NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3463 8.2493 123.5805 52.5750 20.0403 176.0514 2 T 4.3647 8.2249 108.3197 61.4911 71.3015 172.7670 3 K 5.2010 8.5055 123.4381 54.5728 36.7579 176.6207 4 A 5.4799 9.1618 125.0680 50.7215 23.5726 174.6288 5 V 5.1681 9.0105 117.0800 61.2001 35.3967 173.2456 6 C 5.0250 9.2465 121.7136 58.0281 35.3042 172.5540 7 V 4.7386 8.5078 125.6906 61.2325 33.6475 173.9938 8 L 4.7941 8.7900 128.9914 53.7464 42.9283 176.0406 9 K 4.8599 8.9426 123.2012 54.9493 36.4340 176.3746 10 G 4.4033 8.5007 109.0851 44.6425 0.0000 172.1412 11 D 4.7800 8.4769 117.4451 51.4430 38.6382 174.8522 12 G 3.9479 7.1583 108.0085 45.4270 0.0000 169.4871 13 P 4.4789 0.0000 0.0000 62.8521 32.0695 174.8470 14 V 5.0564 7.4048 119.8987 61.6377 32.0908 174.7554 15 Q 5.1563 7.7728 125.7173 53.0485 33.5801 174.2766 16 G 4.2540 7.8642 106.2476 46.6369 0.0000 172.3272 17 T 5.1695 8.2953 116.0525 61.8332 72.5760 173.3140 18 I 4.6946 8.9887 127.7464 59.7327 40.1142 174.4057 19 H 5.2320 9.4519 124.0544 53.9604 32.1631 173.0963 20 F 5.2722 9.1024 119.7713 55.8004 43.0636 173.7639 21 E 5.1566 8.9949 122.6489 54.6366 33.3274 173.7189 22 A 4.7871 9.3671 129.9798 51.4579 19.5349 176.9944 23 K 4.3968 9.0651 123.0657 54.9785 35.4538 179.0938 24 G 3.9983 9.2088 116.0218 46.8015 0.0000 172.7308 25 D 5.1600 9.1889 120.0088 54.0070 43.2054 175.2993 26 T 4.8033 8.4908 108.7348 59.8992 72.7037 172.8922 27 V 4.6837 8.6618 122.9056 61.0825 34.0219 175.0006 28 V 4.2776 8.6815 129.6810 62.8461 32.2320 174.7005 29 V 4.5352 8.7001 129.6245 61.9887 32.9890 174.9264 30 T 4.9846 9.3708 123.5030 61.6482 73.5462 174.9951 31 G 3.9220 7.0940 109.5034 45.8782 0.0000 171.4181 32 S 5.1226 7.7202 112.5433 57.3234 66.7845 173.0810 33 I 5.2633 8.7991 121.1274 59.8486 41.3119 174.5959 34 T 4.9010 9.4447 115.2995 60.9464 72.1294 174.8314 35 G 4.2227 9.0365 110.4043 46.3773 0.0000 173.7454 36 L 4.2172 7.8690 120.3238 54.0301 42.4339 176.7401 37 T 4.3235 8.1688 111.5254 60.9073 69.6692 174.1245 38 E 4.1437 8.5606 124.3167 58.0156 30.7229 176.1305 39 G 3.8860 8.8947 110.5421 44.0708 0.0000 172.0040 40 D 5.2104 8.3237 119.4489 54.3399 42.2043 176.0078 41 H 5.0485 9.1735 118.5029 53.6470 33.2916 173.3846 42 G 3.9503 9.0486 110.0576 46.6724 0.0000 172.5277 43 F 5.5240 9.4638 125.1273 56.5054 41.6954 172.6895 44 H 5.1232 8.9772 122.3984 53.5683 32.9627 173.2289 45 V 4.4115 8.7259 122.9011 62.5418 32.3046 175.3750 46 H 5.0382 9.4441 126.2990 54.9866 30.2911 176.6127 47 Q 3.7328 8.7723 121.6002 58.5004 29.2277 176.1478 48 F 4.9083 8.2025 117.4437 54.8784 42.0024 176.6926 49 G 4.4244 8.2407 111.8908 43.5108 0.0000 173.8091 50 D 4.7409 7.7830 116.2155 52.8976 43.2218 174.2217 51 N 5.3324 8.8785 123.4473 52.6839 39.3148 175.4258 52 T 3.9897 8.1123 108.9110 63.8386 69.6244 174.2836 53 Q 4.6323 8.1010 123.0285 55.3465 30.1552 175.1093 54 G 3.7521 7.4523 114.6558 47.6149 0.0000 176.8292 55 C 4.5591 8.6344 121.3542 57.9725 40.3016 175.6089 56 T 3.8184 7.9823 117.7930 66.4838 68.0659 175.8970 57 S 4.5936 7.9958 112.4130 58.4857 63.4630 174.6221 58 A 4.4704 7.3869 124.5540 52.7589 18.5729 179.1786 59 G 3.7219 7.6598 103.4725 44.0033 0.0000 170.5676 60 P 4.5568 0.0000 0.0000 62.1747 33.4203 174.6161 61 H 4.5377 8.1698 115.0348 55.5130 29.2760 174.7167 62 F 4.2842 8.8720 125.9584 59.1073 39.7289 174.3998 63 N 4.7785 7.9951 127.9973 51.4046 38.6121 172.9212 64 P 4.3053 0.0000 0.0000 64.3006 32.1833 177.8775 65 L 4.3198 7.5856 117.3438 53.9701 42.2461 176.0629 66 S 3.6630 7.6465 113.6377 59.4862 60.6935 172.2479 67 K 4.3974 8.0869 119.0519 55.6965 34.0585 176.9796 68 K 4.4173 8.6712 120.9378 55.8357 33.9984 176.2613 69 H 4.0461 8.6377 121.5134 56.4932 30.5429 174.4595 70 G 4.0008 7.4553 110.9553 45.8503 0.0000 172.9393 71 G 4.0252 8.2187 108.4514 43.1573 0.0000 173.1073 72 P 4.3193 0.0000 0.0000 65.0626 31.3699 177.8117 73 K 4.2916 7.8165 115.0768 57.9267 33.6139 176.9379 74 D 4.4826 7.8239 119.3064 54.0678 41.2843 176.1853 75 E 3.9147 8.7123 123.4407 58.9133 29.9733 176.6351 76 E 4.3156 7.9617 119.9471 55.5397 28.7385 175.1767 77 R 4.7771 7.5981 117.6264 55.6254 32.2376 174.8915 78 H 4.4078 8.3404 116.2137 55.6297 29.4341 177.0399 79 V 3.5385 8.1155 121.4542 66.0583 31.7275 177.0782 80 G 3.9597 8.4736 105.6169 46.7826 0.0000 173.3983 81 D 5.0728 8.1724 121.5449 53.0071 40.4194 175.8237 82 L 4.5504 8.3173 121.6910 53.1999 42.6850 178.7658 83 G 3.9237 8.4082 108.3511 46.9443 0.0000 173.5577 84 N 5.5797 8.7555 121.0351 51.3199 41.3399 173.7682 85 V 4.3503 8.6098 121.7678 61.3629 34.7262 174.3562 86 T 5.0175 8.3039 122.8119 61.6956 70.4331 173.8147 87 A 4.4730 9.1561 130.0133 51.5552 20.1652 177.5090 88 D 4.6086 8.7677 121.5968 52.2337 41.4511 176.8033 89 K 4.0008 8.5050 118.8000 58.9039 32.2151 177.3381 90 N 4.6001 8.3260 114.1823 53.2254 39.0361 175.5225 91 G 4.2730 8.6141 107.5516 44.9210 0.0000 173.1580 92 V 4.9464 8.2935 112.7074 59.1665 34.6733 174.7873 93 A 4.9420 8.8866 125.6797 50.1494 21.7649 175.1740 94 I 4.2912 8.3665 124.1290 60.9830 38.1935 175.7977 95 V 3.8970 8.6515 128.1463 62.0225 33.0857 174.7410 96 D 4.7635 8.3526 127.5398 53.8173 42.7924 173.9701 97 I 4.7523 9.0588 126.8585 59.5368 42.1992 174.7897 98 V 4.7449 8.4815 124.7715 61.3562 33.8804 173.8426 99 D 5.0896 8.9843 128.5579 51.8600 43.5392 174.4381 100 P 4.8452 0.0000 0.0000 62.1926 32.1708 175.8475 101 L 4.3538 8.0185 120.8540 57.0003 42.9253 176.8958 102 I 4.0392 7.7764 110.5795 61.1339 38.1241 174.6055 103 S 4.6408 8.2253 114.6592 57.9052 65.6860 174.1844 104 L 4.7024 8.2924 117.3362 54.1888 41.9037 175.9780 105 S 4.4360 7.9206 112.7794 57.8197 66.2985 174.9352 106 G 3.8709 8.3753 107.9488 45.8544 0.0000 174.3783 107 E 4.1772 8.4453 114.0837 55.4524 27.5960 174.5415 *109 S 4.2370 7.8419 113.6550 57.9979 63.6461 173.3967 110 I 3.8145 8.3672 120.4553 60.7019 38.1313 175.5904 111 I 3.5886 6.9019 123.0134 63.2710 37.1935 176.2607 112 G 3.8618 9.3649 114.5306 45.0857 0.0000 172.8985 113 R 4.9819 7.6700 119.8080 54.8193 33.8472 174.3478 114 T 4.9794 8.0441 115.8135 62.6299 71.9608 173.1563 115 M 4.5912 8.8381 127.3361 54.8256 33.7042 174.8594 116 V 4.7549 8.8385 126.4643 61.0472 34.8190 174.0688 117 V 4.8505 8.3802 127.4597 62.0034 33.1783 174.4957 118 H 5.3177 9.1362 125.1719 54.3627 30.2828 174.9742 119 E 4.2085 9.1498 122.4829 58.8869 30.0561 177.1840 120 K 4.7444 8.6076 118.1693 53.5266 35.1623 174.7025 121 P 4.6422 0.0000 0.0000 62.7555 31.9430 175.2318 122 D 4.9323 9.6150 122.4645 53.7714 41.8453 176.0879 123 D 4.5859 9.1291 125.4333 53.1651 39.5958 176.5317 124 L 3.5132 9.8162 119.7742 56.2348 39.5834 176.2113 125 G 4.1106 8.5952 105.2203 45.9941 0.0000 175.3733 126 R 4.6080 7.7130 118.5145 54.3825 29.4636 175.3351 127 G 4.2229 7.5166 106.5858 43.4492 0.0000 171.8158 128 G 3.8910 8.5564 110.3783 42.5186 0.0000 171.8826 129 N 4.0998 6.7222 115.4500 53.5464 40.2517 174.2955 130 E 4.5469 7.8222 113.3585 56.7786 31.6886 177.5802 131 E 3.9191 8.1394 120.1123 59.0634 29.2848 178.1292 132 S 4.1526 8.4061 113.7936 61.4390 62.3921 175.4233 133 T 4.4479 7.5987 110.0255 62.1716 68.5339 174.9836 134 K 4.3222 7.7135 118.5302 57.8701 34.5634 177.3027 135 T 4.3118 8.3343 107.4248 60.3327 69.5053 175.3293 136 G 3.7934 7.7477 109.7248 45.3672 0.0000 173.5982 137 N 4.1642 7.6280 115.1137 54.1036 36.8613 175.3450 138 A 4.5106 7.2356 117.8083 51.4252 19.3305 179.9870 139 G 3.7015 7.3749 105.0787 45.3077 0.0000 173.3449 140 S 4.3715 7.9841 116.1672 59.2797 64.5450 173.7695 141 R 4.5814 8.3635 119.5182 55.0163 30.3047 176.5218 142 L 4.3665 8.8967 125.3983 57.2328 43.2822 177.0768 143 A 4.8461 7.7374 117.7487 51.3274 22.6670 174.1400 144 C 5.6505 8.6955 113.6568 55.5629 46.9192 172.9943 145 G 4.6588 8.1788 104.8539 45.4373 0.0000 172.3272 146 V 4.3834 8.2815 122.8512 62.3778 32.4524 175.5797 147 I 4.0304 8.7034 130.0049 61.2967 37.9662 175.5566 148 G 4.4372 9.0862 114.5208 43.8277 0.0000 171.9432 149 I 4.2851 8.2847 120.9204 61.3520 37.0743 175.9476 150 A 4.6555 8.7733 128.1333 52.9293 21.4922 176.7097 151 K 4.0591 7.7252 118.8950 57.1088 33.2076 175.4681 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 1 A 8.25 4.35 1.26 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 2 T 8.22 4.36 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 3 K 8.51 5.20 0.00 1.91 1.74 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.38 1.39 7.81 4 A 9.16 5.48 1.17 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 0.00 0.00 5 V 9.01 5.17 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 0.82 0.00 0.00 0.93 0.00 0.00 6 C 9.25 5.02 0.00 3.25 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 7 V 8.51 4.74 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 0.96 0.00 0.00 0.94 0.00 0.00 8 L 8.79 4.79 0.00 1.67 1.62 1.06 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.94 4.86 0.00 1.68 1.65 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.36 7.81 10 G 8.50 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 0.00 0.00 0.00 0.00 11 D 8.48 4.78 0.00 2.77 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 12 G 7.16 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 0.00 0.00 0.00 13 P 0.00 4.48 0.00 2.22 2.28 0.00 3.69 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.94 0.00 14 V 7.40 5.06 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 0.93 0.00 0.00 0.91 0.00 0.00 15 Q 7.77 5.16 0.00 1.96 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.67 0.00 0.00 0.00 0.00 0.00 2.33 2.11 0.00 16 G 7.86 4.25 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 0.00 17 T 8.30 5.17 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 1.19 0.00 0.00 18 I 8.99 4.69 1.96 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 1.33 1.21 0.60 0.00 0.00 19 H 9.45 5.23 0.00 3.10 3.15 0.00 5.75 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 F 9.10 5.27 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 21 E 8.99 5.16 0.00 2.08 1.77 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 2.23 2.30 0.00 22 A 9.37 4.79 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 23 K 9.07 4.40 0.00 1.84 1.74 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.39 7.81 24 G 9.21 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 25 D 9.19 5.16 0.00 2.65 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 26 T 8.49 4.80 4.34 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 1.23 0.00 0.00 27 V 8.66 4.68 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 1.16 0.00 0.00 1.04 0.00 0.00 28 V 8.68 4.28 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 0.84 0.00 0.00 0.95 0.00 0.00 29 V 8.70 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 0.85 0.00 0.00 1.01 0.00 0.00 30 T 9.37 4.98 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 1.17 0.00 0.00 31 G 7.09 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 32 S 7.72 5.12 0.00 3.87 3.88 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 33 I 8.80 5.26 1.79 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.62 0.96 0.00 0.00 34 T 9.44 4.90 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 1.19 0.00 0.00 35 G 9.04 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 0.00 0.00 0.00 0.00 36 L 7.87 4.22 0.00 1.90 1.52 0.79 0.39 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 37 T 8.17 4.32 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 1.24 0.00 0.00 38 E 8.56 4.14 0.00 1.95 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.45 0.00 39 G 8.89 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 40 D 8.32 5.21 0.00 2.55 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 H 9.17 5.05 0.00 3.03 3.41 0.00 5.62 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 42 G 9.05 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 0.00 0.00 0.00 43 F 9.46 5.52 0.00 3.00 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 44 H 8.98 5.12 0.00 3.20 2.87 0.00 5.68 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.73 4.41 2.13 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 0.97 0.00 0.00 0.91 0.00 0.00 46 H 9.44 5.04 0.00 3.08 3.43 0.00 5.68 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 47 Q 8.77 3.73 0.00 1.87 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.64 0.00 0.00 0.00 0.00 0.00 1.57 2.22 0.00 48 F 8.20 4.91 0.00 3.15 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 49 G 8.24 4.42 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 0.00 0.00 0.00 0.00 0.00 0.00 50 D 7.78 4.74 0.00 2.65 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 51 N 8.88 5.33 0.00 2.69 2.75 0.00 0.00 7.37 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 52 T 8.11 3.99 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 1.20 0.00 0.00 53 Q 8.10 4.63 0.00 2.05 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.86 0.00 0.00 0.00 0.00 0.00 2.24 2.26 0.00 54 G 7.45 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 55 C 8.63 4.56 0.00 2.99 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 T 7.98 3.82 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 57 S 8.00 4.59 0.00 4.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 A 7.39 4.47 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 59 G 7.66 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 P 0.00 4.56 0.00 2.12 2.20 0.00 3.66 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 61 H 8.17 4.54 0.00 2.80 3.15 0.00 5.73 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 F 8.87 4.28 0.00 2.96 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 63 N 8.00 4.78 0.00 2.56 2.46 0.00 0.00 6.90 7.71 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 64 P 0.00 4.31 0.00 2.09 1.98 0.00 3.11 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.33 0.00 65 L 7.59 4.32 0.00 1.57 1.68 0.84 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 66 S 7.65 3.66 0.00 4.02 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 67 K 8.09 4.40 0.00 1.73 1.86 0.00 1.94 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.48 7.81 68 K 8.67 4.42 0.00 1.79 1.71 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.75 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.37 7.81 69 H 8.64 4.05 0.00 3.29 3.28 0.00 5.98 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 G 7.46 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 71 G 8.22 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 0.00 0.00 0.00 72 P 0.00 4.32 0.00 2.07 2.20 0.00 3.68 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 2.08 2.23 0.00 73 K 7.82 4.29 0.00 1.85 1.93 0.00 1.59 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.45 7.81 74 D 7.82 4.48 0.00 2.82 2.67 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 75 E 8.71 3.91 0.00 1.91 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 76 E 7.96 4.32 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 2.34 2.21 0.00 77 R 7.60 4.78 0.00 1.89 1.76 0.00 2.78 0.00 0.00 2.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.54 0.00 78 H 8.34 4.41 0.00 3.34 3.38 0.00 5.64 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 V 8.12 3.54 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.74 0.00 0.00 80 G 8.47 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 81 D 8.17 5.07 0.00 2.71 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 L 8.32 4.55 0.00 1.85 1.84 0.99 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 83 G 8.41 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 84 N 8.76 5.58 0.00 2.61 2.73 0.00 0.00 6.49 7.68 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 85 V 8.61 4.35 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.27 0.00 0.00 86 T 8.30 5.02 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 1.25 0.00 0.00 87 A 9.16 4.47 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 88 D 8.77 4.61 0.00 2.89 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 89 K 8.50 4.00 0.00 1.73 1.87 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.42 1.70 7.81 90 N 8.33 4.60 0.00 2.85 2.82 0.00 0.00 7.00 7.65 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 91 G 8.61 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 0.00 0.00 0.00 0.00 92 V 8.29 4.95 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 0.76 0.00 0.00 1.03 0.00 0.00 93 A 8.89 4.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 I 8.37 4.29 1.82 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.82 0.86 0.00 0.00 95 V 8.65 3.90 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 0.76 0.00 0.00 0.61 0.00 0.00 96 D 8.35 4.76 0.00 2.62 2.49 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 97 I 9.06 4.75 1.93 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.56 0.98 0.00 0.00 98 V 8.48 4.74 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 0.80 0.00 0.00 0.94 0.00 0.00 99 D 8.98 5.09 0.00 2.88 2.53 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 0.00 100 P 0.00 4.85 0.00 2.22 2.14 0.00 3.43 0.00 0.00 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.91 0.00 101 L 8.02 4.35 0.00 1.60 1.90 0.90 1.03 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 0.00 102 I 7.78 4.04 1.95 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 1.63 0.79 1.03 0.00 0.00 103 S 8.23 4.64 0.00 4.00 4.01 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 0.00 104 L 8.29 4.70 0.00 1.76 1.65 1.03 0.69 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 0.00 105 S 7.92 4.44 0.00 3.93 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 0.00 106 G 8.38 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 E 8.45 4.18 0.00 2.01 1.99 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 2.34 2.31 0.00 *109 S 7.84 4.24 0.00 3.98 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 I 8.37 3.81 1.66 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.06 0.93 0.00 0.00 111 I 6.90 3.59 1.78 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 1.10 0.85 0.83 0.00 0.00 112 G 9.36 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 113 R 7.67 4.98 0.00 1.59 1.86 0.00 2.21 0.00 0.00 2.57 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.29 0.00 114 T 8.04 4.98 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 115 M 8.84 4.59 0.00 2.18 1.98 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.59 0.00 116 V 8.84 4.75 1.96 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 0.73 0.00 0.00 0.74 0.00 0.00 117 V 8.38 4.85 2.13 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 1.05 0.00 0.00 1.05 0.00 0.00 118 H 9.14 5.32 0.00 3.32 3.55 0.00 5.71 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 E 9.15 4.21 0.00 2.03 2.13 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 2.36 2.34 0.00 120 K 8.61 4.74 0.00 1.75 1.68 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.40 7.81 121 P 0.00 4.64 0.00 2.17 1.96 0.00 3.57 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.21 0.00 122 D 9.62 4.93 0.00 2.72 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 0.00 123 D 9.13 4.59 0.00 2.95 2.89 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 0.00 124 L 9.82 3.51 0.00 1.85 1.78 0.94 1.07 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 0.00 125 G 8.60 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 0.00 0.00 0.00 0.00 126 R 7.71 4.61 0.00 1.97 1.88 0.00 3.11 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.53 0.00 127 G 7.52 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 0.00 0.00 0.00 0.00 128 G 8.56 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 0.00 129 N 6.72 4.10 0.00 2.88 2.89 0.00 0.00 6.19 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 0.00 130 E 7.82 4.55 0.00 2.18 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 0.00 2.25 2.31 0.00 131 E 8.14 3.92 0.00 2.09 2.13 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 2.42 2.40 0.00 132 S 8.41 4.15 0.00 4.10 4.01 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 0.00 133 T 7.60 4.45 4.25 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 1.21 0.00 0.00 134 K 7.71 4.32 0.00 1.81 1.80 0.00 1.71 0.00 0.00 1.74 0.00 0.00 3.11 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.32 1.38 7.81 135 T 8.33 4.31 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 136 G 7.75 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 0.00 0.00 0.00 137 N 7.63 4.16 0.00 2.99 2.85 0.00 0.00 6.91 7.29 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 0.00 138 A 7.24 4.51 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 0.00 139 G 7.37 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 0.00 0.00 0.00 140 S 7.98 4.37 0.00 3.81 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 R 8.36 4.58 0.00 1.65 1.81 0.00 3.34 0.00 0.00 3.26 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.63 0.00 142 L 8.90 4.37 0.00 1.70 1.70 0.98 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 143 A 7.74 4.85 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 C 8.70 5.65 0.00 3.00 3.10 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 0.00 145 G 8.18 4.66 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 0.00 0.00 0.00 146 V 8.28 4.38 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 0.77 0.00 0.00 0.94 0.00 0.00 147 I 8.70 4.03 1.74 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.40 0.33 0.00 0.00 148 G 9.09 4.44 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 0.00 149 I 8.28 4.29 1.86 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 1.25 0.54 0.91 0.00 0.00 150 A 8.77 4.66 1.29 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 0.00 151 K 7.73 4.06 0.00 1.81 1.66 0.00 1.73 0.00 0.00 1.87 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.44 7.81 * Residues marked with a * may have inaccurate shift predictions.