HEADER LYASE 05-DEC-00 1HN0 . COMPND 2 MOLECULE: CHONDROITIN ABC LYASE I; . SOURCE 2 ORGANISM_SCIENTIFIC: PROTEUS VULGARIS; . AUTHOR W.HUANG,M.CYGLER . 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 . 971 # 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 25 A A 0 0 8 0, 0.0 2,-0.2 0, 0.0 15,-0.1 0.000 360.0 360.0 360.0 151.5 70.4 114.0 33.5 71.6 114.3 32.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.4099 0.5051 0.7595 -0.3428 -0.6863 0.6414 0.8453 -0.5232 -0.1082 2 26 A T - 0 0 42 2,-0.3 4,-0.0 1,-0.0 14,-0.0 0.000 360.0-101.1-127.6-179.2 70.8 115.9 36.8 70.1 115.3 38.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.5153 0.6002 0.6117 -0.0413 0.7304 -0.6818 -0.8560 0.3261 0.4012 3 27 A S S S+ 0 0 129 -2,-0.2 -1,-0.0 2,-0.0 0, 0.0 0.000 92.0 93.2 -80.1 -11.1 73.5 117.9 38.7 73.1 119.2 39.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.8154 -0.1052 0.5692 0.4921 -0.3918 -0.7774 0.3048 0.9140 -0.2677 4 28 A N S S- 0 0 59 1,-0.1 -2,-0.3 61,-0.1 3,-0.1 0.000 86.5 -95.4 -83.7 155.6 74.3 115.0 41.0 73.2 114.2 41.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.6349 -0.7682 0.0822 0.7615 0.6402 0.1007 -0.1300 -0.0013 0.9915 5 29 A P > - 0 0 25 0, 0.0 3,-0.5 0, 0.0 62,-0.3 0.000 46.9 -92.4 -63.7 154.9 77.1 112.5 40.4 78.1 112.2 41.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.0581 -0.9125 -0.4050 -0.1517 0.3929 -0.9070 0.9867 0.1141 -0.1156 6 30 A A B 3 S+a 67 0A 0 60,-2.7 62,-2.5 1,-0.2 9,-0.1 0.000 115.5 24.2 -64.2 137.7 76.4 109.2 38.6 77.1 108.7 37.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.1299 -0.9179 0.3750 -0.8908 0.2741 0.3624 -0.4355 -0.2870 -0.8533 7 31 A F T 3 S- 0 0 9 7,-0.5 -1,-0.2 159,-0.2 5,-0.2 0.000 90.1-174.2 70.6 53.7 75.6 106.6 41.3 76.9 105.7 41.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.0258 -0.0750 0.9968 -0.9996 -0.0109 0.0251 0.0090 -0.9971 -0.0753 8 32 A D B X -B 11 0B 23 3,-0.6 3,-2.6 -3,-0.5 6,-0.3 0.000 30.7-128.2 -95.2 134.0 74.6 109.2 44.0 74.0 110.5 43.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.3522 0.1795 0.9185 0.8149 -0.4240 0.3953 0.4604 0.8877 0.0031 9 33 A P T 3 S+ 0 0 108 0, 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-0.5206 0.0634 -0.8514 0.8535 0.0142 -0.5209 -0.0210 -0.9979 -0.0615 14 38 A Q S < S- 0 0 28 -3,-1.3 -7,-0.5 -6,-0.3 -6,-0.3 0.000 70.6-134.2 -88.9 114.1 68.8 106.1 40.0 68.4 107.4 40.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.1689 0.5037 -0.8472 -0.3255 -0.7828 -0.5303 -0.9303 0.3653 0.0318 15 39 A S - 0 0 1 -2,-0.7 2,-0.6 253,-0.5 259,-0.4 0.000 2.5-137.7 -68.9 142.7 70.4 106.2 36.5 69.8 105.4 35.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.4180 0.6559 -0.6285 0.7750 0.1034 0.6234 0.4739 -0.7477 -0.4651 16 40 A E E -C 166 0C 3 150,-1.6 150,-2.3 -2,-0.1 2,-0.5 0.000 29.3-171.6 -97.0 118.8 72.0 109.3 35.0 73.4 109.8 35.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.1163 0.4261 -0.8971 -0.9820 0.1848 -0.0395 0.1489 0.8856 0.4400 17 41 A I E -C 165 0C 0 -2,-0.6 2,-1.1 148,-0.2 148,-0.2 0.000 24.1-157.0-121.1 121.2 70.9 109.5 31.4 69.5 108.9 31.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.0052 0.4363 -0.8998 0.9750 -0.1977 -0.1015 -0.2222 -0.8778 -0.4244 18 42 A Y E +C 164 0C 8 146,-3.6 146,-1.5 -2,-0.5 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-0.5263 -0.1113 0.8430 23 47 A N S S+ 0 0 144 -2,-0.3 4,-0.1 1,-0.2 -3,-0.1 0.000 113.2 20.8 -87.4 152.1 67.7 122.3 28.9 66.9 123.4 29.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.8400 0.5425 0.0077 0.2268 -0.3381 -0.9134 -0.4929 0.7690 -0.4071 24 48 A N S > S- 0 0 130 -2,-0.1 3,-3.4 2,-0.1 4,-0.4 0.000 80.8-175.3 56.9 47.3 71.3 123.2 28.4 71.9 123.6 29.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.8020 -0.5613 -0.2044 -0.0439 0.2858 -0.9573 0.5957 0.7767 0.2045 25 49 A P T 3 S+ 0 0 50 0, 0.0 3,-0.3 0, 0.0 -5,-0.2 0.000 77.4 31.6 -49.5 -38.0 71.4 119.9 26.6 70.8 119.8 25.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.6577 -0.7416 -0.1319 -0.0986 -0.2583 0.9610 -0.7468 -0.6191 -0.2430 26 50 A L T > S+ 0 0 44 1,-0.2 3,-2.1 2,-0.1 -2,-0.1 0.000 81.2 117.7-108.2 20.3 75.2 120.0 26.0 75.7 120.3 24.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.9094 0.1855 0.3722 -0.1337 -0.7170 0.6841 0.3938 -0.6719 -0.6273 27 51 A A T < S+ 0 0 67 -3,-3.4 -1,-0.2 1,-0.3 -3,-0.1 0.000 81.8 46.5 -48.6 -45.6 76.1 122.0 29.2 75.2 122.2 30.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.7730 -0.0571 0.6318 0.5834 0.4552 -0.6726 -0.2492 0.8885 0.3852 28 52 A D T 3 S+ 0 0 53 -4,-0.4 36,-3.4 -3,-0.3 2,-0.4 0.000 102.5 88.3 -83.3 6.5 78.2 119.0 30.4 77.6 117.8 31.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.8145 -0.5302 -0.2358 0.5678 0.8118 0.1360 0.1193 -0.2446 0.9622 29 53 A F E < -H 63 0D 19 -3,-2.1 2,-0.4 34,-0.2 34,-0.2 0.000 49.4-177.7-113.4 132.3 79.8 118.7 26.9 78.9 118.2 25.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.6954 0.2916 -0.6568 0.7186 -0.2831 0.6351 -0.0007 -0.9137 -0.4064 30 54 A S E -H 62 0D 38 32,-1.9 32,-1.5 -2,-0.4 3,-0.2 0.000 6.7-168.3-127.2 111.9 82.9 120.4 25.6 83.9 120.9 26.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.6652 0.1022 -0.7396 -0.7326 0.2807 -0.6201 0.1443 0.9543 0.2616 31 55 A S + 0 0 43 -2,-0.4 29,-0.2 30,-0.2 -1,-0.1 0.000 37.4 136.3 -62.0 -55.1 83.8 119.6 22.0 83.1 120.3 20.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.7958 -0.2217 -0.5636 0.0851 -0.8804 0.4665 -0.5996 -0.4192 -0.6817 32 56 A D > + 0 0 136 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30.6-136.6 -69.4 139.9 62.7 102.5 20.0 63.5 103.1 21.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.2604 -0.9036 0.3403 0.0222 -0.3467 -0.9377 0.9653 0.2517 -0.0702 258 308 A L E +n 285 0F 0 25,-0.2 2,-0.3 -2,-0.1 27,-0.2 0.000 28.8 167.3-104.0 135.7 62.5 98.7 20.5 62.6 97.8 19.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.2194 -0.7743 0.5935 -0.6084 0.3670 0.7037 -0.7627 -0.5155 -0.3906 259 309 A I E -n 286 0F 4 25,-2.4 27,-2.7 -2,-0.4 28,-0.2 0.000 29.5-122.7-146.0 141.1 63.6 97.0 23.7 63.6 98.1 24.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.0511 -0.7447 0.6654 0.5674 -0.5266 -0.6330 0.8218 0.4099 0.3957 260 310 A T > - 0 0 2 -2,-0.3 4,-1.5 25,-0.2 80,-0.1 0.000 30.3-110.0 -81.7 158.7 63.2 93.5 25.1 64.1 92.3 25.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.3804 -0.4286 0.8195 -0.9057 0.3517 -0.2365 -0.1869 -0.8322 -0.5220 261 311 A D T 4 S+ 0 0 54 1,-0.2 4,-0.2 2,-0.2 -1,-0.1 0.000 121.0 43.0 -52.3 -29.0 61.6 92.8 28.4 60.5 91.6 28.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.3244 -0.1008 0.9405 0.1051 0.9920 0.0701 -0.9401 0.0761 0.3324 262 312 A K T >4 S+ 0 0 69 76,-0.2 3,-1.2 2,-0.1 4,-0.3 0.000 104.6 62.4 -91.3 -31.9 65.0 91.8 29.8 65.7 90.5 29.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.8719 0.3828 0.3053 -0.4728 0.4964 0.7280 0.1271 -0.7791 0.6139 263 313 A Q G >4 S+ 0 0 14 1,-0.2 3,-1.5 2,-0.2 4,-0.3 0.000 88.2 72.5 -60.6 -33.5 67.0 94.6 28.3 66.9 95.1 26.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.2348 0.9300 0.2829 0.6050 -0.3676 0.7063 0.7608 0.0053 -0.6490 264 314 A I G >X S+ 0 0 40 -4,-1.5 3,-1.9 1,-0.3 4,-0.6 0.000 78.3 78.9 -55.5 -25.9 64.9 97.2 30.3 63.3 97.2 30.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.1121 0.4990 0.8593 0.7453 0.5297 -0.4049 -0.6572 0.6858 -0.3125 265 315 A I G X4 S+ 0 0 38 -3,-1.2 3,-1.5 1,-0.3 -1,-0.3 0.000 79.5 67.8 -54.0 -37.5 66.8 96.0 33.5 67.3 94.6 33.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.7334 0.3535 0.5807 -0.6136 0.7118 0.3417 -0.2926 -0.6069 0.7389 266 316 A I G <4 S+ 0 0 13 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.000 99.7 49.6 -54.6 -31.3 69.8 98.2 32.6 70.5 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321 A N G < S+ 0 0 72 -3,-2.6 -1,-0.3-259,-0.2 2,-0.1 0.000 84.6 120.6-110.2 6.5 64.3 103.9 40.1 65.5 103.3 40.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.4542 0.8868 -0.0849 -0.8558 0.4608 0.2351 0.2476 -0.0341 0.9683 272 322 A L S < S- 0 0 17 -3,-1.7 2,-0.1 -4,-0.3-259,-0.1 0.000 70.1-108.5 -68.3 145.9 64.3 106.3 37.1 63.8 106.0 35.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.1737 0.9751 -0.1380 0.8185 0.2209 0.5304 0.5476 -0.0208 -0.8364 273 323 A N >> - 0 0 22 -259,-0.4 4,-2.3 -2,-0.1 3,-0.7 0.000 36.8-104.1 -67.4 154.7 63.6 110.0 37.7 64.6 111.2 37.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.7320 0.6161 -0.2908 -0.6419 -0.4807 0.5974 0.2283 0.6240 0.7473 274 324 A S H 3> S+ 0 0 109 1,-0.3 4,-1.8 2,-0.2 5,-0.2 0.000 119.9 55.1 -57.1 -39.2 60.2 111.2 36.4 59.3 112.1 37.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.4470 0.2317 -0.8640 0.0959 -0.9479 -0.3038 -0.8894 -0.2187 0.4014 275 325 A Q H 3> S+ 0 0 84 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.000 113.9 43.0 -58.0 -43.4 61.6 113.0 33.3 62.7 114.1 33.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.3083 -0.3063 -0.9006 -0.9482 -0.1752 -0.2650 -0.0767 0.9357 -0.3444 276 326 A D H <> S+ 0 0 0 -3,-0.7 4,-1.5 2,-0.2 -2,-0.2 0.000 109.2 55.5 -71.5 -44.3 63.4 109.7 32.3 64.6 109.1 33.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.2329 -0.9005 -0.3672 -0.2798 0.4237 -0.8615 0.9314 -0.0979 -0.3506 277 327 A K H X S+ 0 0 71 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.000 106.0 51.8 -59.0 -39.9 60.5 107.4 33.1 59.8 107.2 34.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.8314 -0.3022 -0.4663 0.5553 -0.4828 -0.6772 -0.0204 -0.8220 0.5692 278 328 A Q H < S+ 0 0 161 -4,-1.8 -1,-0.2 1,-0.2 4,-0.2 0.000 113.2 44.8 -63.6 -39.3 58.1 109.3 30.8 57.8 110.8 31.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.1473 0.0712 -0.9865 -0.3878 -0.9217 -0.0086 -0.9099 0.3813 0.1634 279 329 A L H < S+ 0 0 44 -4,-1.1-233,-0.4 1,-0.2 3,-0.3 0.000 112.5 52.9 -76.1 -20.7 60.6 109.1 28.0 61.9 109.9 27.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.3856 -0.6931 -0.6090 -0.8930 -0.1145 -0.4352 0.2319 0.7117 -0.6631 280 330 A F H >< S+ 0 0 19 -4,-1.5 3,-1.4 1,-0.2 -2,-0.2 0.000 98.0 64.6 -84.6 -28.4 61.2 105.4 28.8 61.8 105.0 30.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.4149 -0.8971 -0.1521 0.1964 0.0749 -0.9777 0.8884 -0.4355 0.1451 281 331 A D T 3< S+ 0 0 95 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.000 90.5 66.0 -74.8 -7.1 57.5 104.7 28.6 56.4 105.2 29.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.6972 -0.2000 -0.6884 0.4766 -0.8467 -0.2367 -0.5355 -0.4931 0.6856 282 332 A N T 3 S+ 0 0 95 -3,-0.3 -25,-0.3 -4,-0.2 -1,-0.3 0.000 79.3 106.3 -95.6 11.1 57.5 105.5 24.8 57.7 106.9 24.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.2194 -0.3862 -0.8959 -0.6976 -0.7041 0.1327 -0.6821 0.5959 -0.4239 283 333 A Y S < S- 0 0 18 -3,-1.4 2,-0.5 -27,-0.1 -25,-0.2 0.000 70.9-129.0 -77.8 155.1 59.7 102.5 24.1 60.8 101.9 25.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.1368 -0.8942 -0.4262 -0.1128 0.4416 -0.8901 0.9842 -0.0737 -0.1612 284 334 A V E -n 259 0F 13 -27,-3.6 -25,-2.4 -2,-0.2 2,-0.4 0.000 17.0-124.7-108.1 134.1 58.1 99.5 22.4 57.7 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0.0 -0.8629 0.3008 -0.4062 0.2181 -0.5036 -0.8360 -0.4560 -0.8099 0.3689 303 353 A E << - 0 0 38 -4,-1.3 6,-0.0 -3,-0.5 -3,-0.0 0.000 36.7-176.4 -73.4 122.8 44.2 88.1 2.5 45.1 89.3 2.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.4641 0.3761 -0.8020 -0.8544 -0.4288 0.2934 -0.2335 0.8214 0.5203 304 354 A K + 0 0 205 -2,-0.3 -1,-0.2 1,-0.1 -4,-0.0 0.000 64.0 84.0 -81.6 -35.0 41.9 87.7 -0.6 40.4 87.3 -0.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.1898 0.4326 -0.8814 0.8956 -0.2915 -0.3360 -0.4023 -0.8531 -0.3322 305 355 A D S > S- 0 0 80 1,-0.1 4,-3.0 2,-0.0 5,-0.3 0.000 70.0-150.9 -78.7 111.9 41.9 91.5 -1.5 41.2 92.6 -0.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.5758 0.6984 -0.4250 -0.0475 -0.4904 -0.8702 -0.8162 0.5213 -0.2491 306 356 A P H > S+ 0 0 98 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.000 95.2 48.1 -54.9 -36.1 45.0 92.2 -3.6 44.9 92.3 -5.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.7699 0.6377 0.0253 0.3756 -0.4847 0.7899 0.5160 -0.5987 -0.6127 307 357 A T H > S+ 0 0 95 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.000 115.1 44.2 -69.7 -46.6 45.2 95.9 -2.4 44.2 97.0 -2.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.3209 0.4634 0.8260 0.9356 -0.2904 -0.2006 0.1469 0.8372 -0.5268 308 358 A Q H > S+ 0 0 47 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.000 112.2 54.1 -64.0 -38.5 44.9 94.9 1.3 43.6 94.3 2.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.5638 -0.4594 0.6863 0.6186 0.7855 0.0177 -0.5473 0.4145 0.7271 309 359 A K H X S+ 0 0 64 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.000 108.6 48.9 -61.6 -39.9 47.3 92.0 0.8 47.2 90.9 -0.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.9952 -0.0789 -0.0572 0.0724 0.2058 0.9759 -0.0652 -0.9754 0.2105 310 360 A A H X S+ 0 0 63 -4,-1.7 4,-1.9 -5,-0.3 -2,-0.2 0.000 108.5 52.8 -72.4 -32.3 49.9 94.5 -0.6 49.8 95.2 -2.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.6268 0.7004 0.3414 0.5070 -0.6993 0.5040 0.5917 -0.1428 -0.7934 311 361 A Q H X S+ 0 0 75 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.000 108.5 51.4 -62.9 -44.0 49.4 96.9 2.3 48.1 97.4 2.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.3553 0.0228 0.9345 0.9045 0.2440 -0.3498 -0.2360 0.9695 0.0660 312 362 A L H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.000 108.3 51.3 -62.1 -42.3 50.1 94.0 4.7 49.2 92.7 4.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.7983 -0.4959 0.3417 0.2887 0.8131 0.5055 -0.5285 -0.3049 0.7923 313 363 A K H X S+ 0 0 79 -4,-1.9 4,-2.6 1,-0.2 5,-0.2 0.000 110.1 49.0 -57.6 -49.8 53.3 93.1 2.9 53.4 92.7 1.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.9304 0.3665 0.0008 0.1431 -0.3654 0.9198 0.3374 -0.8557 -0.3924 314 364 A Q H X S+ 0 0 95 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.000 109.7 51.4 -59.3 -40.8 54.5 96.7 3.1 53.8 97.9 2.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.3805 0.5914 0.7110 0.8407 -0.5414 0.0004 0.3852 0.5976 -0.7032 315 365 A M H X S+ 0 0 5 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.000 112.6 46.5 -64.8 -47.1 53.7 96.9 6.9 52.4 96.7 7.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.4645 -0.2997 0.8333 0.7274 0.6658 -0.1661 -0.5050 0.6833 0.5273 316 366 A Y H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.000 113.2 48.1 -59.2 -45.2 55.7 93.7 7.5 55.4 92.3 7.0 0 0.0 0 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< + 0 0 1 -3,-2.3 -1,-0.2 1,-0.3 -2,-0.1 0.000 69.3 70.1 -75.6 -11.3 69.0 67.2 24.2 69.6 66.5 22.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.8888 0.0261 -0.4576 -0.1886 0.8892 0.4168 0.4178 0.4568 -0.7854 391 441 A S T 3 + 0 0 2 49,-0.4 -1,-0.3 -3,-0.3 -2,-0.1 0.000 68.0 156.4 -91.5 14.0 65.7 65.8 25.3 65.6 64.3 25.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.8870 0.2483 0.3892 -0.1891 0.5737 -0.7970 -0.4212 -0.7805 -0.4619 392 442 A D <> - 0 0 50 -3,-1.2 4,-1.2 1,-0.2 58,-0.1 0.000 34.4-154.5 -35.2 115.4 64.9 69.1 27.1 65.8 70.3 26.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.8270 0.5543 0.0943 -0.2810 -0.5527 0.7846 0.4870 0.6224 0.6128 393 443 A L H > S+ 0 0 6 56,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.000 91.8 56.8 -77.0 -26.5 61.1 69.2 27.4 60.2 68.7 28.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.7600 0.6089 -0.2271 0.2154 -0.0936 -0.9720 -0.6131 -0.7877 -0.0601 394 444 A D H > S+ 0 0 40 1,-0.2 4,-3.1 2,-0.2 5,-0.4 0.000 101.3 57.4 -73.6 -38.0 61.0 73.0 27.5 61.6 73.9 28.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 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-3,-0.2 0.000 88.1 91.4-135.7 -20.3 61.9 76.6 20.6 63.3 76.5 21.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.4509 -0.2657 -0.8521 -0.6039 0.6121 -0.5105 0.6572 0.7448 0.1155 400 450 A S H > S+ 0 0 4 -5,-0.3 4,-2.4 -4,-0.2 -1,-0.2 0.000 114.7 54.2 -74.9 -30.1 59.5 75.1 15.7 58.0 75.4 15.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.1182 0.6860 -0.7179 0.6919 -0.5755 -0.4360 -0.7123 -0.4452 -0.5427 402 452 A Q H > S+ 0 0 2 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.000 106.6 51.9 -65.5 -40.4 61.5 78.3 15.9 61.7 79.1 17.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.8780 0.3095 -0.3651 -0.3874 0.0115 -0.9219 -0.2811 0.9508 0.1300 403 453 A H H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.000 111.6 46.4 -59.5 -52.1 64.7 76.2 15.4 65.0 75.0 16.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.4448 -0.4213 -0.7904 0.3125 0.9000 -0.3039 0.8394 -0.1118 0.5319 404 454 A L H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.000 110.9 53.0 -55.9 -46.8 63.2 74.6 12.2 62.0 73.6 12.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.2100 0.3266 -0.9216 0.9768 0.0295 -0.2121 -0.0421 -0.9447 -0.3252 405 455 A A H X S+ 0 0 0 -4,-2.4 4,-0.8 1,-0.2 -2,-0.2 0.000 108.2 50.6 -57.0 -44.8 62.0 78.0 11.0 61.1 79.0 11.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.4372 0.7675 -0.4689 0.0856 -0.5545 -0.8277 -0.8953 0.3217 -0.3082 406 456 A L H >< S+ 0 0 0 -4,-2.5 3,-1.0 1,-0.2 4,-0.5 0.000 110.6 48.7 -55.8 -51.9 65.5 79.4 11.3 66.4 79.4 12.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.8335 -0.0919 -0.5448 -0.3909 0.5988 -0.6991 0.3905 0.7956 0.4632 407 457 A L H >< S+ 0 0 0 -4,-2.2 3,-1.4 1,-0.3 -1,-0.2 0.000 107.7 54.6 -57.1 -42.6 67.0 76.4 9.4 67.0 74.9 9.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.0343 -0.2549 -0.9664 0.6343 0.7528 -0.1760 0.7723 -0.6069 0.1875 408 458 A L H 3< S+ 0 0 1 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.000 101.5 61.0 -68.4 -15.5 64.5 76.8 6.6 63.0 76.6 6.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.1534 0.5895 -0.7931 0.8242 -0.3664 -0.4317 -0.5451 -0.7199 -0.4297 409 459 A L T << S+ 0 0 3 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.000 72.5 119.0 -89.4 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414 464 A Q H > S+ 0 0 58 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.000 115.6 47.2 -63.1 -45.2 72.7 72.6 -0.1 74.1 72.4 -0.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.3448 -0.4300 0.8344 -0.8793 -0.4591 0.1268 0.3286 -0.7774 -0.5364 415 465 A K H > S+ 0 0 123 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.000 110.8 52.4 -61.9 -42.9 73.3 74.1 3.4 73.8 75.5 3.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.5108 0.0154 0.8596 0.1924 -0.9724 0.1318 0.8379 0.2327 0.4937 416 466 A R H X S+ 0 0 14 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.000 111.5 46.5 -60.4 -45.1 69.5 74.3 4.0 68.4 75.0 3.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.6876 -0.6652 0.2910 0.4332 -0.0542 0.8997 -0.5827 0.7447 0.3254 417 467 A I H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.3 0.000 112.2 50.5 -63.3 -45.0 69.2 70.6 3.1 69.3 70.0 1.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.2445 -0.8643 0.4395 -0.6734 0.1748 0.7183 -0.6977 -0.4716 -0.5393 418 468 A N H X S+ 0 0 20 -4,-2.6 4,-2.4 1,-0.2-225,-0.4 0.000 112.5 48.1 -53.2 -48.2 72.2 69.7 5.3 73.6 70.3 5.2 0 0.0 0 0.0 0 0.0 0 0.0 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