 70 18 B V H <> S+ 0 0 22 -3,-0.5 4,-2.8 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4,-2.2 0, 0.0 3,-1.8 0.000 40.7-117.1 -76.6 145.8 51.7 9.7 34.7 50.3 10.2 34.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.2757 0.7919 0.5449 0.9112 -0.0347 -0.4106 -0.3062 0.6097 -0.7311 121 16 C R H 3> S+ 0 0 177 1,-0.3 4,-3.4 2,-0.2 5,-0.4 0.000 112.2 55.4 -43.8 -64.4 53.8 11.9 37.0 54.3 13.3 36.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.0651 0.2695 0.9608 0.3085 -0.9102 0.2762 0.9490 0.3144 -0.0239 122 17 C E H 3> S+ 0 0 141 1,-0.2 4,-0.8 2,-0.2 -1,-0.3 0.000 112.5 47.6 -46.2 -23.9 50.9 12.9 39.3 49.6 13.7 39.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.4991 -0.4524 0.7391 0.8098 0.0602 0.5836 -0.3085 0.8898 0.3364 123 18 C V H <> S+ 0 0 9 -3,-1.8 4,-3.5 2,-0.2 5,-0.2 0.000 113.6 40.5 -86.6 -56.4 50.4 9.3 39.8 49.8 8.3 38.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.3475 -0.7729 0.5309 -0.2169 0.4845 0.8474 -0.9122 -0.4096 0.0007 124 19 C L H X S+ 0 0 10 -4,-2.2 4,-3.2 1,-0.3 -2,-0.2 0.000 117.1 53.2 -51.8 -52.3 53.8 8.0 40.5 55.1 8.1 39.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.5939 0.1338 0.7934 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S+ 0 0 3 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.000 109.2 57.0 -84.0 -34.5 46.9 -0.5 32.8 46.1 -0.4 31.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.8526 -0.0483 0.5203 0.4139 0.5453 0.7289 -0.3190 0.8369 -0.4449 191 36 D E H X S+ 0 0 3 -4,-2.2 4,-2.8 2,-0.2 3,-0.5 0.000 112.9 41.3 -57.5 -56.8 45.6 -3.3 35.0 45.8 -4.8 34.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.1120 -0.0543 0.9922 -0.7092 0.7038 -0.0415 -0.6960 -0.7084 -0.1173 192 37 D I H X S+ 0 0 0 -4,-2.4 4,-3.3 1,-0.3 -2,-0.2 0.000 116.3 48.8 -54.1 -52.0 47.9 -2.3 37.8 49.4 -2.4 37.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.0776 0.7682 0.6355 -0.8248 -0.3087 0.4738 0.5602 -0.5609 0.6096 193 38 D Y H X S+ 0 0 38 -4,-1.6 4,-2.7 -5,-0.3 -1,-0.3 0.000 110.4 52.3 -58.3 -38.9 47.4 1.4 37.3 47.8 2.1 36.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.7297 0.6571 0.1891 0.1889 -0.0721 0.9793 0.6572 0.7503 -0.0715 194 39 D Q H X S+ 0 0 34 -4,-2.3 4,-2.8 -3,-0.5 -2,-0.2 0.000 111.9 45.0 -62.7 -49.6 43.7 0.9 37.2 42.9 -0.0 36.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 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-0.3634 0.7546 204 49 D G T < 5S+ 0 0 66 -3,-1.2 -3,-0.2 -4,-0.1 -2,-0.1 0.000 75.6 122.2 39.2 57.1 39.4 9.8 48.8 38.5 10.3 50.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.3597 0.9160 -0.1778 0.0056 -0.1926 -0.9813 -0.9331 0.3519 -0.0744 205 50 D R < + 0 0 92 -5,-1.2 -4,-0.1 -4,-0.1 -1,-0.1 0.000 39.2 70.1-106.1 -80.7 42.7 11.0 47.4 43.9 10.0 47.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.4958 0.6061 -0.6219 -0.3422 0.7946 0.5015 0.7981 -0.0358 0.6014 206 51 D I S S- 0 0 32 -9,-0.2 -84,-0.0 1,-0.1 -9,-0.0 0.000 108.2 -45.3 -45.2 158.8 42.9 11.7 43.7 42.9 10.7 42.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.4076 0.6580 -0.6332 0.5722 0.7245 0.3844 0.7117 -0.2056 -0.6718 207 52 D G 0 0 82 1,-0.1 -1,-0.1 -3,-0.0 -6,-0.0 0.000 360.0 360.0 19.3 -80.9 41.3 14.7 41.9 40.7 14.2 40.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.7950 0.5887 0.1464 0.5895 0.6926 0.4158 0.1434 0.4168 -0.8976 208 53 D A 0 0 161 0, 0.0 -1,-0.1 0, 0.0 -7,-0.0 0.000 360.0 360.0 67.4 360.0 37.8 14.6 43.5 38.0 14.6 45.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.7972 0.5971 0.0894 -0.4813 -0.5390 -0.6912 -0.3645 -0.5941 0.7171 printout DONE