NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.3856 8.1593 110.9551 61.5938 70.4920 172.9785 6 S 4.4992 8.2488 118.4059 55.2173 64.6768 172.4580 7 K 4.4867 8.9999 121.7788 57.5552 33.7881 177.2833 8 N 4.6678 7.9201 117.8753 52.4888 39.9282 173.0213 9 P 4.4232 0.0000 0.0000 62.9566 32.0358 176.2684 10 Q 4.4736 8.4604 125.4270 55.5677 29.8095 176.4545 11 V 3.7740 8.6769 123.4329 61.8304 32.9400 175.4633 12 D 4.4605 8.4097 123.4535 52.2494 41.6943 176.3675 13 I 3.5905 8.4975 127.1325 64.0316 37.4126 177.8547 14 A 4.0987 7.8731 121.9678 54.1902 18.3750 176.9242 15 E 4.4212 7.4775 114.5173 53.7764 33.2087 174.5587 16 D 4.1737 8.2065 123.4305 54.9307 41.6953 175.7543 17 N 4.4797 8.6162 124.4859 54.5577 37.4877 172.3743 18 A 5.1235 6.6039 115.3469 49.6387 21.9668 176.6658 19 F 5.0954 8.9810 118.9082 55.6395 43.1180 175.1894 20 F 4.8541 8.9428 122.1933 56.2097 40.5774 173.0860 21 P 4.9366 0.0000 0.0000 61.6471 31.8728 177.1120 22 S 4.7265 8.4694 117.1101 57.9817 63.5582 175.2173 23 E 4.0811 8.9737 122.3569 58.8327 29.8926 177.5120 24 Y 4.2977 8.1283 119.2623 60.6746 39.0981 176.6094 25 S 4.2385 8.3784 113.9922 60.6836 63.4097 175.4917 26 L 4.5888 7.6674 118.8859 55.6235 41.2277 178.0874 27 S 4.4676 7.3502 114.0945 56.7472 63.0726 173.8713 *50 K 4.4898 7.9854 124.5248 56.5650 34.1595 174.7186 51 I 4.6368 7.8377 119.6135 60.2974 39.4017 174.5259 52 L 4.7168 8.7976 129.3598 54.7517 43.2829 175.1655 53 V 4.7286 9.1366 127.3669 61.4998 33.5702 174.5303 54 I 5.3530 8.7434 129.2603 59.3928 37.5662 174.9082 55 A 4.6669 8.2729 128.0531 49.5674 22.1435 175.4913 56 A 4.0872 9.4550 123.3499 51.9239 19.0987 178.1364 57 D 4.8657 8.4722 120.5990 52.9444 40.3011 175.9156 58 E 4.5614 7.5401 120.1555 54.6951 32.6917 174.6718 59 R 4.0226 8.4706 125.5131 57.8770 31.8251 175.0016 60 Y 5.0295 8.0460 117.0247 56.3153 39.2303 175.1219 61 L 4.7147 8.6072 127.3478 52.7221 44.1755 173.7223 62 P 4.8420 0.0000 0.0000 62.8617 32.1541 176.3422 63 T 4.6978 8.6975 115.4121 60.1545 71.5699 174.7975 64 D 4.6360 8.9929 120.3077 54.6998 39.9522 176.4585 65 N 4.8814 8.0825 117.8310 52.6202 37.7050 176.3747 66 G 4.1327 7.9722 110.2706 46.4554 0.0000 175.2612 67 K 4.4300 7.7117 118.9893 56.4595 33.4413 176.2768 68 L 4.8916 8.8099 124.1175 53.7669 43.7861 175.5385 69 F 5.0700 9.5960 127.2894 57.2122 40.5459 174.8443 70 S 4.3798 9.2304 123.0952 58.3246 61.3816 173.0409 71 T 4.2629 9.2583 128.8873 61.8844 70.4571 172.3038 72 G 3.4246 7.9602 104.4593 44.6183 0.0000 171.4694 73 N 4.7185 8.2049 119.0316 52.9038 39.3154 173.9550 74 H 4.5894 8.6160 121.2556 54.0241 30.3725 174.4313 75 P 3.7129 0.0000 0.0000 65.9669 31.0693 178.6069 76 I 3.6724 7.5324 119.2163 63.9834 37.1459 178.0249 77 E 4.1374 8.3260 118.5463 58.3583 29.1532 177.7890 78 T 4.8581 7.4393 110.6368 61.7806 68.5302 174.5805 79 L 4.7215 7.4912 119.4764 57.3884 42.9526 178.2414 80 L 4.0116 7.7855 118.7043 57.7107 41.4428 177.9156 81 P 4.2194 0.0000 0.0000 65.5813 31.3234 178.2780 82 L 4.2112 7.7356 116.0651 57.1789 41.8532 178.0994 83 Y 3.8376 8.1009 119.5694 60.2216 38.6508 175.7212 84 H 4.3494 7.8322 114.5943 55.9442 28.6943 174.8479 85 L 4.4309 7.8230 120.1402 57.9550 43.7174 179.2458 *86 H 4.1773 8.9431 112.6521 55.0039 25.5606 175.9839 87 A 4.4124 7.6838 128.9281 53.8248 25.1995 178.6139 88 A 4.2349 8.1868 115.3246 51.8270 18.6765 174.2760 89 G 3.5554 9.1496 110.6137 46.0292 0.0000 174.0150 90 F 4.4150 7.9884 123.8116 56.3080 41.0822 172.8263 91 E 4.5718 8.7348 128.3928 55.5367 30.5855 176.1008 92 F 5.4647 8.5468 122.3197 56.5459 40.4102 174.8121 93 E 4.7365 9.9073 120.1344 55.4203 32.9176 174.2590 94 V 4.6738 8.6907 126.7838 62.4510 33.9522 174.3528 95 A 4.9672 9.0664 126.6366 51.0267 22.9872 175.5142 96 T 4.8501 8.5114 111.9425 59.6472 72.0060 175.1518 97 I 3.7208 8.5982 123.3982 64.7123 36.7302 177.8030 98 S 4.2603 7.8462 113.4209 58.9757 63.5068 175.0527 99 G 4.0458 7.9363 108.1574 45.2629 0.0000 174.0376 100 L 4.1818 7.2751 118.9417 54.4440 42.1886 176.9229 101 M 4.2874 8.2677 117.8720 55.2519 31.8476 176.3411 102 T 3.9889 8.2409 117.4701 64.3089 69.6293 173.8172 103 K 4.3654 8.3707 123.9352 54.7943 34.4949 175.0553 104 F 4.6360 8.2153 123.7901 55.4576 41.3520 177.0362 105 E 3.5447 8.7077 123.1570 55.9816 27.3169 177.1558 106 Y 4.0622 7.7050 119.5017 58.7416 39.0493 176.9380 107 W 4.2639 6.5168 117.6361 58.2973 26.7409 176.6222 108 A 3.8089 7.4165 121.0101 54.4813 16.3569 175.0971 109 M 4.4667 7.2861 121.8605 53.4179 34.9004 172.9405 *118 P 4.3745 0.0000 0.0000 63.8505 34.1742 178.2024 119 F 4.4264 8.0029 119.6718 60.2840 39.7611 176.9707 120 F 4.5833 8.4925 119.9139 61.6253 38.9046 176.4073 121 E 3.6580 8.2275 117.1646 59.9374 29.4305 179.4263 122 Q 4.0309 7.4241 116.4545 58.1293 29.0498 177.3442 123 H 4.6900 7.3890 113.4320 54.7931 30.1346 175.6230 124 K 4.0081 8.1531 123.4512 59.9174 31.6673 178.1687 125 S 4.1952 8.1070 113.5940 61.3833 62.4544 176.3399 126 L 4.0760 8.2111 122.2780 57.4600 41.7437 178.8810 127 F 4.5587 8.2142 117.4486 60.3457 38.8544 177.2951 128 R 4.2479 8.2774 117.0066 57.4639 31.2960 175.9482 129 N 5.0729 7.6625 114.6523 51.2947 38.8499 171.4780 130 P 4.6872 0.0000 0.0000 62.3306 33.6274 177.6533 131 K 4.4870 8.2636 119.7046 55.0206 33.9639 176.5990 132 K 4.3660 8.4154 123.4692 56.6611 33.1456 177.6733 133 L 3.8691 8.7760 128.5018 58.2966 41.6129 178.9860 134 A 4.1605 7.9927 121.5672 54.8576 17.9133 179.1037 135 D 4.4023 7.4555 115.8956 56.8662 40.7155 178.6273 136 V 3.8317 7.8618 118.6577 64.7123 31.2896 178.4903 137 V 3.5894 7.0805 117.5195 64.9252 31.4123 177.3017 138 A 4.0938 7.8704 121.1745 54.6302 18.8970 177.8764 139 S 4.3750 7.0037 112.3232 57.9902 63.6918 173.1011 *145 E 4.3443 8.6651 115.4146 56.2025 31.1205 175.4529 146 Y 4.7150 8.1027 114.0760 56.5837 40.3214 174.5886 147 A 4.9359 8.3873 121.0703 51.0384 19.4069 174.5340 148 A 4.6522 7.7992 121.0807 53.1080 23.5283 176.7842 149 I 4.6676 8.1000 116.9537 60.5703 41.8020 174.1510 150 F 5.4745 9.7466 130.7242 56.6312 41.5750 174.4826 151 V 4.3020 8.9334 126.8206 60.0047 32.7310 172.9785 152 P 4.1180 0.0000 0.0000 62.0792 32.3599 177.3119 153 G 4.2374 7.7449 111.0489 47.4377 0.0000 173.6962 154 G 4.3353 8.8072 107.2224 46.5393 0.0000 173.8996 155 H 4.1748 8.4152 117.3077 57.1884 28.5963 178.3194 156 G 3.4992 8.0623 108.3137 47.5301 0.0000 175.5726 157 A 3.9027 7.5367 121.8155 54.6060 18.3593 179.2616 158 L 4.2598 7.5508 116.5639 55.7873 41.6913 177.0377 159 I 4.1325 7.4342 120.5236 61.7797 37.5224 174.8822 160 G 4.3332 9.0295 120.4875 45.7754 0.0000 174.6197 161 L 3.9267 7.9490 119.9118 56.8802 42.0012 178.0765 162 P 4.4023 0.0000 0.0000 64.8729 31.3529 177.1450 163 E 4.5264 8.0720 116.3893 55.4175 30.1960 175.4149 164 S 4.4801 8.1321 113.3311 57.5446 63.5124 174.8643 165 Q 4.0484 8.6542 128.5860 58.9156 28.6302 178.4758 166 D 4.3092 7.9774 119.7563 57.2196 41.0318 178.5436 167 V 3.6627 7.5367 118.6519 66.0708 31.4259 177.4409 168 A 3.9679 8.1368 120.0686 55.5586 18.3396 179.2640 169 A 3.8143 8.1888 118.2204 55.4158 18.5256 179.7903 170 A 4.0328 8.4275 119.4685 55.3351 18.4524 179.9286 171 L 4.1135 8.5145 117.9562 57.9125 41.5706 179.7540 172 Q 4.1128 9.0554 119.0192 58.5399 28.5479 178.3435 173 W 4.1219 8.1991 128.8984 60.6065 30.6909 177.9408 174 A 3.6653 8.2581 120.0884 54.7604 17.7406 179.6048 175 I 3.6483 7.2708 116.9098 63.8760 37.3538 177.8564 176 K 4.1856 8.0088 117.7254 57.6388 31.9736 176.3074 177 N 4.5568 6.7902 114.0777 52.6745 40.2668 173.2712 178 D 4.1120 7.4661 114.4433 55.5891 39.8894 172.3996 179 R 4.5063 8.0278 117.2790 54.4278 33.4757 177.8941 180 F 4.6541 8.5273 118.8645 57.4637 40.7597 175.1599 181 V 4.7130 9.0795 122.4884 61.5150 34.0276 174.0239 182 I 5.5317 8.7135 129.3096 59.2357 39.7980 174.9950 183 S 5.2733 8.8015 118.8342 58.7366 66.0702 172.4752 184 L 4.6282 8.4618 121.6255 55.8148 43.7375 177.7710 185 C 4.2574 8.6365 121.1486 60.5829 31.1784 174.2708 186 H 4.0067 8.7570 115.7822 55.1456 28.9873 176.2759 187 G 3.7780 8.0980 109.9501 46.7834 0.0000 173.9423 188 P 2.9700 0.0000 0.0000 63.7922 31.2024 178.0077 189 A 4.2778 7.9458 120.0004 54.4319 18.1633 179.2856 190 A 3.9631 7.9744 120.1365 54.9703 18.4181 179.6561 191 F 4.5926 7.6028 116.3521 60.4696 38.4534 177.1738 192 L 4.2674 7.8346 117.8364 56.5625 41.1195 178.7915 193 A 4.2910 7.8799 122.2970 54.0606 18.6873 179.1018 194 L 4.1696 8.4362 116.6978 57.1291 41.5044 179.1320 195 R 3.6849 7.2248 117.1999 59.9012 30.5539 176.4183 196 H 4.9531 7.9329 114.3251 56.2078 29.9007 176.1186 197 G 4.3596 8.0857 110.8627 45.4178 0.0000 174.5952 198 D 4.3570 8.8295 119.2769 53.6005 40.4377 174.0939 199 N 4.0870 8.0697 121.5188 53.1616 36.0181 171.9307 200 P 4.6078 0.0000 0.0000 63.1329 32.5804 177.2116 201 L 4.2218 7.6426 120.6323 54.7358 42.3457 175.2414 202 N 4.4420 7.4435 115.1053 56.1597 39.1834 174.1241 203 G 4.1962 9.3365 114.4372 45.7278 0.0000 173.7545 204 Y 4.2531 7.6935 116.6190 58.8158 38.9033 176.0529 205 S 5.4609 9.5798 119.6121 57.1798 65.2924 173.4548 206 I 4.8241 9.2774 116.4722 60.0047 41.3335 173.5712 207 C 5.0601 8.9559 120.8616 59.4327 29.3040 173.1096 208 A 4.5973 8.4836 120.7623 50.8635 22.4869 176.1185 209 F 4.1599 9.0319 123.5479 57.5122 40.0459 173.5528 210 P 4.2901 0.0000 0.0000 62.4423 32.1471 176.8308 211 D 4.4475 8.8177 121.8688 57.4770 39.0726 178.7643 212 A 3.8573 7.9361 120.3943 55.3758 18.1531 179.5032 213 A 4.1987 7.7605 118.3599 55.1013 17.9026 179.4818 214 D 4.4836 7.7696 116.6311 57.1302 40.8701 178.5164 215 K 4.3951 8.0149 117.3054 58.0669 31.8670 177.9088 216 Q 4.6248 7.7493 116.1441 55.7388 30.5637 177.5688 217 T 3.9249 7.5467 111.4879 64.1152 68.6594 174.4976 218 P 4.4008 0.0000 0.0000 65.0722 30.9158 177.7337 219 E 4.1500 7.7184 115.5747 57.5076 29.4421 177.2397 220 I 4.4258 7.8970 110.5810 59.9692 38.9752 176.4173 221 G 3.9164 8.7165 111.2189 45.1983 0.0000 174.6732 222 Y 3.9989 8.0095 120.3108 59.2059 38.6152 175.9600 223 M 4.0376 7.4303 117.6384 52.2444 35.1760 174.3180 224 P 4.2113 0.0000 0.0000 63.9220 31.7480 175.5813 225 G 4.0068 7.0026 104.2234 46.7406 0.0000 172.3696 226 H 4.9568 8.5247 116.4489 54.3096 30.1906 175.4988 227 L 4.4078 8.2515 120.7770 54.8540 42.2635 178.4606 228 T 4.0025 8.5703 112.2508 63.3883 69.3409 174.0770 229 W 4.8479 6.6234 117.8322 55.7866 31.3251 173.1026 230 Y 4.6645 8.5407 116.7567 55.9031 40.1997 177.0777 231 F 4.9622 9.1108 120.3250 59.3974 38.3123 178.0994 232 G 3.6796 7.4260 107.5069 47.0825 0.0000 174.9063 233 E 3.9697 8.2941 121.9149 58.9156 29.5653 178.6162 234 E 4.0779 7.9308 117.0537 59.5790 29.6408 179.3314 235 L 4.1469 8.5620 119.3806 57.6571 41.7192 179.7909 236 K 4.1548 8.1518 118.4275 59.5049 31.8522 179.1559 237 K 3.9351 8.1956 118.7701 59.9036 32.1085 178.0705 238 M 4.3027 8.2271 118.1038 58.2820 32.3873 175.9818 239 G 3.9896 7.2965 108.0490 45.7008 0.0000 172.7386 240 M 5.0328 8.0385 118.8835 53.4136 34.7542 175.6457 241 N 4.7332 9.2546 119.6267 52.1054 40.6657 174.8166 242 I 4.5817 8.3090 126.7163 60.0538 37.7265 176.3510 243 I 4.1642 8.6902 120.9633 60.6817 37.8385 175.6941 244 N 5.0244 7.6799 117.1776 51.4206 39.8108 173.8445 245 D 4.8237 8.7245 118.4695 52.8590 40.3799 174.8543 246 D 4.7767 7.5814 117.8923 51.7251 42.5863 174.6816 247 I 4.4629 8.0929 120.8192 60.1893 37.8576 175.8511 248 T 4.4737 9.2269 114.0751 60.5875 70.3815 175.0423 249 G 4.2108 8.9742 109.5842 45.1676 0.0000 172.8437 250 R 4.1605 8.0769 119.7729 56.0896 30.9227 176.1629 251 V 4.9134 8.3710 118.9588 60.4017 34.5742 174.3156 252 H 4.9548 9.3568 121.0482 54.8338 33.7449 171.8342 253 K 4.8702 8.1037 123.8959 54.7333 34.9896 175.4313 254 D 4.4631 9.0102 126.6076 53.6792 43.3588 174.9099 255 R 3.6282 8.3382 129.9099 57.8461 28.8318 177.5416 256 K 4.4895 8.4047 116.5602 57.9766 32.9089 176.6709 257 L 5.0832 8.2433 122.7719 53.6368 45.0694 174.5845 258 L 5.4636 8.8661 127.0684 53.2320 44.4882 176.0444 259 T 5.9026 8.5491 112.0642 59.4095 72.9700 172.4730 260 G 4.5855 8.6483 108.4462 44.8368 0.0000 172.2808 261 D 5.0823 8.3178 117.6899 54.2144 42.2667 176.2690 262 S 4.6249 7.7521 111.6851 55.5533 65.8433 172.8945 263 P 4.0396 0.0000 0.0000 65.7873 30.5302 178.3214 264 F 4.6939 7.0686 112.8318 59.0529 39.0446 176.0384 265 A 4.7497 8.0991 119.6536 51.6149 19.9642 177.9794 266 A 3.9646 7.9056 120.3227 55.9233 18.4168 178.7876 267 N 4.2486 8.3314 114.5848 56.5502 38.7137 176.3033 268 A 3.9777 8.0546 121.9754 55.1911 18.3585 179.3763 269 L 4.0039 8.4443 119.5215 58.2068 42.2287 179.1542 270 G 3.5373 7.9323 105.7209 47.7514 0.0000 175.5136 271 K 3.7301 7.8832 120.6978 59.2019 31.9797 179.1322 272 L 3.8956 7.4754 119.7301 57.9820 42.1616 178.6705 273 A 3.6707 8.1514 120.8181 55.3409 18.1897 178.8376 274 A 3.8325 8.0633 119.3797 54.7656 18.3153 179.1441 275 Q 3.8494 8.0889 115.9083 59.6564 29.0560 179.7248 276 E 3.9725 8.3909 119.3693 59.6167 29.2029 179.3174 277 M 4.0430 7.4245 117.7243 57.9972 32.1444 178.4188 278 L 4.2149 8.4281 118.6195 57.8883 41.9643 178.9990 279 A 4.1429 8.2137 120.0969 55.0657 18.4428 177.7561 280 A 4.3269 7.5871 122.4894 52.5767 18.7288 177.1296 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 5 T 8.16 4.39 4.39 0.00 0.00 0.00 0.00 0.00 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 6 S 8.25 4.50 0.00 4.08 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 0.00 7 K 9.00 4.49 0.00 1.79 1.96 0.00 1.15 0.00 0.00 0.61 0.00 0.00 2.44 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.11 1.26 7.81 8 N 7.92 4.67 0.00 2.71 2.78 0.00 0.00 7.06 7.45 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 9 P 0.00 4.42 0.00 1.39 1.79 0.00 3.51 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.95 0.00 10 Q 8.46 4.47 0.00 2.37 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.98 0.00 0.00 0.00 0.00 0.00 2.47 2.38 0.00 11 V 8.68 3.77 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.61 0.00 0.00 12 D 8.41 4.46 0.00 1.58 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 I 8.50 3.59 1.86 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 1.36 0.69 0.88 0.00 0.00 14 A 7.87 4.10 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 E 7.48 4.42 0.00 1.19 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 1.47 1.69 0.00 16 D 8.21 4.17 0.00 2.68 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.62 4.48 0.00 2.94 2.78 0.00 0.00 6.91 7.70 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 18 A 6.60 5.12 0.93 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 19 F 8.98 5.10 0.00 3.01 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 20 F 8.94 4.85 0.00 2.94 2.60 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 21 P 0.00 4.94 0.00 1.31 1.17 0.00 2.66 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 0.49 0.70 0.00 22 S 8.47 4.73 0.00 4.17 4.05 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 0.00 0.00 0.00 0.00 23 E 8.97 4.08 0.00 2.00 2.09 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 2.33 2.33 0.00 24 Y 8.13 4.30 0.00 2.99 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 25 S 8.38 4.24 0.00 4.24 4.28 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 0.00 0.00 0.00 0.00 26 L 7.67 4.59 0.00 1.69 1.82 0.92 1.19 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 27 S 7.35 4.47 0.00 3.83 3.81 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 0.00 0.00 0.00 *50 K 7.99 4.49 0.00 1.98 2.16 0.00 1.95 0.00 0.00 2.06 0.00 0.00 3.01 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.64 7.81 51 I 7.84 4.64 2.09 0.00 0.00 0.85 0.00 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0.00 0.00 2.14 2.15 0.00 164 S 8.13 4.48 0.00 4.08 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 0.00 165 Q 8.65 4.05 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.70 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 166 D 7.98 4.31 0.00 2.70 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 V 7.54 3.66 2.23 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 0.95 0.00 0.00 0.91 0.00 0.00 168 A 8.14 3.97 1.43 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 0.00 0.00 0.00 169 A 8.19 3.81 1.43 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 0.00 0.00 0.00 170 A 8.43 4.03 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 L 8.51 4.11 0.00 1.99 1.77 1.24 1.13 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 0.00 172 Q 9.06 4.11 0.00 2.13 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.78 0.00 0.00 0.00 0.00 0.00 2.51 2.41 0.00 173 W 8.20 4.12 0.00 3.47 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 A 8.26 3.67 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 I 7.27 3.65 1.79 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.52 0.84 0.00 0.00 176 K 8.01 4.19 0.00 1.69 1.82 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.38 1.41 7.81 177 N 6.79 4.56 0.00 2.14 1.90 0.00 0.00 7.19 8.35 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 0.00 178 D 7.47 4.11 0.00 2.68 2.48 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 0.00 179 R 8.03 4.51 0.00 1.64 1.86 0.00 3.73 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.24 0.00 180 F 8.53 4.65 0.00 3.07 2.87 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 0.00 181 V 9.08 4.71 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 1.10 0.00 0.00 0.90 0.00 0.00 182 I 8.71 5.53 2.12 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 1.01 1.38 0.93 0.00 0.00 183 S 8.80 5.27 0.00 4.03 3.75 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 0.00 0.00 0.00 184 L 8.46 4.63 0.00 1.79 1.87 1.03 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 185 C 8.64 4.26 0.00 3.30 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 0.00 0.00 0.00 186 H 8.76 4.01 0.00 3.06 2.61 0.00 5.90 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 G 8.10 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 P 0.00 2.97 0.00 2.32 2.18 0.00 3.58 0.00 0.00 3.85 0.00 0.00 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9.58 5.46 0.00 3.76 3.78 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 0.00 0.00 0.00 0.00 206 I 9.28 4.82 2.06 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.26 1.10 0.00 0.00 207 C 8.96 5.06 0.00 2.94 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 208 A 8.48 4.60 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 0.00 209 F 9.03 4.16 0.00 3.06 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 0.00 210 P 0.00 4.29 0.00 2.08 2.00 0.00 2.48 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.67 0.00 211 D 8.82 4.45 0.00 2.53 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 212 A 7.94 3.86 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 0.00 0.00 0.00 0.00 0.00 213 A 7.76 4.20 1.16 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 0.00 214 D 7.77 4.48 0.00 3.19 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 0.00 215 K 8.01 4.40 0.00 1.88 1.86 0.00 1.36 0.00 0.00 1.51 0.00 0.00 2.19 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.12 7.81 216 Q 7.75 4.62 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.80 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 217 T 7.55 3.92 4.33 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 1.15 0.00 0.00 218 P 0.00 4.40 0.00 2.13 2.31 0.00 3.74 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.47 0.00 219 E 7.72 4.15 0.00 2.03 2.05 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 0.00 2.45 2.48 0.00 220 I 7.90 4.43 2.10 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.82 0.98 0.00 0.00 221 G 8.72 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 230 Y 8.54 4.66 0.00 3.06 3.05 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 0.00 0.00 0.00 0.00 231 F 9.11 4.96 0.00 3.47 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 0.00 232 G 7.43 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.29 3.97 0.00 2.12 2.08 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 2.39 2.41 0.00 234 E 7.93 4.08 0.00 2.55 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 3.05 2.82 0.00 235 L 8.56 4.15 0.00 1.85 1.84 1.22 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 236 K 8.15 4.15 0.00 2.03 1.87 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.61 7.81 237 K 8.20 3.94 0.00 1.88 2.07 0.00 1.86 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.50 1.49 7.81 238 M 8.23 4.30 0.00 2.22 2.28 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.62 0.00 239 G 7.30 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 240 M 8.04 5.03 0.00 2.03 2.18 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.77 0.00 241 N 9.25 4.73 0.00 2.69 2.77 0.00 0.00 7.18 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 242 I 8.31 4.58 1.84 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 1.43 0.87 0.92 0.00 0.00 243 I 8.69 4.16 1.79 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 1.18 0.49 0.86 0.00 0.00 244 N 7.68 5.02 0.00 2.85 2.75 0.00 0.00 6.67 7.94 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 0.00 245 D 8.72 4.82 0.00 2.68 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 0.00 246 D 7.58 4.78 0.00 2.70 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.09 4.46 1.87 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.25 1.11 0.00 0.00 248 T 9.23 4.47 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 1.22 0.00 0.00 249 G 8.97 4.21 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 0.00 250 R 8.08 4.16 0.00 1.98 1.84 0.00 3.08 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 251 V 8.37 4.91 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 0.78 0.00 0.00 0.95 0.00 0.00 252 H 9.36 4.95 0.00 3.15 3.14 0.00 5.52 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 253 K 8.10 4.87 0.00 1.76 1.57 0.00 1.98 0.00 0.00 1.67 0.00 0.00 2.68 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.31 1.45 7.81 254 D 9.01 4.46 0.00 2.95 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 0.00 255 R 8.34 3.63 0.00 2.31 1.81 0.00 2.93 0.00 0.00 3.01 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 256 K 8.40 4.49 0.00 1.51 1.45 0.00 0.87 0.00 0.00 0.61 0.00 0.00 2.40 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.27 1.40 7.81 257 L 8.24 5.08 0.00 1.50 1.86 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 258 L 8.87 5.46 0.00 1.67 1.56 0.69 0.63 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 0.00 259 T 8.55 5.90 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 1.43 0.00 0.00 260 G 8.65 4.59 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 0.00 0.00 0.00 261 D 8.32 5.08 0.00 2.72 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 0.00 262 S 7.75 4.62 0.00 3.89 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 263 P 0.00 4.04 0.00 1.70 1.83 0.00 3.22 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.98 0.00 264 F 7.07 4.69 0.00 3.12 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 0.00 265 A 8.10 4.75 1.45 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 0.00 0.00 0.00 266 A 7.91 3.96 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.33 4.25 0.00 2.82 2.80 0.00 0.00 6.95 7.75 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 0.00 268 A 8.05 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 0.00 269 L 8.44 4.00 0.00 1.85 1.92 0.95 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 270 G 7.93 3.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 271 K 7.88 3.73 0.00 1.78 1.81 0.00 1.62 0.00 0.00 1.54 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.31 7.81 272 L 7.48 3.90 0.00 1.67 1.66 0.91 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 273 A 8.15 3.67 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 0.00 0.00 0.00 0.00 0.00 274 A 8.06 3.83 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.09 3.85 0.00 2.33 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.74 0.00 0.00 0.00 0.00 0.00 2.36 2.48 0.00 276 E 8.39 3.97 0.00 1.70 1.78 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 0.00 2.40 2.50 0.00 277 M 7.42 4.04 0.00 1.58 1.88 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.33 0.00 278 L 8.43 4.21 0.00 1.86 1.76 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 279 A 8.21 4.14 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 280 A 7.59 4.33 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 * Residues marked with a * may have inaccurate shift predictions.