NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 3.9991 8.1744 115.1973 61.3351 69.3275 173.7757 3 K 2.6852 6.8568 121.7816 54.3592 32.7810 174.3918 4 Y 4.3914 8.4106 124.3509 58.4296 38.5907 175.3422 5 H 4.3906 8.8017 123.5324 58.0923 29.2568 175.7177 6 D 4.7400 7.7857 116.4608 52.6514 44.0549 174.1131 7 L 4.3788 8.5542 126.3742 54.4610 42.2245 176.2021 8 K 4.3421 7.7419 116.0501 56.7738 33.7920 176.1865 9 N 4.1777 9.0795 116.4494 54.0236 36.8873 174.3667 10 K 4.4869 7.4258 117.5582 55.2151 34.5950 175.4953 11 V 4.4807 8.7190 123.6970 61.3909 33.4487 174.5354 12 I 4.8899 8.7899 128.8718 59.5109 40.4777 174.4655 13 V 4.6809 8.9834 128.0177 61.4657 33.4732 174.4739 14 I 5.0362 8.5945 128.3652 59.3203 40.1676 174.7098 15 A 4.3106 9.1945 131.1889 52.0116 19.5172 177.5560 16 G 4.1550 9.1415 112.6294 47.0876 0.0000 174.3359 17 G 3.9740 8.6210 105.5745 44.9793 0.0000 174.9275 18 I 4.3394 7.7810 113.5326 60.2661 39.4004 175.1544 19 K 4.7287 7.2526 118.8187 55.4286 36.7820 177.3767 20 N 4.2291 8.4720 116.4820 54.3505 37.3127 176.7897 21 L 4.0201 8.8166 125.6680 59.1555 41.8830 178.4229 22 G 4.2935 8.4742 106.2413 47.3753 0.0000 175.2673 23 A 4.1778 7.8330 123.5756 54.7124 18.4937 179.5278 24 L 3.9682 7.8092 119.0651 58.4806 42.2221 179.3454 25 T 3.8153 8.3937 116.0932 66.4430 68.3643 176.5442 26 A 4.2111 8.0562 122.8013 55.1944 18.2042 179.8943 27 K 4.0207 7.9533 116.1250 59.8553 32.1578 179.4675 28 T 3.9717 7.5609 114.8810 66.6147 68.4383 176.5139 29 F 4.6110 8.1509 119.2815 60.0714 38.7208 176.8738 30 A 4.4428 7.7597 117.5244 52.7150 18.1050 178.3413 31 L 4.0494 7.9467 119.7132 57.2835 42.0007 176.7018 32 E 4.6198 7.4676 116.6995 54.2730 32.5955 177.8299 33 S 4.8580 8.7183 117.2989 57.4436 61.3370 173.5761 34 V 4.5923 7.8644 122.5784 59.5601 35.4437 174.9496 35 N 4.5315 8.9348 120.2181 51.7897 39.9621 173.8368 36 L 5.0884 8.9165 125.7698 52.8462 44.2649 176.1057 37 V 4.9724 8.8561 124.8988 60.3060 33.5635 174.8077 38 L 5.0435 9.0713 126.9540 53.2218 43.5332 175.4986 39 H 5.8493 9.5490 124.9868 55.0813 31.9242 173.4981 40 Y 5.0130 7.4221 120.5147 55.9753 40.9691 175.6625 41 H 4.8532 9.1351 119.1586 58.2068 29.4679 175.7390 42 Q 4.5948 7.9824 118.0419 53.7507 30.3520 176.6561 43 A 4.1927 8.6201 125.8593 54.7942 18.6654 179.1530 44 K 4.2508 8.0190 113.4646 59.0253 33.2759 177.7205 45 D 4.7497 8.1659 120.3640 54.5079 40.7062 178.1728 46 S 3.9178 7.6605 117.4398 61.7078 62.8634 176.1933 47 D 4.3134 7.9651 121.8641 57.0914 40.6442 178.7487 48 T 3.7909 7.7232 115.8517 66.3470 68.5623 176.3261 49 A 3.8065 7.6913 122.6660 55.4293 18.3509 179.5715 50 N 4.4790 8.2658 114.8976 55.9264 38.4880 177.7394 51 K 3.9102 7.9773 121.3809 59.3504 32.3088 178.6873 52 L 3.9216 7.9611 120.6059 57.8909 42.0591 178.4584 53 K 3.8587 8.4361 120.0924 59.9530 31.9399 178.2208 54 D 4.4116 8.1415 119.0340 57.4171 40.4565 178.6622 55 E 4.1708 8.1055 117.5573 59.1111 29.8615 179.0269 56 L 4.0677 8.1852 120.0260 57.4819 41.5299 179.1349 57 E 4.6720 8.2871 120.0618 58.6025 29.1879 178.1770 58 D 4.6686 7.4674 115.2170 55.4029 41.2711 177.7050 59 Q 4.3077 7.5791 117.9717 56.4774 28.6728 176.5388 60 G 3.9047 8.0533 108.7639 45.0939 0.0000 172.4900 61 A 4.8279 7.8080 119.9338 49.7239 22.4366 176.4452 62 K 4.9154 8.4512 119.0101 55.1548 34.3863 176.2271 63 V 4.9885 8.7848 123.2369 61.3259 34.1941 174.2052 64 A 5.0127 9.6124 130.4110 50.3465 21.3642 175.2939 65 L 5.2216 8.7296 121.6365 53.8326 44.4366 176.1424 66 Y 4.1930 8.6613 123.4281 56.5280 41.5693 173.5322 67 Q 3.8606 7.5201 125.4380 55.0972 30.3288 174.9890 68 S 4.3195 7.6762 113.5113 57.8373 65.9763 176.5092 69 D 4.3084 9.0188 124.6264 55.3863 41.4528 176.3099 70 L 3.6997 7.8685 119.6384 56.4725 39.9333 173.7608 71 S 4.7838 8.7527 111.1379 57.6751 65.6629 174.3464 72 N 5.2667 7.8996 117.8599 50.1996 41.6711 174.4376 73 E 3.4273 8.1017 119.7906 58.9377 29.3968 178.1105 74 E 3.8432 7.9760 118.9533 59.4420 29.6683 178.6080 75 E 4.0641 8.7583 118.8240 59.2000 29.2690 179.6110 76 V 3.6603 7.8586 117.9504 65.8766 31.6480 177.7258 77 A 4.1974 8.5389 120.8832 55.5208 18.2245 179.8983 78 K 3.9645 8.2042 116.5431 59.0596 32.0544 179.4753 79 L 2.9957 7.5709 121.0326 57.9929 42.0387 179.0506 80 F 4.0827 7.6744 117.2568 59.8724 38.7874 177.7047 81 D 4.3653 8.1595 119.0725 57.3897 40.4966 178.2963 82 F 3.9299 8.1304 120.8501 61.1700 39.2186 177.0526 83 A 3.9543 7.7637 120.0775 55.3392 17.7518 179.4910 84 E 4.3051 8.1797 118.4272 58.8983 29.2545 179.5656 85 K 3.8644 7.8541 118.9250 58.9975 32.2795 177.9191 86 E 3.9952 7.2401 117.0553 56.7995 30.1587 176.6983 87 F 4.8766 7.8573 113.6467 56.1186 41.2120 175.6674 88 G 3.8424 7.9879 108.9011 43.9639 0.0000 172.8324 89 K 4.1834 8.3450 117.2386 56.9092 32.6945 177.0288 90 V 3.9171 8.8523 122.8858 63.2432 32.4556 175.9685 91 D 4.8202 9.1877 125.7832 55.2916 43.6092 176.6086 92 I 5.1223 7.6001 118.1402 59.3986 41.3521 174.2522 93 A 5.3879 9.5084 129.0681 50.2101 21.8903 174.7166 94 I 4.8927 9.7117 124.0697 59.6777 40.4739 174.4931 95 N 4.4158 9.1956 128.2020 52.4736 38.8682 174.9274 96 T 4.3715 8.3174 117.5243 63.0039 70.3339 175.8787 97 V 4.5407 7.5320 118.9611 59.9410 34.7914 175.2458 98 G 4.1046 8.3539 113.5689 45.0323 0.0000 173.0070 99 K 4.0459 8.0192 121.2051 56.5025 33.5039 177.5353 100 V 4.2121 7.9531 115.0981 59.9254 33.2584 175.3967 101 L 4.3360 8.6055 121.7112 54.9143 41.7860 177.6859 102 K 4.5343 8.6864 120.7582 55.9312 33.4844 175.8687 103 K 4.6957 7.6177 119.1618 53.3224 35.1559 173.7006 104 P 4.7329 0.0000 0.0000 62.5763 32.2208 177.8070 105 I 3.8919 8.7112 122.5637 64.5642 37.3115 178.9347 106 V 3.7170 8.0510 118.8287 65.6094 31.3907 176.1198 107 E 4.5026 7.8542 116.2487 56.1436 29.5348 175.5137 108 T 4.4747 7.4586 116.4658 61.5601 70.7328 174.9498 109 S 4.6112 8.5177 121.4277 57.0183 66.3656 175.0683 110 E 4.1776 8.6194 121.1183 59.2537 29.3456 178.3574 111 A 4.0496 7.7252 120.0753 54.8535 18.1157 179.1698 112 E 4.0335 7.9851 115.0712 58.6554 30.0312 179.1581 113 F 4.2471 7.8250 119.1606 60.6318 39.0636 177.1050 114 D 4.3847 8.2562 117.4277 57.2349 40.9344 178.1353 115 A 4.0576 8.1882 121.4644 55.3337 18.3382 179.5525 116 M 4.1268 7.8120 116.9282 58.4720 31.9851 178.7374 117 D 4.4220 8.1025 119.1980 57.6213 41.0941 178.8561 118 T 3.9485 7.9403 116.2325 66.5717 68.4268 176.7962 119 I 3.7401 7.6277 121.2911 64.6489 37.2363 178.3027 120 N 4.4362 8.1953 117.2323 56.4315 38.3277 177.2930 121 N 4.5441 8.8144 118.4214 56.0547 38.6254 177.4526 122 K 3.5937 8.0254 120.8862 59.4328 32.2995 179.0839 123 V 3.8537 7.9999 118.3565 66.0576 31.4101 177.8690 124 A 4.1148 8.2255 120.6220 55.1360 18.2109 178.9040 125 Y 3.6553 7.8502 118.0917 60.9076 38.6774 178.5393 126 F 4.4571 8.0566 118.6158 60.2987 38.8856 177.4752 127 F 4.2071 8.8462 120.8936 61.3869 39.3466 177.1523 128 I 3.6550 7.8196 119.3414 64.2751 37.0712 178.2173 129 K 3.6629 7.5902 120.2320 59.7596 31.7750 178.7616 130 Q 3.9487 7.9655 116.6431 58.0334 28.9165 178.1473 131 A 2.5800 7.1033 121.9365 54.6046 18.1514 179.4733 132 A 3.8480 7.1558 117.2408 55.0477 18.5025 179.2007 133 K 4.0985 7.3352 114.6181 58.1860 32.5484 176.8082 134 H 5.1184 7.9037 115.2957 55.0029 30.6493 172.3567 135 M 5.1728 7.8395 117.4596 53.5111 34.3646 175.2738 136 N 4.6505 9.0758 123.1519 52.5631 39.5249 173.2639 137 P 4.4769 0.0000 0.0000 62.6811 32.4228 175.7003 138 N 4.2014 8.2157 115.8426 54.3986 36.5228 175.0791 139 G 4.1519 7.7210 105.3820 45.8121 0.0000 172.8637 140 H 5.4783 9.2141 116.5034 53.9490 32.4413 172.8865 141 I 5.1273 9.3129 124.8803 59.6595 39.9662 174.8338 142 I 5.1140 9.0382 126.8579 60.0186 41.1868 174.2140 143 T 4.9101 8.6261 123.7981 61.8121 71.0775 173.8162 144 I 4.3871 8.9305 127.8833 60.3744 37.5115 175.7916 145 A 4.5768 9.0824 131.9837 50.9849 19.3335 176.1620 146 T 4.6946 8.5151 111.2668 60.0456 71.9656 173.9433 147 S 4.7282 8.4248 117.3248 56.4160 65.0044 175.0461 148 L 3.7601 8.8035 129.7340 57.5415 41.4479 179.4060 149 L 3.7295 7.8602 120.3669 58.0099 42.0702 178.9141 150 A 3.8187 7.7061 120.1751 54.8894 17.9994 179.4962 151 A 3.8572 7.2658 120.0144 54.4830 18.3850 178.9610 152 Y 4.0110 7.0228 117.7110 60.6622 38.9536 177.3136 153 T 3.9017 7.6977 108.8865 62.1853 69.4215 175.8874 154 G 3.9668 7.8658 109.5228 45.3277 0.0000 174.5210 155 F 4.1975 7.1922 118.2485 56.5074 37.5595 173.9281 156 Y 4.4537 7.7969 121.2760 56.9399 39.2947 175.4383 157 S 4.8727 8.5562 118.4761 57.7095 64.7604 173.3774 158 T 3.4684 7.5302 114.5219 60.7288 67.7998 174.2498 *164 A 4.0639 8.0006 121.2294 50.8182 19.9653 175.1697 165 P 3.7616 0.0000 0.0000 66.0065 31.5282 179.1308 166 V 3.7599 7.6057 116.3912 65.9323 31.3419 177.7341 167 E 3.9638 8.0728 118.1059 59.4580 29.3138 178.6471 168 H 4.1974 7.8211 118.2488 59.4965 29.9724 177.0151 169 Y 4.3653 7.9377 118.9880 61.3348 37.7316 178.6841 170 T 3.9335 8.1846 116.8927 66.6094 68.4327 176.7970 171 R 3.8998 7.8724 120.4463 59.3045 30.2112 178.3990 172 A 4.0183 8.1117 120.5023 55.0694 18.4276 179.4693 173 A 4.0595 8.3057 119.5838 54.9456 18.2418 180.0280 174 S 4.0998 7.8521 112.2852 61.4336 63.1306 176.6227 175 K 4.0895 7.8377 122.1939 59.3959 31.6295 179.1884 176 E 4.1929 7.9761 116.8082 58.1908 29.6453 178.2622 177 L 4.5743 7.4184 117.2109 54.5502 42.1417 177.7461 178 M 3.9752 7.5458 119.9807 58.7176 31.9290 178.3053 179 K 3.9716 7.8998 118.2597 59.5346 32.8465 177.6082 180 Q 4.0979 8.0365 116.1304 56.5109 28.6802 175.9641 181 Q 3.5167 7.7577 116.3663 57.0195 26.5422 172.7145 182 I 4.7981 7.6112 118.4967 59.8196 38.6351 176.5782 183 S 4.4391 9.0201 124.7175 58.5319 64.1601 173.4567 184 V 4.7387 8.9582 124.4195 61.3522 34.0723 174.0110 185 N 5.5898 9.4055 124.3814 51.5733 43.6485 173.1371 186 A 5.1592 9.2608 120.5632 50.4586 23.2804 175.1098 187 I 4.7356 8.4995 120.3365 59.3943 40.5915 174.6528 188 A 5.0899 8.7219 129.5811 48.7251 20.1040 174.1846 189 P 4.7702 0.0000 0.0000 63.3178 32.5545 177.6669 190 G 3.8466 8.0843 108.9801 44.9562 0.0000 171.1644 191 P 4.2807 0.0000 0.0000 63.4377 32.1582 176.1756 192 M 5.0235 8.6647 122.3218 52.8096 35.5773 174.7163 193 D 4.6654 8.6623 118.6911 54.5502 42.3365 176.8020 194 T 4.0943 8.9469 122.2334 67.0782 68.4539 176.4789 195 S 4.2563 7.9897 114.6010 61.9963 62.3888 176.8946 196 F 4.1582 7.9405 120.8948 59.6260 38.5295 176.8702 197 F 4.5151 8.1745 115.4894 58.4228 39.2499 176.5950 198 Y 4.4182 7.8676 117.0571 57.5688 38.9766 174.6551 199 G 3.6714 7.6415 107.6099 46.2926 0.0000 171.4274 200 Q 4.3203 7.5424 118.0432 56.7616 32.3309 177.3684 201 E 3.9068 7.3928 119.6227 55.8050 29.7978 176.1674 *214 M 4.1755 8.3165 113.8049 55.3207 32.1175 174.7624 215 G 3.9955 8.3181 109.0618 43.9938 0.0000 172.2593 216 N 4.7862 8.3850 115.8334 51.8442 40.1161 174.4053 217 Q 3.7726 8.3480 121.7686 55.3696 28.9277 175.3624 218 L 4.7098 7.3373 117.7126 53.6176 43.4372 176.6714 219 T 4.0591 8.8489 120.4391 63.6477 69.6430 173.6505 220 K 4.6794 8.6451 127.1119 54.6677 34.6233 177.1845 221 I 3.6549 8.1599 118.5333 63.9137 37.3113 178.0739 222 E 4.0587 8.1310 118.8268 58.4910 29.4052 177.6932 223 D 4.6281 7.7154 117.2072 55.0770 41.5307 177.6678 224 I 4.1514 7.3371 119.4871 62.7869 38.3553 177.3045 225 A 3.9617 7.9269 121.9038 54.7580 18.2521 177.8581 226 P 4.3182 0.0000 0.0000 65.3152 31.4498 178.6269 227 I 3.8853 7.6022 120.4144 64.2295 36.5043 178.1601 228 I 3.7577 7.6959 120.2622 64.3306 37.1631 178.1676 229 K 3.8082 7.7718 119.9899 59.3115 31.9855 178.4426 230 F 4.3911 8.1884 122.2128 60.9197 39.1331 176.9915 231 L 3.9114 8.0012 117.3467 57.9237 41.5300 179.1472 232 T 3.8734 7.6363 107.1009 61.4459 69.5415 175.0689 233 T 4.3356 7.6956 109.1145 62.2031 69.3206 175.5718 234 D 4.6183 9.3591 123.8496 55.9843 42.2382 177.0613 235 G 3.3137 7.5709 108.5930 44.5183 0.0000 175.6892 236 W 4.4182 7.6678 118.2725 58.6463 27.9274 177.0355 237 W 3.6968 7.1695 126.9129 58.3490 30.3987 175.7422 238 I 3.8264 7.4666 119.8457 61.1728 36.6462 174.9078 239 N 4.8140 8.0615 123.3089 53.1708 41.7887 174.1521 240 G 3.8902 8.8199 112.8087 45.7316 0.0000 172.7838 241 Q 4.7000 8.4008 118.4043 54.1126 31.8504 174.8527 242 T 4.8117 8.3717 119.2489 62.0922 70.1422 174.0485 243 I 4.1828 8.7024 129.0734 60.2344 38.7659 175.1283 244 F 4.9317 8.9489 126.3860 56.4250 40.1266 175.6233 245 A 4.7783 8.9242 127.3597 49.9745 20.2374 175.6227 246 N 4.9146 7.7053 114.2225 51.0334 39.1313 176.6831 247 G 3.7455 8.8816 106.3009 46.0042 0.0000 174.6576 248 G 3.6483 8.6983 108.1668 44.9290 0.0000 173.2223 249 Y 4.5162 7.2661 118.0565 57.2941 38.1741 175.5650 250 T 4.3651 8.4421 120.9131 63.7819 69.7635 173.9686 251 T 4.8108 7.3657 114.4301 60.6609 70.7310 173.3080 252 R 4.1717 8.2685 119.5143 56.3691 29.6145 174.8999 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 T 8.17 4.00 4.12 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 1.01 0.00 0.00 3 K 6.86 2.69 0.00 0.79 1.10 0.00 1.84 0.00 0.00 1.53 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.03 1.02 7.81 4 Y 8.41 4.39 0.00 2.96 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 5 H 8.80 4.39 0.00 3.12 3.37 0.00 5.85 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 D 7.79 4.74 0.00 2.58 2.46 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 0.00 7 L 8.55 4.38 0.00 1.66 1.87 0.83 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 8 K 7.74 4.34 0.00 1.84 1.89 0.00 1.77 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.54 1.36 7.81 9 N 9.08 4.18 0.00 2.79 2.91 0.00 0.00 6.92 8.27 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 10 K 7.43 4.49 0.00 1.56 1.45 0.00 1.15 0.00 0.00 1.20 0.00 0.00 2.41 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.23 1.28 7.81 11 V 8.72 4.48 2.17 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 1.08 0.00 0.00 0.95 0.00 0.00 12 I 8.79 4.89 1.63 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.36 0.59 0.00 0.00 13 V 8.98 4.68 2.25 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 0.78 0.00 0.00 0.93 0.00 0.00 14 I 8.59 5.04 1.99 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 1.32 0.76 1.02 0.00 0.00 15 A 9.19 4.31 1.25 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 0.00 0.00 0.00 0.00 0.00 0.00 16 G 9.14 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 17 G 8.62 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 0.00 0.00 0.00 18 I 7.78 4.34 1.74 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.73 0.91 0.00 0.00 19 K 7.25 4.73 0.00 1.91 1.90 0.00 1.70 0.00 0.00 1.84 0.00 0.00 2.93 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.42 1.49 7.81 20 N 8.47 4.23 0.00 3.05 2.58 0.00 0.00 6.43 6.74 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 21 L 8.82 4.02 0.00 1.62 1.62 0.87 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 22 G 8.47 4.29 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 A 7.83 4.18 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 24 L 7.81 3.97 0.00 1.74 1.84 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.39 3.82 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 1.33 0.00 0.00 26 A 8.06 4.21 1.46 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 0.00 0.00 0.00 27 K 7.95 4.02 0.00 1.91 1.90 0.00 1.84 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.59 7.81 28 T 7.56 3.97 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 1.00 0.00 0.00 29 F 8.15 4.61 0.00 3.27 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 30 A 7.76 4.44 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.95 4.05 0.00 1.68 1.76 0.92 0.90 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 32 E 7.47 4.62 0.00 1.82 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 2.26 2.29 0.00 33 S 8.72 4.86 0.00 3.75 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 V 7.86 4.59 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 0.81 0.00 0.00 0.84 0.00 0.00 35 N 8.93 4.53 0.00 2.09 1.42 0.00 0.00 7.09 6.60 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 36 L 8.92 5.09 0.00 1.66 1.62 1.02 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 37 V 8.86 4.97 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 0.95 0.00 0.00 1.14 0.00 0.00 38 L 9.07 5.04 0.00 1.74 1.75 1.03 1.05 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 39 H 9.55 5.85 0.00 3.28 3.39 0.00 5.60 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 Y 7.42 5.01 0.00 2.95 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 41 H 9.14 4.85 0.00 3.23 3.44 0.00 5.73 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 42 Q 7.98 4.59 0.00 2.36 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.89 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 43 A 8.62 4.19 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 K 8.02 4.25 0.00 1.89 1.97 0.00 1.60 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.42 1.41 7.81 45 D 8.17 4.75 0.00 2.94 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 46 S 7.66 3.92 0.00 4.13 4.35 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 47 D 7.97 4.31 0.00 2.76 2.72 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 48 T 7.72 3.79 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 1.16 0.00 0.00 49 A 7.69 3.81 0.77 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 50 N 8.27 4.48 0.00 2.80 2.87 0.00 0.00 6.72 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 51 K 7.98 3.91 0.00 1.91 1.99 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.44 7.81 52 L 7.96 3.92 0.00 1.79 1.79 0.94 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 53 K 8.44 3.86 0.00 1.92 2.01 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.58 7.81 54 D 8.14 4.41 0.00 3.02 2.71 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 55 E 8.11 4.17 0.00 2.19 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 2.53 2.36 0.00 56 L 8.19 4.07 0.00 1.90 1.79 0.97 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.29 4.67 0.00 2.17 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 2.52 2.39 0.00 58 D 7.47 4.67 0.00 2.85 2.72 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 59 Q 7.58 4.31 0.00 2.17 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.02 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 60 G 8.05 3.90 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 0.00 0.00 0.00 61 A 7.81 4.83 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 62 K 8.45 4.92 0.00 1.60 1.95 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.59 7.81 63 V 8.78 4.99 2.18 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 0.86 0.00 0.00 0.99 0.00 0.00 64 A 9.61 5.01 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 65 L 8.73 5.22 0.00 1.70 1.88 0.99 0.87 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 66 Y 8.66 4.19 0.00 2.45 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 67 Q 7.52 3.86 0.00 0.93 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.61 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 68 S 7.68 4.32 0.00 3.57 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 69 D 9.02 4.31 0.00 2.72 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 70 L 7.87 3.70 0.00 1.68 1.71 0.90 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 71 S 8.75 4.78 0.00 4.06 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 72 N 7.90 5.27 0.00 2.94 2.99 0.00 0.00 5.91 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 73 E 8.10 3.43 0.00 1.16 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.75 0.00 74 E 7.98 3.84 0.00 2.02 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 2.38 2.39 0.00 75 E 8.76 4.06 0.00 2.28 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 2.35 2.33 0.00 76 V 7.86 3.66 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 1.21 0.00 0.00 77 A 8.54 4.20 1.39 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 0.00 0.00 0.00 78 K 8.20 3.96 0.00 2.05 1.98 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.59 7.81 79 L 7.57 3.00 0.00 1.56 1.63 0.68 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 80 F 7.67 4.08 0.00 2.71 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 81 D 8.16 4.37 0.00 2.85 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 82 F 8.13 3.93 0.00 2.82 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 83 A 7.76 3.95 1.39 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 0.00 0.00 0.00 84 E 8.18 4.31 0.00 2.31 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 2.37 2.29 0.00 85 K 7.85 3.86 0.00 1.75 1.72 0.00 1.60 0.00 0.00 1.37 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.53 7.81 86 E 7.24 4.00 0.00 1.16 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 1.69 1.47 0.00 87 F 7.86 4.88 0.00 2.97 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 88 G 7.99 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 0.00 0.00 0.00 89 K 8.35 4.18 0.00 1.82 1.82 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.71 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.45 1.44 7.81 90 V 8.85 3.92 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 1.03 0.00 0.00 1.09 0.00 0.00 91 D 9.19 4.82 0.00 2.66 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 92 I 7.60 5.12 1.68 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 1.39 0.81 0.85 0.00 0.00 93 A 9.51 5.39 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 94 I 9.71 4.89 2.02 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.37 1.01 0.00 0.00 95 N 9.20 4.42 0.00 1.44 2.31 0.00 0.00 6.45 6.98 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 96 T 8.32 4.37 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 1.24 0.00 0.00 97 V 7.53 4.54 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 0.78 0.00 0.00 0.93 0.00 0.00 98 G 8.35 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 0.00 0.00 0.00 99 K 8.02 4.05 0.00 1.82 1.79 0.00 1.63 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.44 7.81 100 V 7.95 4.21 2.33 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 0.79 0.00 0.00 1.04 0.00 0.00 101 L 8.61 4.34 0.00 1.79 1.92 0.83 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 102 K 8.69 4.53 0.00 1.72 1.84 0.00 1.79 0.00 0.00 1.66 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.49 7.81 103 K 7.62 4.70 0.00 1.64 1.61 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.28 1.39 7.81 104 P 0.00 4.73 0.00 2.27 2.03 0.00 3.78 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.10 0.00 105 I 8.71 3.89 2.06 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 1.40 0.80 1.18 0.00 0.00 106 V 8.05 3.72 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 0.87 0.00 0.00 1.02 0.00 0.00 107 E 7.85 4.50 0.00 2.09 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 2.29 2.29 0.00 108 T 7.46 4.47 3.48 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 0.11 0.00 0.00 109 S 8.52 4.61 0.00 4.03 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 0.00 110 E 8.62 4.18 0.00 2.20 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.75 0.00 111 A 7.73 4.05 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 0.00 112 E 7.99 4.03 0.00 1.99 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 2.23 2.35 0.00 113 F 7.83 4.25 0.00 3.17 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 0.00 114 D 8.26 4.38 0.00 2.88 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 0.00 115 A 8.19 4.06 1.39 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 0.00 0.00 0.00 116 M 7.81 4.13 0.00 2.16 2.37 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.59 0.00 117 D 8.10 4.42 0.00 2.96 2.75 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 0.00 118 T 7.94 3.95 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 1.23 0.00 0.00 119 I 7.63 3.74 1.92 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 1.57 0.82 0.98 0.00 0.00 120 N 8.20 4.44 0.00 2.94 2.94 0.00 0.00 7.12 6.96 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 0.00 121 N 8.81 4.54 0.00 2.97 3.14 0.00 0.00 6.62 7.16 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 0.00 122 K 8.03 3.59 0.00 2.03 1.83 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.04 1.13 7.81 123 V 8.00 3.85 2.19 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 1.26 0.00 0.00 1.22 0.00 0.00 124 A 8.23 4.11 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 Y 7.85 3.66 0.00 1.79 2.50 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 0.00 126 F 8.06 4.46 0.00 3.40 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 0.00 127 F 8.85 4.21 0.00 3.38 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 0.00 128 I 7.82 3.66 1.88 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 1.50 1.01 0.85 0.00 0.00 129 K 7.59 3.66 0.00 1.42 1.77 0.00 1.57 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.33 1.34 7.81 130 Q 7.97 3.95 0.00 1.85 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.72 0.00 0.00 0.00 0.00 0.00 2.49 2.59 0.00 131 A 7.10 2.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 A 7.16 3.85 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 0.00 133 K 7.34 4.10 0.00 1.87 1.73 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.39 7.81 134 H 7.90 5.12 0.00 3.06 3.26 0.00 5.82 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 M 7.84 5.17 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.52 0.00 136 N 9.08 4.65 0.00 2.75 2.76 0.00 0.00 7.02 7.92 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 0.00 137 P 0.00 4.48 0.00 1.94 1.98 0.00 3.86 0.00 0.00 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.96 0.00 138 N 8.22 4.20 0.00 2.90 2.68 0.00 0.00 6.89 7.53 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 0.00 139 G 7.72 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 H 9.21 5.48 0.00 3.14 3.27 0.00 5.58 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 I 9.31 5.13 1.93 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 1.24 0.83 1.09 0.00 0.00 142 I 9.04 5.11 1.99 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.82 0.97 0.00 0.00 143 T 8.63 4.91 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 1.22 0.00 0.00 144 I 8.93 4.39 2.02 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 1.30 0.75 0.89 0.00 0.00 145 A 9.08 4.58 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 0.00 146 T 8.52 4.69 4.58 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 1.34 0.00 0.00 147 S 8.42 4.73 0.00 3.89 3.70 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 0.00 148 L 8.80 3.76 0.00 1.99 1.76 1.07 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 149 L 7.86 3.73 0.00 1.74 1.80 0.99 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 150 A 7.71 3.82 1.18 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 0.00 0.00 151 A 7.27 3.86 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 0.00 152 Y 7.02 4.01 0.00 1.88 2.61 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 0.00 153 T 7.70 3.90 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 1.14 0.00 0.00 154 G 7.87 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 0.00 0.00 0.00 155 F 7.19 4.20 0.00 2.96 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 0.00 156 Y 7.80 4.45 0.00 3.25 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 0.00 157 S 8.56 4.87 0.00 3.92 3.90 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 0.00 158 T 7.53 3.47 4.08 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 1.04 0.00 0.00 *164 A 8.00 4.06 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 0.00 165 P 0.00 3.76 0.00 2.18 1.84 0.00 3.56 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.05 0.00 166 V 7.61 3.76 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 1.12 0.00 0.00 1.15 0.00 0.00 167 E 8.07 3.96 0.00 2.22 2.01 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 2.37 2.39 0.00 168 H 7.82 4.20 0.00 3.03 3.18 0.00 5.59 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 0.00 169 Y 7.94 4.37 0.00 3.05 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 0.00 170 T 8.18 3.93 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 1.20 0.00 0.00 171 R 7.87 3.90 0.00 1.93 2.00 0.00 3.15 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 172 A 8.11 4.02 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 0.00 173 A 8.31 4.06 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 0.00 174 S 7.85 4.10 0.00 4.24 4.12 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 0.00 175 K 7.84 4.09 0.00 1.94 1.90 0.00 1.66 0.00 0.00 1.64 0.00 0.00 3.08 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.44 1.59 7.81 176 E 7.98 4.19 0.00 1.95 2.01 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 2.53 2.51 0.00 177 L 7.42 4.57 0.00 1.71 1.62 0.89 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 178 M 7.55 3.98 0.00 2.16 2.23 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.56 0.00 179 K 7.90 3.97 0.00 1.73 1.82 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.52 7.81 180 Q 8.04 4.10 0.00 2.26 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 6.10 0.00 0.00 0.00 0.00 0.00 2.43 2.36 0.00 181 Q 7.76 3.52 0.00 2.33 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.49 0.00 182 I 7.61 4.80 1.84 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 1.20 0.76 0.92 0.00 0.00 183 S 9.02 4.44 0.00 3.88 3.85 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 0.00 184 V 8.96 4.74 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 1.04 0.00 0.00 0.92 0.00 0.00 185 N 9.41 5.59 0.00 2.65 2.72 0.00 0.00 6.21 8.67 0.00 0.00 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 A 9.26 5.16 1.15 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 0.00 0.00 0.00 0.00 0.00 0.00 187 I 8.50 4.74 1.85 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 1.16 0.78 0.89 0.00 0.00 188 A 8.72 5.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 P 0.00 4.77 0.00 1.97 1.97 0.00 3.85 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 190 G 8.08 3.85 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 0.00 0.00 0.00 191 P 0.00 4.28 0.00 1.91 1.81 0.00 3.27 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.92 0.00 192 M 8.66 5.02 0.00 1.96 2.17 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.61 0.00 193 D 8.66 4.67 0.00 2.94 2.81 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 0.00 194 T 8.95 4.09 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 1.35 0.00 0.00 195 S 7.99 4.26 0.00 3.86 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 0.00 196 F 7.94 4.16 0.00 2.82 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 0.00 197 F 8.17 4.52 0.00 3.11 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 0.00 198 Y 7.87 4.42 0.00 3.16 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 0.00 199 G 7.64 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 200 Q 7.54 4.32 0.00 2.04 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.64 0.00 0.00 0.00 0.00 0.00 2.20 2.22 0.00 201 E 7.39 3.91 0.00 1.37 1.65 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 2.22 2.13 0.00 *214 M 8.32 4.18 0.00 2.18 2.08 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.55 0.00 215 G 8.32 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 0.00 0.00 0.00 216 N 8.39 4.79 0.00 2.65 2.70 0.00 0.00 6.81 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 0.00 217 Q 8.35 3.77 0.00 1.48 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.82 0.00 0.00 0.00 0.00 0.00 1.52 1.98 0.00 218 L 7.34 4.71 0.00 1.52 1.60 0.96 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 219 T 8.85 4.06 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 1.22 0.00 0.00 220 K 8.65 4.68 0.00 1.93 1.63 0.00 1.74 0.00 0.00 1.98 0.00 0.00 2.92 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.53 1.45 7.81 221 I 8.16 3.65 1.77 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.60 0.42 0.00 0.00 222 E 8.13 4.06 0.00 1.93 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 2.32 2.46 0.00 223 D 7.72 4.63 0.00 2.80 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 0.00 224 I 7.34 4.15 1.80 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 1.69 1.69 0.88 0.00 0.00 225 A 7.93 3.96 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 0.00 226 P 0.00 4.32 0.00 2.25 2.29 0.00 3.66 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 2.04 2.02 0.00 227 I 7.60 3.89 2.02 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 1.51 0.68 0.99 0.00 0.00 228 I 7.70 3.76 1.99 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 1.57 1.22 1.08 0.00 0.00 229 K 7.77 3.81 0.00 1.53 1.74 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.12 1.24 7.81 230 F 8.19 4.39 0.00 3.25 3.29 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 0.00 0.00 0.00 0.00 231 L 8.00 3.91 0.00 1.89 1.77 0.98 0.87 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 0.00 232 T 7.64 3.87 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 233 T 7.70 4.34 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 1.39 0.00 0.00 234 D 9.36 4.62 0.00 2.88 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 0.00 235 G 7.57 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.67 4.42 0.00 3.62 3.36 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 0.00 237 W 7.17 3.70 0.00 2.08 2.66 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 0.00 0.00 0.00 0.00 238 I 7.47 3.83 1.96 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.64 0.90 0.00 0.00 239 N 8.06 4.81 0.00 2.35 2.31 0.00 0.00 7.30 7.98 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 0.00 240 G 8.82 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 0.00 0.00 0.00 241 Q 8.40 4.70 0.00 2.04 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.39 6.72 0.00 0.00 0.00 0.00 0.00 2.27 2.41 0.00 242 T 8.37 4.81 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 0.56 0.00 0.00 243 I 8.70 4.18 1.84 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 1.22 1.13 0.94 0.00 0.00 244 F 8.95 4.93 0.00 2.90 3.02 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 0.00 245 A 8.92 4.78 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 0.00 246 N 7.71 4.91 0.00 3.10 3.07 0.00 0.00 6.66 6.94 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 0.00 247 G 8.88 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 0.00 0.00 0.00 248 G 8.70 3.65 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 0.00 0.00 0.00 249 Y 7.27 4.52 0.00 3.04 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 0.00 250 T 8.44 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 1.20 0.00 0.00 251 T 7.37 4.81 4.22 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 1.20 0.00 0.00 252 R 8.27 4.17 0.00 1.87 1.75 0.00 3.16 0.00 0.00 3.30 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 * Residues marked with a * may have inaccurate shift predictions.