NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 S 4.4691 8.3193 115.4146 58.3369 64.5290 171.5241 -1 N 4.9043 8.1163 116.1527 50.7517 40.4067 174.1839 0 A 4.2534 8.5163 119.4340 52.1378 18.7213 180.8802 0 L 4.2734 8.4363 117.4340 54.7378 42.0213 180.6802 3 L 4.1654 8.1372 118.3833 58.0042 41.4683 179.2324 4 S 4.0572 8.4429 112.4927 61.6086 62.0714 175.8748 5 K 4.4259 8.0175 119.0777 57.8405 31.8133 178.6117 6 K 3.6006 7.6517 120.3974 58.4607 31.9938 177.6888 7 S 4.4535 7.5400 111.9289 58.7942 63.3963 174.1613 8 E 4.2834 8.1338 121.9603 57.1071 31.1678 175.6718 9 Y 4.9389 7.6346 113.3916 55.8954 41.7881 175.9267 10 K 4.5662 9.1800 122.1333 56.2606 33.9794 175.8110 11 T 5.2081 8.3159 110.8357 59.8418 71.3833 174.0436 12 L 4.5858 7.9254 123.3544 54.4788 42.5689 177.3935 13 S 4.3100 9.2414 118.1759 58.7622 63.3531 175.1026 14 T 4.0970 8.2478 113.8652 61.8737 69.2204 174.8932 15 V 4.1775 7.7669 122.5396 61.6743 32.5754 174.2971 16 E 4.1846 8.7253 127.7543 58.8250 29.7894 177.4374 17 H 4.9563 7.6025 114.8072 52.9018 29.1561 170.6424 18 P 4.5935 0.0000 0.0000 62.2251 32.5073 177.5619 19 Q 4.0508 8.2370 119.5263 58.8678 29.1580 176.3959 20 Y 5.0187 8.7251 115.3812 56.1209 42.6986 174.5220 21 I 4.8553 8.3665 121.6377 59.4971 40.5539 174.7117 22 V 4.6956 8.6292 127.2652 61.3132 33.7712 174.1922 23 F 5.1640 9.7366 128.3260 56.3803 40.8308 174.6755 24 C 5.5790 9.0462 122.3130 57.6650 30.6815 173.3538 25 D 4.7177 9.2326 123.7689 54.3997 41.7756 175.5919 26 F 4.3417 9.2127 125.9634 60.0157 40.1370 174.5761 27 D 4.6143 8.1302 118.0001 55.7591 41.2734 176.8433 28 E 4.1352 9.2160 122.8436 57.2686 27.0251 174.5541 29 T 4.5017 6.7130 111.8451 64.9750 71.9066 174.6519 30 Y 3.8553 8.0249 127.6692 59.3076 39.6956 175.5514 31 F 4.6306 7.9429 122.6967 55.0763 40.0884 172.3753 32 P 4.1328 0.0000 0.0000 62.3469 31.7419 176.6643 33 H 3.9532 9.0956 119.1322 57.9140 28.9064 176.0048 34 T 4.3378 7.3345 115.0259 61.3997 71.0629 173.1281 35 I 4.0699 7.9350 126.7596 59.0261 38.6724 175.6348 36 D 4.5387 8.2005 125.6653 53.6954 42.8668 177.0575 37 E 3.8676 8.4995 120.0700 59.5413 29.5665 178.3435 38 Q 3.9085 7.9324 119.0670 59.2407 29.2227 178.2161 39 K 3.9922 7.8969 118.9726 59.4054 32.1348 178.8593 40 Q 3.6378 7.8659 119.8280 59.2575 28.9088 178.5145 41 Q 4.0757 7.7922 118.5833 58.8826 28.6671 178.3813 42 D 4.2863 7.9053 120.1946 57.0618 40.7810 178.6435 43 I 3.3403 7.5417 120.4588 64.6572 37.0381 178.0993 44 Y 4.6996 7.3875 116.9127 60.9804 37.5602 178.1580 45 E 3.9545 8.4243 120.4702 59.0791 29.8050 178.5403 46 L 3.8777 7.9428 120.3843 58.1857 42.0724 178.4463 47 E 3.8581 8.0763 118.4383 59.9046 29.6070 179.1607 48 D 4.3530 8.3024 118.5126 57.6274 40.7892 178.2659 49 Y 3.9440 8.3075 120.0181 60.7640 38.8891 177.9310 50 L 3.9170 8.6790 120.0790 57.9882 41.7075 179.4258 51 E 3.7853 8.3288 119.4317 59.0082 29.5483 178.6123 52 Q 3.8681 7.7524 119.1133 59.2715 29.1081 178.4796 53 K 3.8450 7.8763 119.4906 59.3183 31.9236 179.6352 54 S 4.0851 8.0289 115.5594 61.5154 62.5665 176.5808 55 K 3.9106 8.0582 120.2386 59.7006 31.9699 178.3639 56 D 4.6438 8.0258 115.6907 54.2874 41.2936 177.3247 57 G 3.9312 7.9364 108.4899 45.9337 0.0000 175.3874 58 E 4.4038 8.5052 122.1771 58.5133 30.4673 176.8606 59 L 5.8965 7.9474 116.6126 53.7052 43.8116 175.4901 60 I 4.3917 8.1716 113.7393 59.2369 40.4640 173.9258 61 I 4.8715 8.5383 124.2001 59.2268 41.0946 174.1669 62 G 2.9408 8.2585 114.5876 43.7236 0.0000 171.3493 63 W 5.3948 8.0116 121.6123 55.4608 31.1546 175.7194 64 V 4.8582 9.3010 124.1974 61.5661 33.3848 174.1603 65 T 4.7426 9.1129 122.4810 60.2298 70.9354 174.8291 66 G 3.7961 8.8730 112.9996 48.8990 0.0000 173.9688 67 S 4.9111 8.8402 117.6200 57.9853 64.6060 174.4012 68 S 4.9505 8.4755 115.8922 57.8312 64.2011 175.3838 69 I 3.6880 8.4918 122.3533 64.4756 36.9346 178.0657 70 E 3.9406 8.2976 117.9809 59.9019 28.9215 179.0405 71 S 4.1541 7.5680 113.9050 60.9841 62.1940 176.2299 72 I 3.3649 7.2340 120.8275 63.9755 36.7844 178.0933 73 L 4.0326 7.9133 119.7660 57.9049 41.7915 179.1880 74 D 4.5078 7.9142 118.1789 55.7390 39.2915 178.0293 75 K 4.0493 7.5016 120.0219 56.4373 32.3783 179.1574 *77 G 3.9574 8.1105 110.1799 45.7606 0.0000 176.1079 78 R 3.8926 8.1733 118.5841 58.9126 30.0582 177.9081 79 G 3.8701 8.0332 103.4856 44.8291 0.0000 173.3009 80 K 3.9815 7.5918 118.2899 57.4722 30.1420 175.3050 81 F 5.0434 8.1491 115.4725 58.0334 40.2637 176.3198 82 R 4.7390 10.2183 121.6539 56.6562 31.9149 175.5620 83 Y 5.3354 8.3257 115.8426 56.0310 41.2181 175.5004 84 F 4.0670 9.2768 122.8026 56.4339 40.5740 174.0859 85 P 4.4621 0.0000 0.0000 62.0066 32.7542 175.7572 86 H 4.6593 8.6064 114.9977 58.6206 29.6215 175.9250 87 F 5.4921 7.5807 111.0250 55.3820 42.0467 173.5842 88 I 5.0543 8.7650 119.6254 59.5584 40.6650 174.3575 89 A 5.0677 9.1912 130.1239 50.9369 20.5280 176.2313 90 S 5.2917 8.5922 117.0473 55.3979 67.7008 173.1309 91 D 4.2218 9.3988 116.2505 55.8459 38.3290 174.1767 92 L 3.7412 8.5582 110.3894 56.1715 39.7983 176.4607 93 G 4.0894 8.3724 103.8019 46.7547 0.0000 175.4280 94 T 4.4116 7.6989 108.7223 62.2523 69.6333 174.5936 95 E 4.9150 7.9856 121.6643 54.6700 34.1134 174.2709 96 I 4.7375 8.3160 123.3941 59.7287 40.4185 174.4746 97 T 4.6936 8.4342 123.1625 61.7733 72.0657 172.7013 98 Y 4.9906 8.1466 122.9996 56.4413 40.7333 175.0276 99 F 4.4454 8.9466 121.4124 55.8436 41.4008 174.2969 100 S 4.7484 8.4551 117.1735 56.8063 65.9648 174.0098 101 E 4.1923 8.9663 120.3847 59.6917 29.5390 177.6017 102 H 4.6132 8.1678 114.5023 57.9935 29.4812 175.1964 103 N 5.0950 8.0148 116.5374 52.2736 39.2494 174.4757 104 F 4.0304 8.3739 120.5213 59.6703 39.9514 174.6120 105 G 3.5191 7.5003 115.8630 45.5130 0.0000 172.6119 106 Q 4.0440 7.6171 122.2364 55.6157 29.7936 175.4483 107 Q 4.3501 8.6230 128.5161 56.0230 30.3376 175.1892 108 D 4.6778 9.0930 126.5076 54.2485 41.3285 176.5234 109 N 4.4574 9.0262 125.4168 56.1249 38.6512 177.2538 110 K 4.0376 8.3114 120.7790 59.2161 32.3944 178.5560 111 W 3.8114 8.6871 128.8030 60.2072 30.0661 177.2486 112 N 4.1800 8.0905 116.6692 57.1138 38.1151 176.9984 113 S 4.1428 8.1494 115.2838 61.4446 63.2210 176.5734 114 R 3.9272 7.8838 121.0877 59.2690 29.6731 179.0381 115 I 3.5850 7.0365 110.7740 62.9973 37.7425 177.1250 116 N 4.6959 7.8479 120.2058 56.2840 38.3109 177.0347 117 E 4.1419 7.8816 119.1998 60.7420 29.7363 182.4948 118 G 4.1644 7.6492 106.5706 45.1084 0.0000 173.0465 119 F 4.8223 7.9244 122.4264 55.9713 40.5102 174.9600 120 S 4.6175 7.7453 123.2005 55.6079 67.8554 174.9125 121 K 3.8036 8.3470 126.4689 60.3072 32.1240 179.6995 122 E 3.9958 7.9648 118.0704 60.4593 29.8104 181.2556 123 K 4.1954 7.7261 118.5461 59.5641 32.3554 179.0212 124 V 3.0943 7.2799 118.0805 65.7448 31.3253 177.9284 125 E 3.7644 7.9613 118.3686 58.9947 29.2839 179.0470 126 K 3.8100 7.7282 119.5444 59.5979 32.0696 178.8384 127 L 3.6923 7.0252 117.9814 58.1872 40.5091 179.0026 128 V 3.6523 7.7436 121.9009 66.5314 31.0331 178.6827 129 K 3.8865 8.1947 123.6704 59.8804 31.2997 180.5777 130 Q 4.1939 8.2003 119.3397 57.7779 29.7779 176.7432 131 L 4.4255 7.4529 121.1466 54.3543 40.3966 176.9927 132 H 4.3616 7.8621 117.8090 60.0195 29.9373 178.1983 133 E 2.8971 7.8035 111.3023 59.2195 29.6498 179.1228 *173 K 4.6863 8.8286 123.5984 55.1989 35.2716 180.5468 174 I 4.0207 7.6911 119.0494 63.8481 37.9261 177.5161 175 C 4.2755 8.2218 117.3819 62.7709 27.8335 175.2139 176 E 3.9866 8.3620 120.3092 59.7617 28.9446 178.8048 177 E 4.1124 7.8057 115.6949 59.1168 29.5927 178.0569 178 Y 4.2869 7.9314 114.0107 57.0807 38.5476 175.3775 179 G 3.9286 7.9915 107.7741 46.8320 0.0000 173.2944 180 V 4.8024 7.8629 112.6590 60.3111 36.2660 175.3263 181 S 4.4637 9.0995 114.2525 58.0730 66.1268 173.7514 *201 D 4.3013 8.6850 123.6016 53.9904 42.3639 174.0966 202 F 4.7024 8.7600 121.0233 56.6450 40.1391 175.3681 203 I 4.3754 8.0585 123.2056 58.3034 41.0595 173.2596 204 P 4.3374 0.0000 0.0000 62.7754 31.3517 176.6323 205 I 4.0867 7.8264 120.5769 61.9350 38.4220 176.2670 206 G 4.1259 7.7566 108.8090 45.9383 0.0000 173.8895 207 T 4.7558 7.8569 107.4120 60.7818 69.6708 174.4152 208 G 3.7689 8.0585 111.5224 45.5301 0.0000 175.0530 209 K 3.9015 8.8158 120.3576 59.4655 32.0412 179.3080 210 N 4.3169 8.1184 116.7824 55.9761 37.2034 177.0643 211 E 4.1321 8.3562 120.8604 58.9477 29.4260 178.9403 212 I 3.1657 7.7718 118.5811 64.3547 37.2517 177.8323 213 V 3.2151 7.2519 117.1779 66.3450 31.5046 177.8415 214 T 4.1068 7.7533 114.7295 66.5091 68.2689 176.4112 215 F 3.9375 8.5621 119.3442 59.8393 39.3277 176.3010 *217 L 4.4355 7.8037 118.5410 54.8706 43.7435 179.0100 218 E 3.9249 8.0945 117.8435 58.8687 29.7115 179.2491 219 K 3.6339 7.7477 119.7514 58.9612 32.1431 177.0093 220 Y 4.2902 7.7503 112.7221 56.8522 38.7741 174.5625 221 N 4.1392 7.4000 116.6406 55.0154 37.5834 173.6441 222 L 4.8527 8.1208 117.1326 52.8614 45.4226 177.1279 223 N 4.6632 8.4420 119.2254 52.9383 39.5824 176.3089 224 T 4.1140 8.7352 118.1040 67.1719 68.6364 175.8582 225 E 4.1508 8.1812 118.3679 58.1870 29.8509 177.4035 226 R 4.3387 8.5104 117.6022 55.9282 31.1779 175.2774 227 A 5.1296 8.1214 122.0193 51.0416 20.5914 176.5112 228 I 5.1247 9.1417 122.7442 59.4684 40.9326 174.6492 229 A 5.4203 9.0384 127.0085 50.3958 23.2160 174.9775 230 F 5.4663 9.2265 117.7107 56.2127 43.5304 174.3763 231 G 4.7705 9.2920 110.1434 44.7132 0.0000 171.9799 232 D 5.1178 9.7706 115.9399 52.6600 41.7280 175.0905 233 S 4.9377 8.0944 113.3102 57.0858 66.3271 175.1225 234 G 3.5972 8.6446 109.0390 48.4744 0.0000 174.9121 235 N 4.6535 8.1804 114.2682 53.6346 37.2436 174.9930 236 D 4.8016 7.8597 118.4575 54.8975 42.6759 177.8946 237 V 3.6856 7.7541 119.4118 65.9433 31.6616 179.0695 238 R 4.0947 7.7768 118.0797 56.2179 29.1145 178.2675 *240 L 4.2217 7.9942 119.6467 54.7263 43.5423 179.0124 241 Q 4.1457 7.7968 116.2265 57.8326 29.1024 177.2231 242 T 4.1279 7.4445 114.3362 65.6392 68.9189 175.8898 243 V 4.0373 7.4585 113.2236 60.7332 32.4563 176.1450 244 G 3.7721 8.5259 107.9025 48.3726 0.0000 173.9383 245 N 5.0176 8.4644 117.5625 50.8842 39.9497 171.8220 246 G 4.4817 8.0515 107.7339 43.5408 0.0000 169.4969 247 Y 5.0322 8.7917 122.6165 56.0191 41.5633 175.2005 248 L 4.7591 9.0686 124.7371 54.7232 43.2153 176.6927 249 L 4.7985 8.4906 122.2634 52.9170 42.9335 178.0453 250 K 3.7897 8.6083 122.2416 59.5173 32.2090 177.4494 251 N 4.4013 7.7205 112.8320 52.8745 37.3616 174.9614 252 A 4.2621 7.7448 122.7701 52.3452 19.0336 177.7519 253 T 4.0799 8.0106 110.2322 61.4618 69.5406 175.4194 254 Q 3.9599 8.4973 122.1952 59.0536 28.9714 177.6999 255 E 3.9175 8.1329 120.0409 58.8281 29.7477 178.2343 256 A 3.9797 8.0225 120.9280 55.2831 18.2564 179.7877 257 K 4.0583 7.5720 115.5394 59.6945 32.1821 178.9075 258 N 4.4565 8.2420 116.0601 56.5124 38.5499 177.1188 259 L 4.2391 7.8080 119.1931 55.8703 42.0614 177.0015 260 H 4.8337 7.9165 117.6189 54.1996 32.4295 172.6333 261 N 4.3077 8.5175 124.8155 55.5014 39.3869 174.2143 262 L 4.2444 7.3236 120.6413 54.2538 42.6429 175.3357 263 I 5.3654 8.0720 126.1805 59.2948 41.2326 174.8560 264 T 4.3722 9.0079 119.2447 61.6793 69.8329 175.1093 265 D 4.5067 8.6880 121.1560 55.8125 41.6628 176.9221 266 S 4.7170 7.5252 114.1808 56.3879 66.6109 173.0177 267 E 4.1872 8.4165 121.7253 56.5554 31.3648 178.2123 268 Y 3.5011 7.5965 117.5220 58.8843 36.6188 172.0186 269 S 3.8211 8.7776 116.7488 62.8705 62.8108 176.1808 270 K 3.7322 8.0571 121.4622 59.6371 31.6679 178.7657 271 G 3.7091 7.7230 106.8519 47.1078 0.0000 175.8579 272 I 2.6383 7.0710 121.5048 64.0834 37.1979 178.3237 273 T 3.3757 8.1183 116.9621 66.7578 68.3062 176.4517 274 N 4.1267 8.0492 118.3010 56.3610 38.4472 177.7888 275 T 3.6631 7.4031 117.1536 66.5126 68.5177 176.8156 276 L 3.9846 7.8076 120.9111 57.6819 41.2403 179.8067 277 K 4.0605 7.6903 122.0708 59.3447 31.6757 180.1847 278 K 3.9951 7.4277 122.5519 59.7768 31.7155 180.5687 279 L 4.4032 8.1195 119.5266 56.2669 41.7343 177.8484 280 I 3.8558 9.2827 118.2615 62.1426 39.2009 175.3855 281 G 4.5103 6.7367 103.8083 42.9704 0.0000 172.4589 282 F 4.7052 8.3539 124.9116 57.4088 38.5351 175.9801 *284 R 4.1174 8.4120 127.8931 57.6766 31.1759 176.2426 285 R 4.1873 8.4609 117.2435 56.6164 29.5110 177.1893 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ -2 S 8.32 4.47 0.00 4.04 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 N 8.12 4.90 0.00 3.02 2.95 0.00 0.00 5.86 6.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 A 8.52 4.25 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 L 8.44 4.27 0.00 1.44 1.61 0.92 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.14 4.17 0.00 1.81 1.73 0.97 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 4 S 8.44 4.06 0.00 3.98 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 K 8.02 4.43 0.00 2.43 2.48 0.00 2.03 0.00 0.00 1.89 0.00 0.00 3.05 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.77 1.77 7.81 6 K 7.65 3.60 0.00 0.79 1.38 0.00 1.31 0.00 0.00 1.49 0.00 0.00 3.21 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.16 0.78 7.81 7 S 7.54 4.45 0.00 4.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 E 8.13 4.28 0.00 1.99 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.21 0.00 9 Y 7.63 4.94 0.00 2.99 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 K 9.18 4.57 0.00 0.90 1.59 0.00 0.78 0.00 0.00 1.53 0.00 0.00 2.83 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.31 1.12 7.81 11 T 8.32 5.21 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 12 L 7.93 4.59 0.00 1.36 1.59 0.65 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 13 S 9.24 4.31 0.00 3.80 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 T 8.25 4.10 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 15 V 7.77 4.18 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 1.03 0.00 0.00 16 E 8.73 4.18 0.00 1.86 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 17 H 7.60 4.96 0.00 3.10 3.19 0.00 5.70 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 P 0.00 4.59 0.00 2.20 1.81 0.00 3.66 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.16 0.00 19 Q 8.24 4.05 0.00 2.48 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.72 0.00 0.00 0.00 0.00 0.00 2.42 2.56 0.00 20 Y 8.73 5.02 0.00 2.77 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 I 8.37 4.86 1.78 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.78 0.38 0.00 0.00 22 V 8.63 4.70 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 1.02 0.00 0.00 23 F 9.74 5.16 0.00 3.02 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 C 9.05 5.58 0.00 3.14 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 D 9.23 4.72 0.00 2.91 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 F 9.21 4.34 0.00 3.07 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 D 8.13 4.61 0.00 2.89 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 E 9.22 4.14 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.28 0.00 29 T 6.71 4.50 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 30 Y 8.02 3.86 0.00 2.89 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 F 7.94 4.63 0.00 1.92 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.13 0.00 1.54 0.49 0.00 3.03 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.00 33 H 9.10 3.95 0.00 3.04 3.28 0.00 5.61 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 7.33 4.34 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 35 I 7.94 4.07 1.73 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.32 0.77 0.00 0.00 36 D 8.20 4.54 0.00 2.74 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 E 8.50 3.87 0.00 2.01 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 38 Q 7.93 3.91 0.00 2.16 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.67 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 39 K 7.90 3.99 0.00 1.75 1.62 0.00 1.36 0.00 0.00 1.59 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.39 7.81 40 Q 7.87 3.64 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.28 1.94 0.00 41 Q 7.79 4.08 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.59 0.00 0.00 0.00 0.00 0.00 2.58 2.56 0.00 42 D 7.91 4.29 0.00 2.70 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 I 7.54 3.34 1.60 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.36 0.58 0.00 0.00 44 Y 7.39 4.70 0.00 3.17 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 E 8.42 3.95 0.00 2.15 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 46 L 7.94 3.88 0.00 1.62 1.61 0.89 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.08 3.86 0.00 2.40 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.58 0.00 48 D 8.30 4.35 0.00 2.89 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 Y 8.31 3.94 0.00 3.12 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 L 8.68 3.92 0.00 1.82 1.68 1.11 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.33 3.79 0.00 1.54 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 52 Q 7.75 3.87 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.57 0.00 0.00 0.00 0.00 0.00 2.22 2.33 0.00 53 K 7.88 3.84 0.00 1.55 1.67 0.00 1.46 0.00 0.00 1.42 0.00 0.00 2.65 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.75 0.49 7.81 54 S 8.03 4.09 0.00 4.06 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 K 8.06 3.91 0.00 1.87 1.88 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.21 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.69 7.81 56 D 8.03 4.64 0.00 2.62 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 G 7.94 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.51 4.40 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 59 L 7.95 5.90 0.00 1.66 1.65 0.95 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 60 I 8.17 4.39 1.79 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 1.02 0.56 0.00 0.00 61 I 8.54 4.87 1.90 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.52 0.86 0.00 0.00 62 G 8.26 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 W 8.01 5.39 0.00 3.21 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 V 9.30 4.86 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 1.20 0.00 0.00 65 T 9.11 4.74 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 66 G 8.87 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.84 4.91 0.00 3.73 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.48 4.95 0.00 4.16 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 I 8.49 3.69 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.56 0.99 0.00 0.00 70 E 8.30 3.94 0.00 2.16 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.35 0.00 71 S 7.57 4.15 0.00 4.01 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 I 7.23 3.36 1.87 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.48 0.45 0.00 0.00 73 L 7.91 4.03 0.00 1.78 1.77 1.04 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 74 D 7.91 4.51 0.00 2.94 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 K 7.50 4.05 0.00 1.38 0.74 0.00 1.33 0.00 0.00 1.55 0.00 0.00 2.95 0.00 0.00 3.61 0.00 0.00 0.00 0.00 1.27 1.49 7.81 *77 G 8.11 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 R 8.17 3.89 0.00 1.90 2.20 0.00 3.18 0.00 0.00 3.30 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 79 G 8.03 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 K 7.59 3.98 0.00 2.11 2.08 0.00 1.79 0.00 0.00 1.81 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.47 7.81 81 F 8.15 5.04 0.00 2.98 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 R 10.22 4.74 0.00 1.78 1.78 0.00 2.94 0.00 0.00 2.75 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.75 0.00 83 Y 8.33 5.34 0.00 2.94 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 F 9.28 4.07 0.00 2.85 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 P 0.00 4.46 0.00 1.58 0.80 0.00 2.96 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.44 0.00 86 H 8.61 4.66 0.00 3.45 3.59 0.00 5.78 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 F 7.58 5.49 0.00 2.96 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 I 8.76 5.05 2.02 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.91 0.98 0.00 0.00 89 A 9.19 5.07 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 S 8.59 5.29 0.00 4.04 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 D 9.40 4.22 0.00 2.86 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 L 8.56 3.74 0.00 1.82 1.78 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 93 G 8.37 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 T 7.70 4.41 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 95 E 7.99 4.91 0.00 1.88 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.28 0.00 96 I 8.32 4.74 1.52 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 -0.02 0.38 0.00 0.00 97 T 8.43 4.69 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 98 Y 8.15 4.99 0.00 2.77 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 F 8.95 4.45 0.00 2.93 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 S 8.46 4.75 0.00 3.88 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 E 8.97 4.19 0.00 1.96 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00 102 H 8.17 4.61 0.00 3.21 3.34 0.00 5.71 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 N 8.01 5.09 0.00 2.75 2.86 0.00 0.00 6.55 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 F 8.37 4.03 0.00 3.15 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 G 7.50 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 Q 7.62 4.04 0.00 2.27 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.94 0.00 0.00 0.00 0.00 0.00 2.47 2.34 0.00 107 Q 8.62 4.35 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.90 0.00 0.00 0.00 0.00 0.00 2.37 2.72 0.00 108 D 9.09 4.68 0.00 2.76 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 N 9.03 4.46 0.00 2.87 2.90 0.00 0.00 6.69 8.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 K 8.31 4.04 0.00 1.97 2.31 0.00 1.77 0.00 0.00 1.79 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.91 1.65 7.81 111 W 8.69 3.81 0.00 2.86 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 N 8.09 4.18 0.00 2.91 2.96 0.00 0.00 7.25 8.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 S 8.15 4.14 0.00 3.99 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 R 7.88 3.93 0.00 1.40 1.44 0.00 3.26 0.00 0.00 3.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.85 0.00 115 I 7.04 3.58 1.54 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.34 -0.01 0.00 0.00 116 N 7.85 4.70 0.00 3.01 2.90 0.00 0.00 6.94 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 E 7.88 4.14 0.00 2.09 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.21 0.00 118 G 7.65 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 F 7.92 4.82 0.00 2.78 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 S 7.75 4.62 0.00 3.73 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 K 8.35 3.80 0.00 1.68 1.69 0.00 1.65 0.00 0.00 1.79 0.00 0.00 2.96 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.41 1.39 7.81 122 E 7.96 4.00 0.00 2.01 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 1.93 0.00 123 K 7.73 4.20 0.00 1.76 1.83 0.00 1.73 0.00 0.00 1.77 0.00 0.00 3.11 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.61 1.68 7.81 124 V 7.28 3.09 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.64 0.00 0.00 125 E 7.96 3.76 0.00 2.04 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 126 K 7.73 3.81 0.00 2.00 1.98 0.00 1.68 0.00 0.00 1.82 0.00 0.00 3.10 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.68 1.52 7.81 127 L 7.03 3.69 0.00 0.71 0.13 0.63 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 128 V 7.74 3.65 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.76 0.00 0.00 129 K 8.19 3.89 0.00 1.78 1.81 0.00 1.87 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.38 1.33 7.81 130 Q 8.20 4.19 0.00 2.16 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.56 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 131 L 7.45 4.43 0.00 1.83 1.65 1.02 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 132 H 7.86 4.36 0.00 3.19 3.35 0.00 5.71 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 E 7.80 2.90 0.00 1.98 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.46 0.00 *173 K 8.83 4.69 0.00 1.71 1.85 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 0.97 7.81 174 I 7.69 4.02 1.96 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.39 0.99 0.00 0.00 175 C 8.22 4.28 0.00 3.10 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 E 8.36 3.99 0.00 2.07 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 177 E 7.81 4.11 0.00 2.25 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.54 0.00 178 Y 7.93 4.29 0.00 3.18 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 G 7.99 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 V 7.86 4.80 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 1.15 0.00 0.00 181 S 9.10 4.46 0.00 3.81 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *201 D 8.68 4.30 0.00 2.72 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 202 F 8.76 4.70 0.00 3.15 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 203 I 8.06 4.38 1.78 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.91 0.77 0.00 0.00 204 P 0.00 4.34 0.00 1.65 1.89 0.00 3.22 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.20 0.00 205 I 7.83 4.09 1.93 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.66 0.94 0.00 0.00 206 G 7.76 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 207 T 7.86 4.76 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 208 G 8.06 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 209 K 8.82 3.90 0.00 1.81 1.88 0.00 1.86 0.00 0.00 1.92 0.00 0.00 3.06 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.57 1.55 7.81 210 N 8.12 4.32 0.00 2.98 3.06 0.00 0.00 6.31 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 211 E 8.36 4.13 0.00 2.49 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 212 I 7.77 3.17 1.91 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.20 0.86 0.00 0.00 213 V 7.25 3.22 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 -0.00 0.00 0.00 214 T 7.75 4.11 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 215 F 8.56 3.94 0.00 3.45 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *217 L 7.80 4.44 0.00 2.00 2.00 1.02 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 218 E 8.09 3.92 0.00 2.07 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 219 K 7.75 3.63 0.00 1.18 1.40 0.00 1.59 0.00 0.00 1.24 0.00 0.00 2.43 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.37 0.92 7.81 220 Y 7.75 4.29 0.00 3.02 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 221 N 7.40 4.14 0.00 2.93 2.83 0.00 0.00 6.90 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 222 L 8.12 4.85 0.00 1.69 1.55 0.94 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 223 N 8.44 4.66 0.00 2.82 2.97 0.00 0.00 7.04 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 224 T 8.74 4.11 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 225 E 8.18 4.15 0.00 1.95 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 226 R 8.51 4.34 0.00 1.88 1.89 0.00 2.58 0.00 0.00 2.92 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.53 0.00 227 A 8.12 5.13 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 228 I 9.14 5.12 1.91 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.09 0.67 0.00 0.00 229 A 9.04 5.42 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 230 F 9.23 5.47 0.00 3.10 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 231 G 9.29 4.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 232 D 9.77 5.12 0.00 2.69 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 233 S 8.09 4.94 0.00 3.98 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 234 G 8.64 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 235 N 8.18 4.65 0.00 2.85 2.95 0.00 0.00 5.92 8.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 236 D 7.86 4.80 0.00 2.83 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 237 V 7.75 3.69 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.93 0.00 0.00 238 R 7.78 4.09 0.00 1.87 1.91 0.00 3.37 0.00 0.00 3.34 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.60 0.00 *240 L 7.99 4.22 0.00 1.63 1.55 0.90 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 241 Q 7.80 4.15 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.94 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 242 T 7.44 4.13 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 243 V 7.46 4.04 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 1.02 0.00 0.00 244 G 8.53 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 245 N 8.46 5.02 0.00 2.85 2.99 0.00 0.00 6.56 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 246 G 8.05 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 247 Y 8.79 5.03 0.00 3.06 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 248 L 9.07 4.76 0.00 1.92 1.63 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 249 L 8.49 4.80 0.00 1.50 1.41 0.89 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 250 K 8.61 3.79 0.00 1.82 1.72 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.39 7.81 251 N 7.72 4.40 0.00 2.52 2.56 0.00 0.00 5.98 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 252 A 7.74 4.26 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 253 T 8.01 4.08 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 254 Q 8.50 3.96 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.96 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 255 E 8.13 3.92 0.00 2.08 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 256 A 8.02 3.98 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 257 K 7.57 4.06 0.00 1.84 1.88 0.00 1.87 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.48 7.81 258 N 8.24 4.46 0.00 2.82 2.89 0.00 0.00 7.12 8.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 259 L 7.81 4.24 0.00 1.81 1.74 0.93 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 260 H 7.92 4.83 0.00 3.00 3.13 0.00 5.94 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 261 N 8.52 4.31 0.00 2.64 2.71 0.00 0.00 7.11 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 262 L 7.32 4.24 0.00 1.54 1.41 0.79 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 263 I 8.07 5.37 1.91 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.09 0.94 0.00 0.00 264 T 9.01 4.37 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 265 D 8.69 4.51 0.00 2.66 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 266 S 7.53 4.72 0.00 3.79 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 267 E 8.42 4.19 0.00 1.80 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 268 Y 7.60 3.50 0.00 3.03 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 269 S 8.78 3.82 0.00 3.65 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 270 K 8.06 3.73 0.00 1.77 1.85 0.00 1.51 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.48 7.81 271 G 7.72 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 272 I 7.07 2.64 1.61 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.15 0.43 0.00 0.00 273 T 8.12 3.38 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 274 N 8.05 4.13 0.00 2.61 2.72 0.00 0.00 7.11 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 275 T 7.40 3.66 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.00 0.00 276 L 7.81 3.98 0.00 1.30 1.75 1.01 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 277 K 7.69 4.06 0.00 1.50 0.98 0.00 1.36 0.00 0.00 1.50 0.00 0.00 2.64 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.96 0.66 7.81 278 K 7.43 4.00 0.00 1.88 1.73 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.35 7.81 279 L 8.12 4.40 0.00 1.48 1.64 0.89 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 280 I 9.28 3.86 1.92 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.14 0.05 0.84 0.00 0.00 281 G 6.74 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 282 F 8.35 4.71 0.00 3.05 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *284 R 8.41 4.12 0.00 1.94 1.92 0.00 3.27 0.00 0.00 3.29 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.72 0.00 285 R 8.46 4.19 0.00 1.83 1.69 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.19 0.00 * Residues marked with a * may have inaccurate shift predictions.