NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.3892 8.2649 123.5892 51.7925 20.1222 176.0183 *2 K 4.4335 8.2246 119.3824 56.4502 34.0992 174.5789 3 I 5.1677 9.4117 125.8355 59.5085 40.2333 174.4111 4 A 5.4880 9.2828 128.8824 50.4519 21.5407 175.2343 5 L 5.2562 9.1729 123.7281 53.4403 45.0648 175.3477 6 I 4.9497 8.8775 126.1595 59.9295 40.2567 173.8839 7 N 5.1866 8.9039 124.6494 51.7744 40.4308 175.2711 8 E 4.5853 8.4966 120.4102 54.6678 32.5103 175.0894 9 N 4.4641 8.7521 115.8135 56.9097 38.6070 177.9545 10 S 4.1480 8.5490 110.5159 60.7094 63.3825 174.8118 11 Q 4.4994 8.2056 117.0868 55.2184 29.3404 176.9335 12 A 4.0169 7.8775 124.5772 55.3047 18.4457 180.6886 13 S 4.1961 8.0649 108.8140 60.6607 63.3381 175.0320 14 K 4.3237 7.9780 119.4906 56.3534 32.6596 177.6105 15 N 4.2010 8.2462 119.0811 57.0672 38.6768 175.9517 16 H 4.2132 8.3889 115.7681 59.0577 28.3704 177.4023 17 I 3.6849 7.3187 121.9655 63.9757 36.9582 178.3961 18 I 3.8518 7.8346 120.6425 64.4351 36.9477 177.7610 19 Y 3.9789 8.7181 120.7577 60.9129 38.5241 177.7323 20 D 4.3876 8.4050 119.7321 57.7393 40.8252 179.3495 21 S 4.1962 8.1903 115.3517 61.5213 62.8268 176.4892 22 L 3.4486 8.1219 123.3120 57.8569 41.6903 178.9770 23 K 3.8489 8.1215 121.1673 58.4978 31.8555 178.4287 24 E 3.8388 7.9020 119.6295 59.0757 29.6101 178.7050 25 A 4.0028 7.6451 119.6073 55.4624 18.4092 179.7933 26 T 3.5640 8.0489 108.6579 64.7883 68.8533 176.5352 27 D 4.2225 8.3189 122.1804 56.9354 40.6019 178.5700 28 K 3.8228 7.4430 118.7005 59.4905 32.3307 178.5811 29 K 3.8814 7.4943 116.1675 56.5076 31.8784 177.7371 30 G 3.7748 7.2643 106.5299 46.4353 0.0000 173.3419 31 Y 4.7315 7.6900 116.9728 57.1393 39.6219 174.9282 32 Q 4.3866 8.4896 119.6250 54.4421 30.7855 174.3698 33 L 4.9884 8.2046 126.2771 53.3024 44.0910 175.2184 34 F 4.4185 9.5481 125.2924 55.6861 41.6249 174.3392 35 N 4.9916 9.0186 124.0192 53.4016 37.5715 173.5489 36 Y 4.1400 9.4083 124.2667 59.2765 38.7825 176.3292 37 G 3.7403 8.5740 107.3476 47.1624 0.0000 174.3423 *39 R 4.4748 7.1182 119.9659 54.2925 32.2601 176.1129 40 G 3.8248 8.7127 105.8859 46.4628 0.0000 173.1584 41 E 4.6328 8.2702 118.2775 53.6632 31.4546 175.7399 42 E 3.9568 8.6394 122.9485 58.0626 29.9139 177.7224 43 G 3.9447 8.9165 110.8852 45.3152 0.0000 173.4871 44 E 4.1981 7.5889 117.6892 55.4078 30.3260 177.0536 45 S 4.2194 8.3182 114.7498 58.6744 63.6768 173.8211 46 Q 4.5484 8.2583 121.2745 55.3131 30.3876 175.1105 47 L 4.9980 8.1352 120.3211 53.4097 46.3220 176.3978 48 T 4.6878 8.9271 114.2830 60.3801 70.6361 175.4128 49 Y 4.2591 8.4638 119.7134 60.0410 37.6710 178.6104 50 V 3.7900 7.1559 120.0196 66.0226 31.5550 177.8243 51 Q 3.8591 7.7520 116.3985 58.7601 28.4797 177.9230 52 N 4.5006 8.1409 117.1537 56.3754 38.8582 177.2645 53 G 3.7327 7.7053 105.5407 47.5605 0.0000 176.3315 54 L 3.1541 7.2687 119.3217 55.1830 41.9773 178.2645 *56 A 4.0676 8.0008 121.8187 51.6123 20.6436 179.6723 57 A 3.8611 7.6857 117.5165 55.2941 18.1713 179.9487 58 I 3.6025 7.5126 118.2019 64.4604 37.1603 178.7284 59 L 3.9860 7.6371 119.2365 57.7735 41.5262 179.5010 60 L 3.9629 8.3509 119.1774 57.8802 41.4521 179.3461 61 N 4.4115 8.2612 115.4677 55.9487 38.7607 176.0086 62 T 4.2362 7.8304 106.8301 60.9291 69.3879 175.5269 63 K 3.9063 7.9444 119.9942 57.4949 30.1524 176.6901 64 A 4.1174 7.8216 124.0025 54.0535 18.3603 178.8337 65 V 4.5322 7.2147 106.2232 59.9707 35.7030 174.6799 66 D 4.8046 8.8497 120.4059 55.4849 42.1300 177.2080 67 F 5.0145 8.0302 119.8055 56.5551 43.3424 173.0182 68 V 4.8295 8.0923 125.7776 61.1519 33.9874 174.1480 69 V 4.8902 9.1064 128.5003 62.2247 33.7500 174.7389 70 T 5.0890 8.3432 121.3006 63.0291 70.9082 171.8069 71 G 4.4733 8.3849 106.7987 46.6781 0.0000 169.5183 72 C 4.8463 7.5762 112.1047 57.8877 32.0769 173.5243 73 G 3.9145 7.8330 108.5589 49.2725 0.0000 175.3222 74 T 4.1984 7.8566 107.1267 60.3593 70.0211 175.5977 75 G 3.8258 8.0214 109.7608 45.5412 0.0000 174.9356 76 V 3.5926 7.5173 119.1697 65.9070 32.0222 177.3507 77 G 2.8207 7.8991 108.1533 48.4425 0.0000 176.2879 78 A 4.2586 7.7188 120.8123 52.5013 18.6792 179.0765 *80 L 4.2252 8.1325 120.1729 56.3999 43.7572 179.4398 81 A 4.1390 8.3882 120.1157 55.2937 18.3490 179.6457 82 L 4.0364 8.3141 117.8671 58.1598 41.5403 179.4760 83 N 4.6045 7.5364 112.6414 55.5437 38.5609 176.8551 84 S 4.3715 7.9303 115.3299 58.9102 63.5826 173.8292 85 F 4.7144 7.4879 121.1754 54.3688 40.9151 173.5846 86 P 4.1539 0.0000 0.0000 64.2363 31.4213 176.6954 87 G 3.8667 8.8500 107.8443 45.8075 0.0000 173.1226 88 V 4.3271 7.3764 118.3690 60.6814 33.6877 174.9767 89 V 4.3018 9.2188 127.9597 61.4225 33.5648 173.5972 90 C 4.8331 8.6661 128.9706 57.4204 33.2066 173.7637 91 G 3.5233 8.3011 114.4866 45.4012 0.0000 171.1703 92 L 5.6779 8.3180 120.2986 51.9225 44.7344 175.3903 93 A 4.7595 8.4638 126.3112 50.4456 21.6016 175.9389 94 V 4.2030 8.8734 113.3257 60.9094 34.1022 175.7920 95 D 4.9087 7.7128 118.3736 49.9603 43.8777 174.3855 96 P 4.1986 0.0000 0.0000 66.1507 31.1880 179.1440 97 T 3.9182 7.8751 113.9817 66.5570 68.2914 176.1505 98 D 4.3772 8.9949 121.1164 57.4677 40.9400 178.8423 99 A 4.0192 7.8583 120.6986 55.1597 18.3614 179.0758 100 Y 4.0995 8.1731 118.0038 60.9554 38.8689 178.1975 101 L 3.7855 8.3075 120.3073 57.7869 41.5641 178.7841 102 Y 4.1125 8.2967 119.9448 60.9035 38.5280 178.5804 103 S 3.8654 7.7072 113.4012 61.1665 63.3163 175.8668 104 Q 4.0450 7.5093 120.7456 57.7922 28.5601 178.0832 105 I 3.9873 7.6759 119.9438 63.7881 37.1501 177.3997 106 N 4.5616 7.7816 116.1904 54.4361 38.9554 177.1857 107 G 3.6288 7.5168 106.3731 46.2936 0.0000 174.3130 108 G 4.1031 7.0436 106.1168 44.4960 0.0000 174.0884 109 N 5.1633 8.7155 115.5778 52.5023 38.7201 173.9334 110 A 4.1854 7.8881 120.0856 50.7662 23.4083 175.4485 111 L 4.8250 8.8052 121.0877 53.5611 46.0992 174.8550 112 S 5.1967 8.9406 120.9296 56.7101 65.0689 172.7080 113 I 4.9630 7.9040 125.4135 58.4392 41.3869 172.8872 114 P 4.3595 0.0000 0.0000 63.2810 31.4727 175.5883 115 Y 4.7328 8.5510 120.5402 58.0067 38.6959 175.5002 116 A 4.4812 7.9577 120.5497 53.4193 21.0756 176.3529 117 K 4.2467 8.0440 116.4799 57.6369 32.4137 177.3419 118 G 3.9187 8.9463 113.7723 45.8336 0.0000 173.7772 119 F 4.5654 8.1709 123.0316 56.3308 38.9305 176.2759 120 G 4.2567 7.5113 120.9068 44.4808 0.0000 171.2458 121 W 4.3833 8.9388 135.0000 58.3303 31.1567 176.3070 122 G 3.5465 8.6125 112.5744 45.8397 0.0000 174.8530 123 A 3.6425 7.3886 123.0623 54.7106 18.0085 179.9730 124 E 3.9278 7.8205 115.7634 59.1607 29.8342 179.1510 125 L 3.8884 7.6850 119.5943 57.9929 41.5181 179.3699 126 T 3.7437 7.2143 113.8931 66.5302 68.4638 176.2108 127 L 3.8507 7.6349 119.5079 57.8834 41.9848 179.5095 128 K 4.3248 8.0564 118.1128 59.2192 32.0029 179.5821 129 L 4.3104 7.7700 119.6440 55.4051 41.9975 178.6860 *131 F 4.9580 8.0710 117.6508 57.1678 40.7606 176.9476 132 E 4.0459 8.5681 121.2290 59.4721 29.5201 179.2809 133 R 4.0444 7.9846 116.2139 59.0191 30.3896 177.8344 134 L 3.9366 8.0565 118.6744 57.6181 42.2313 177.4094 135 F 4.9790 7.7754 114.3351 57.0844 39.5135 177.3266 136 A 4.0824 7.8584 124.6796 54.6354 18.3433 178.1481 137 E 4.9053 7.5072 110.1266 54.0434 33.8847 177.1258 138 E 4.2991 8.7130 118.0097 55.9202 28.5305 178.7777 *140 G 3.9206 8.6818 107.6464 44.8715 0.0000 173.4265 141 G 3.5908 7.5391 108.6808 46.4544 0.0000 175.0663 142 G 3.9554 8.5754 107.4287 46.1407 0.0000 172.4575 143 Y 4.5732 8.5224 122.7915 54.5470 41.5377 173.4848 144 P 3.8781 0.0000 0.0000 61.8588 32.6566 177.2566 145 R 3.9269 8.4555 116.9474 59.4626 29.9763 179.2336 146 E 4.0364 8.0756 115.7273 58.5895 29.7888 177.6094 147 R 4.4850 7.8695 117.2492 55.8403 30.7184 178.3380 148 V 3.6087 7.7391 120.9348 65.0675 31.0503 178.2306 149 I 3.6750 7.7295 120.2154 63.5799 37.0467 176.3485 150 P 4.2235 0.0000 0.0000 66.1141 31.0002 178.2247 151 E 3.9621 8.1886 118.2214 59.2977 29.3430 179.2835 152 Q 4.0154 8.4615 118.5605 58.7245 28.6466 178.8121 153 R 3.8615 8.1761 120.0704 59.5808 30.1050 178.3992 154 N 4.3442 8.3624 116.1281 56.2119 38.5800 177.2824 155 A 3.9884 8.0875 122.2628 55.0825 18.4485 179.7198 156 R 3.8493 8.2401 117.3584 59.6614 30.1168 178.8195 157 I 3.7166 8.1578 120.0964 64.1400 37.0244 177.9918 158 L 3.9537 8.2807 121.6078 58.4491 41.9194 178.9413 159 N 4.4156 8.0674 115.7465 56.2663 38.2280 177.2525 160 E 3.9600 8.1039 119.1408 59.3491 29.7833 179.2508 161 V 3.7332 8.1115 118.5045 66.1091 31.6047 178.0762 162 K 4.0254 8.4067 119.8602 59.0719 31.6325 179.1817 163 Q 4.0803 7.9513 117.3077 58.6031 28.5980 178.3433 164 I 4.1108 7.6881 120.2305 63.6323 37.6157 177.7559 165 T 4.0738 7.7997 109.0716 62.4183 69.1845 173.6557 166 H 4.8957 7.2230 118.5838 53.4934 30.8456 174.3165 167 N 4.4654 8.5732 120.7898 53.2607 39.2660 174.7041 168 D 4.6028 8.3443 119.7524 52.9000 40.4829 177.7092 169 L 3.9368 8.3741 120.0839 56.0401 41.8759 179.0881 *171 T 4.2260 8.0870 115.0990 63.2238 70.5734 176.3148 172 I 3.6604 7.8282 121.9174 64.6197 36.8969 178.5444 173 L 4.1381 8.0621 118.5278 57.7350 41.4483 179.4867 174 K 4.3600 7.6867 118.6646 58.3743 32.1537 178.5716 175 I 4.0948 7.5152 118.9183 62.1354 37.9103 176.5397 176 I 3.7281 7.3425 118.9632 60.5845 38.6308 175.3626 177 D 4.3978 8.5709 123.7554 55.0657 42.0572 177.6247 178 Q 4.1408 8.7956 125.7612 58.7699 28.8039 178.4257 179 D 4.3246 8.0838 119.9459 57.1978 41.0407 178.0129 180 F 4.0399 8.6450 121.2340 61.2908 39.4592 176.9599 181 L 3.8726 8.2289 119.7148 58.0046 41.6236 178.7210 182 K 3.8432 8.1249 119.5790 59.7300 31.9114 178.3665 183 D 4.3404 8.1182 118.1905 57.7130 40.7462 178.6847 184 T 3.7408 7.3139 115.5257 65.6023 68.3200 175.7754 185 I 3.2449 7.0584 112.3373 60.5181 37.7761 177.3261 186 S 4.2669 7.4552 115.1457 59.7477 63.5380 174.8720 187 G 3.7655 7.1107 113.5823 45.0393 0.0000 174.6555 188 K 3.7525 8.5703 122.7876 60.1751 32.3824 179.1636 189 Y 3.6202 7.3600 117.3077 60.1784 37.7525 177.5562 190 F 4.2350 8.2710 121.2015 61.6738 39.3354 177.0115 191 Q 4.4333 8.3602 116.3344 59.0036 27.9343 178.4165 192 E 4.1174 8.3322 120.3298 59.7049 29.6611 178.5065 193 Y 4.5325 8.1178 117.1590 60.7025 37.9060 177.7647 194 F 3.9180 8.3444 121.9796 61.4294 39.1835 177.3660 195 F 3.7438 7.8276 115.2205 60.2748 38.8158 177.1157 196 E 4.1259 7.6399 114.5418 58.6380 29.2141 177.5098 197 N 4.6890 7.5228 114.6442 53.1885 40.4280 174.4914 198 C 3.9047 7.5447 119.2806 59.7172 31.6991 173.1343 199 Q 4.3385 8.8241 124.7935 55.7027 29.2509 175.6857 200 D 4.7816 7.5570 118.8104 52.2777 42.2918 175.6696 201 D 4.4516 8.5017 128.5054 56.1549 39.5865 177.9877 202 E 3.9605 8.2640 120.5295 59.1488 29.7036 178.9577 203 V 3.7282 8.0904 117.6087 65.9597 31.7458 177.5407 204 A 4.4651 8.2354 120.3742 55.4881 18.0487 179.5010 205 A 4.0787 8.2020 118.0937 55.4534 18.5906 178.9467 206 Y 4.1909 8.1728 117.6920 60.8814 38.7025 178.0708 207 L 4.1686 8.2647 118.8505 57.0298 41.9329 177.4496 208 K 4.1068 8.2321 123.6321 56.6941 32.2713 176.1123 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 0 A 8.26 4.39 1.28 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 0.00 0.00 *2 K 8.22 4.43 0.00 1.78 1.94 0.00 1.58 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.70 1.55 7.81 3 I 9.41 5.17 1.94 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 1.08 0.79 1.16 0.00 0.00 4 A 9.28 5.49 1.35 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 0.00 0.00 0.00 0.00 0.00 5 L 9.17 5.26 0.00 1.88 1.71 1.10 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 6 I 8.88 4.95 1.95 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.24 1.02 0.00 0.00 7 N 8.90 5.19 0.00 2.63 2.76 0.00 0.00 7.10 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 8 E 8.50 4.59 0.00 2.29 2.27 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 2.39 2.63 0.00 9 N 8.75 4.46 0.00 2.86 2.95 0.00 0.00 7.21 7.17 0.00 0.00 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 S 8.55 4.15 0.00 4.01 4.06 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 0.00 0.00 0.00 11 Q 8.21 4.50 0.00 2.18 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.79 0.00 0.00 0.00 0.00 0.00 2.53 2.60 0.00 12 A 7.88 4.02 1.35 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 0.00 0.00 0.00 0.00 0.00 13 S 8.06 4.20 0.00 4.01 4.03 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 14 K 7.98 4.32 0.00 1.75 1.60 0.00 1.26 0.00 0.00 0.61 0.00 0.00 2.63 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.30 1.24 7.81 15 N 8.25 4.20 0.00 2.77 3.06 0.00 0.00 6.84 7.51 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 16 H 8.39 4.21 0.00 3.42 3.54 0.00 5.51 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 I 7.32 3.68 2.03 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.08 1.08 0.00 0.00 18 I 7.83 3.85 1.75 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.60 0.94 0.00 0.00 19 Y 8.72 3.98 0.00 3.08 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.41 4.39 0.00 2.99 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 21 S 8.19 4.20 0.00 4.34 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.12 3.45 0.00 1.10 1.49 0.25 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 23 K 8.12 3.85 0.00 1.03 1.41 0.00 1.55 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.06 7.81 24 E 7.90 3.84 0.00 2.01 2.12 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 2.31 2.31 0.00 25 A 7.65 4.00 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 26 T 8.05 3.56 4.14 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 1.06 0.00 0.00 27 D 8.32 4.22 0.00 2.66 2.68 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 28 K 7.44 3.82 0.00 1.75 1.93 0.00 1.77 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.43 7.81 29 K 7.49 3.88 0.00 0.79 0.74 0.00 1.63 0.00 0.00 1.62 0.00 0.00 3.00 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.29 0.98 7.81 30 G 7.26 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 31 Y 7.69 4.73 0.00 2.57 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 32 Q 8.49 4.39 0.00 2.08 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.89 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 33 L 8.20 4.99 0.00 1.47 1.38 1.01 0.18 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 34 F 9.55 4.42 0.00 3.02 2.52 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 0.00 0.00 0.00 0.00 0.00 0.00 62 T 7.83 4.24 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 1.42 0.00 0.00 63 K 7.94 3.91 0.00 1.93 1.92 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.18 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.36 1.36 7.81 64 A 7.82 4.12 1.22 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 0.00 0.00 65 V 7.21 4.53 2.28 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 0.67 0.00 0.00 0.87 0.00 0.00 66 D 8.85 4.80 0.00 2.62 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 67 F 8.03 5.01 0.00 3.20 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 68 V 8.09 4.83 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 0.96 0.00 0.00 0.85 0.00 0.00 69 V 9.11 4.89 2.29 0.00 0.00 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 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0.00 0.00 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 I 7.90 4.96 1.45 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 1.19 1.29 0.75 0.00 0.00 114 P 0.00 4.36 0.00 2.20 2.06 0.00 3.70 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.93 0.00 115 Y 8.55 4.73 0.00 2.77 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 0.00 116 A 7.96 4.48 1.27 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 0.00 0.00 0.00 117 K 8.04 4.25 0.00 1.75 1.75 0.00 1.90 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.54 7.81 118 G 8.95 3.92 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 0.00 0.00 0.00 119 F 8.17 4.57 0.00 3.08 3.12 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 0.00 120 G 7.51 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 0.00 0.00 0.00 0.00 121 W 8.94 4.38 0.00 3.18 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 G 8.61 3.55 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 0.00 0.00 0.00 123 A 7.39 3.64 0.02 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 0.00 0.00 124 E 7.82 3.93 0.00 2.20 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 2.31 2.33 0.00 125 L 7.68 3.89 0.00 1.72 1.64 0.69 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 126 T 7.21 3.74 4.23 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 1.11 0.00 0.00 127 L 7.63 3.85 0.00 1.80 1.79 1.30 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 128 K 8.06 4.32 0.00 1.97 2.01 0.00 1.66 0.00 0.00 1.91 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.66 7.81 129 L 7.77 4.31 0.00 1.84 1.71 0.88 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 *131 F 8.07 4.96 0.00 3.24 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 0.00 132 E 8.57 4.05 0.00 2.05 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 2.33 2.33 0.00 133 R 7.98 4.04 0.00 1.88 2.08 0.00 3.36 0.00 0.00 3.07 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.68 0.00 134 L 8.06 3.94 0.00 1.41 1.40 0.92 0.32 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 0.00 135 F 7.78 4.98 0.00 3.11 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 0.00 136 A 7.86 4.08 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 E 7.51 4.91 0.00 2.27 1.90 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 2.33 2.38 0.00 138 E 8.71 4.30 0.00 2.04 1.80 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 2.40 2.37 0.00 *140 G 8.68 3.92 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 0.00 0.00 0.00 141 G 7.54 3.59 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 0.00 142 G 8.58 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 0.00 143 Y 8.52 4.57 0.00 2.93 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 P 0.00 3.88 0.00 2.22 1.66 0.00 3.53 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.72 0.00 145 R 8.46 3.93 0.00 1.94 2.02 0.00 3.25 0.00 0.00 3.40 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.74 0.00 146 E 8.08 4.04 0.00 1.87 1.98 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 2.28 2.37 0.00 147 R 7.87 4.48 0.00 1.96 1.88 0.00 3.09 0.00 0.00 3.17 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.44 0.00 148 V 7.74 3.61 2.22 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 1.00 0.00 0.00 1.01 0.00 0.00 149 I 7.73 3.68 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.91 0.91 0.00 0.00 150 P 0.00 4.22 0.00 2.25 2.31 0.00 3.74 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.05 0.00 151 E 8.19 3.96 0.00 2.05 2.02 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 2.33 2.45 0.00 152 Q 8.46 4.02 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 153 R 8.18 3.86 0.00 1.91 2.08 0.00 3.09 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 154 N 8.36 4.34 0.00 2.81 2.85 0.00 0.00 6.96 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 A 8.09 3.99 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 0.00 156 R 8.24 3.85 0.00 1.89 2.14 0.00 3.11 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.67 0.00 157 I 8.16 3.72 1.88 0.00 0.00 0.86 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 0.71 0.92 0.00 0.00 158 L 8.28 3.95 0.00 1.82 1.89 0.95 0.64 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 0.00 159 N 8.07 4.42 0.00 2.96 2.86 0.00 0.00 7.07 7.69 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 0.00 160 E 8.10 3.96 0.00 2.10 2.02 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 2.35 2.48 0.00 161 V 8.11 3.73 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 1.11 0.00 0.00 0.99 0.00 0.00 162 K 8.41 4.03 0.00 2.06 1.96 0.00 1.79 0.00 0.00 1.79 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.60 1.53 7.81 163 Q 7.95 4.08 0.00 2.27 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.86 0.00 0.00 0.00 0.00 0.00 2.63 2.56 0.00 164 I 7.69 4.11 2.01 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.51 0.90 0.00 0.00 165 T 7.80 4.07 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 1.22 0.00 0.00 166 H 7.22 4.90 0.00 3.24 3.21 0.00 5.67 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 0.00 167 N 8.57 4.47 0.00 2.65 2.74 0.00 0.00 7.03 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 0.00 168 D 8.34 4.60 0.00 2.83 2.80 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 0.00 169 L 8.37 3.94 0.00 1.79 1.70 1.01 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 *171 T 8.09 4.23 4.40 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 1.18 0.00 0.00 172 I 7.83 3.66 2.11 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.80 1.02 0.00 0.00 173 L 8.06 4.14 0.00 1.41 1.87 0.99 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 174 K 7.69 4.36 0.00 1.75 1.83 0.00 1.61 0.00 0.00 0.61 0.00 0.00 2.97 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.24 0.75 7.81 175 I 7.52 4.09 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.59 0.89 0.00 0.00 176 I 7.34 3.73 2.09 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.66 1.09 0.00 0.00 177 D 8.57 4.40 0.00 2.79 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 0.00 178 Q 8.80 4.14 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.70 0.00 0.00 0.00 0.00 0.00 2.51 2.44 0.00 179 D 8.08 4.32 0.00 2.92 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 0.00 180 F 8.65 4.04 0.00 3.22 3.21 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 0.00 181 L 8.23 3.87 0.00 1.94 1.72 0.90 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 182 K 8.12 3.84 0.00 1.89 1.95 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.45 7.81 183 D 8.12 4.34 0.00 2.68 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 0.00 184 T 7.31 3.74 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 0.93 0.00 0.00 185 I 7.06 3.24 1.25 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.76 0.15 0.00 0.00 186 S 7.46 4.27 0.00 4.05 4.14 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 0.00 187 G 7.11 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 0.00 188 K 8.57 3.75 0.00 1.69 1.82 0.00 1.16 0.00 0.00 1.18 0.00 0.00 2.46 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.49 0.21 7.81 189 Y 7.36 3.62 0.00 2.99 2.38 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 0.00 190 F 8.27 4.23 0.00 3.35 3.28 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 0.00 191 Q 8.36 4.43 0.00 2.29 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.74 0.00 0.00 0.00 0.00 0.00 2.89 2.63 0.00 192 E 8.33 4.12 0.00 2.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.41 0.00 193 Y 8.12 4.53 0.00 2.66 2.68 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 0.00 194 F 8.34 3.92 0.00 1.74 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 0.00 195 F 7.83 3.74 0.00 3.09 3.06 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 0.00 0.00 0.00 196 E 7.64 4.13 0.00 2.20 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 2.41 2.56 0.00 197 N 7.52 4.69 0.00 2.56 2.75 0.00 0.00 6.58 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 C 7.54 3.90 0.00 1.54 2.22 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 0.00 199 Q 8.82 4.34 0.00 2.15 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.63 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 200 D 7.56 4.78 0.00 2.70 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 0.00 201 D 8.50 4.45 0.00 3.02 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 0.00 202 E 8.26 3.96 0.00 2.12 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 0.00 2.36 2.36 0.00 203 V 8.09 3.73 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 1.06 0.00 0.00 204 A 8.24 4.47 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 0.00 205 A 8.20 4.08 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 0.00 206 Y 8.17 4.19 0.00 3.18 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 0.00 207 L 8.26 4.17 0.00 2.12 1.99 0.75 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 208 K 8.23 4.11 0.00 1.98 1.69 0.00 0.97 0.00 0.00 0.74 0.00 0.00 2.72 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.31 1.31 7.81 * Residues marked with a * may have inaccurate shift predictions.