NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.4994 8.1749 117.3746 63.4637 70.0982 172.8638 2 S 4.6493 9.6654 121.7695 54.9652 66.0146 171.6209 3 I 5.3309 8.1284 118.0065 59.7296 41.2709 173.8788 4 M 4.8174 8.7878 119.0904 54.5996 34.8224 173.1852 5 A 5.1697 8.4631 120.8774 50.3241 22.4497 175.5756 6 V 4.5398 8.9394 121.9669 61.1899 34.8882 174.6394 7 T 4.7897 8.6954 118.1611 60.6153 70.2542 173.6772 8 F 5.0073 8.2337 118.4123 54.6025 41.4519 175.1591 9 K 3.7925 9.0928 121.0123 59.9658 31.5886 176.8682 10 D 4.6141 7.9220 114.1596 53.8700 43.1891 176.6458 11 G 4.3292 5.7017 112.4422 44.7884 0.0000 175.8471 12 V 4.8907 7.9047 115.7988 60.6811 33.8617 172.2632 13 I 4.6887 8.7056 122.7445 59.5868 40.6739 174.2832 14 L 5.1239 8.5580 125.2641 53.0549 44.0230 176.0203 15 G 4.3534 9.1826 109.1321 44.9532 0.0000 171.0405 16 A 5.7301 8.4710 120.6275 51.9131 22.2365 175.8560 17 D 4.7922 8.5266 119.7774 52.1110 42.1601 176.1749 18 S 4.9609 8.3257 111.0049 57.1640 64.3962 172.8513 19 R 5.1165 8.6170 121.1815 55.5794 31.8021 175.0966 20 T 4.8131 8.8279 116.7161 60.0388 71.3439 173.1393 21 T 5.0467 8.5782 114.5060 60.3138 72.3051 174.1367 22 T 4.5477 8.6547 119.2568 61.7610 70.1062 175.8730 23 G 4.0061 8.1618 119.4797 46.4851 0.0000 172.0683 24 A 4.5492 8.8832 126.7008 51.5111 19.5111 176.1407 25 Y 4.4923 7.7230 119.2303 56.3928 39.8074 174.9588 26 I 4.2351 7.3555 128.0154 59.9148 36.4855 175.3951 27 A 4.1363 8.2676 129.6257 54.3663 18.6440 177.6699 28 N 4.8978 7.9445 113.0881 52.0401 41.7376 174.6141 29 R 4.5161 8.6318 120.4759 56.3096 30.5787 176.4045 30 V 4.5624 8.1272 112.9113 61.2595 32.0163 176.2652 31 T 3.9625 8.3867 117.3593 63.9854 69.7846 173.5979 32 D 4.7473 8.6647 125.0033 52.8802 41.9931 175.6658 33 K 4.3463 8.6822 124.5846 56.7031 33.6445 176.3668 34 L 4.7046 8.1135 121.0468 53.9692 42.0506 175.8229 35 T 4.5820 8.6906 121.5184 61.5264 71.1964 174.1933 36 R 3.1744 7.8370 126.0422 55.1083 30.3164 176.2434 37 V 4.1461 7.4374 117.9394 61.2012 33.0506 175.0139 38 H 4.4251 7.5759 117.4678 55.5820 32.3876 174.2423 39 D 4.5497 8.2693 124.0856 56.7227 40.8250 179.6659 40 K 5.0153 8.1448 117.3436 56.1070 34.0588 175.6663 41 I 5.1881 8.4835 121.2268 59.8958 40.8847 174.7817 42 W 5.3080 9.6256 127.2044 54.8962 33.3310 174.1409 43 C 5.3402 9.4645 114.8675 57.2559 33.4071 172.5578 44 C 5.2925 9.0872 117.3466 58.1317 30.4360 173.2443 45 R 5.0850 8.5282 123.2914 54.6156 31.4792 176.0271 46 S 4.5655 8.9510 116.8406 57.1030 66.6758 172.7632 47 G 4.1212 9.0340 105.7197 44.3440 0.0000 175.3721 48 S 4.2305 9.8479 120.8759 57.4738 62.9473 174.5388 49 A 3.9857 8.9121 129.8352 55.2478 18.2253 179.1886 50 A 3.9375 7.9372 118.6783 55.3686 18.4792 179.2894 51 D 4.3357 8.4622 117.9992 57.8925 41.0040 179.2513 52 T 3.9465 8.1874 110.3343 64.8773 68.6399 176.4079 53 Q 3.9590 8.3486 120.6525 58.6772 28.8253 178.5739 54 A 3.9950 8.0988 121.6537 55.2136 18.3748 179.6858 55 I 3.5795 8.1130 118.2735 64.4297 37.1525 178.3291 56 A 4.0165 8.5076 121.8059 55.5767 18.2871 179.2261 57 D 4.3225 8.4754 117.5728 57.7468 40.7739 179.4752 58 I 3.7739 7.7187 120.0516 64.3439 37.1063 178.5930 59 V 3.4035 7.7332 119.2040 65.8071 31.1879 177.6927 60 Q 4.0407 8.2659 119.5689 59.4123 28.9024 177.5179 61 Y 4.0830 8.0261 120.3484 61.2058 38.7005 177.9323 62 H 3.7221 8.4142 116.9765 58.9352 28.8688 177.9072 63 L 3.9568 8.2721 121.0623 57.5561 41.3712 179.1842 64 E 3.9715 8.2599 119.5850 59.1810 29.1146 178.6653 65 L 3.8619 7.6698 120.4065 57.7385 41.9514 178.3310 66 Y 3.8774 8.0425 119.9035 60.8549 38.5855 177.9202 67 T 4.4240 8.1616 116.8141 66.5013 68.7274 176.1456 68 S 4.1351 7.5768 115.3150 61.5090 62.8643 176.1650 69 Q 4.1029 6.9748 117.8840 56.5325 29.5505 176.1245 70 Y 4.4749 7.6796 115.4315 57.6640 39.4192 175.2019 *72 G 3.9530 7.5667 108.9894 45.1114 0.0000 172.2300 73 T 4.1761 8.5915 115.1270 63.6695 68.6593 172.5564 74 P 4.5169 0.0000 0.0000 61.8485 32.6444 176.6608 75 S 4.4052 8.0936 115.0295 58.3906 65.1952 175.4901 76 T 3.9195 8.2661 119.0428 66.6258 68.2621 176.6142 77 E 3.9263 8.1270 120.9394 59.5429 29.6184 178.9388 78 T 3.7912 7.8545 115.6611 66.4237 68.4607 176.5517 79 A 3.9651 7.8066 122.2297 55.1659 18.3249 179.5886 80 A 4.1212 8.1791 119.3283 55.2261 18.3253 179.8445 81 S 4.0271 7.9695 111.8063 61.4783 62.4583 176.6157 82 V 3.5240 7.8030 121.0064 65.8839 31.2292 177.9846 83 F 3.9690 8.1889 117.5700 60.4039 38.7851 177.5116 84 K 3.9990 8.5203 119.4993 59.5502 32.1239 178.1962 85 E 3.9956 8.5507 119.9268 59.4210 29.3662 178.9441 86 L 4.0146 7.9953 118.7473 58.1591 41.5488 179.3177 87 C 4.2290 8.3671 115.7431 62.8161 28.3178 175.4439 88 Y 4.2010 8.8038 121.4799 60.8054 38.3728 177.3555 89 E 3.9590 8.0866 118.1971 58.1627 29.6096 176.8271 90 N 5.0213 7.7254 116.4515 52.4114 39.5689 176.4038 91 K 4.0165 7.7794 120.8870 60.2860 32.7173 177.9582 92 D 4.3005 7.5654 118.9794 56.9440 40.8421 177.4996 *94 N 5.1512 7.8792 114.2227 52.6427 40.0044 173.7255 95 L 5.1754 7.7411 116.3103 53.5859 45.7420 176.7963 96 T 4.7074 8.9713 117.0833 61.4583 69.8722 170.9313 97 A 4.9456 8.2918 123.9919 49.8961 22.5040 175.4062 98 G 4.2005 9.4263 111.1852 44.1155 0.0000 172.1837 99 I 5.0563 8.2968 126.7958 59.0295 40.4301 175.2640 100 I 4.3318 8.3961 127.0409 59.5356 39.4573 174.5631 101 V 4.6616 8.3204 127.1197 61.1229 32.9670 174.6642 102 A 4.8482 9.0649 129.2901 50.2860 22.1854 174.8749 103 G 4.6611 8.6395 107.0838 45.1442 0.0000 171.3677 104 Y 4.6407 9.0715 123.3086 55.5230 40.5402 175.2626 105 D 4.2617 7.8650 125.1133 54.1656 41.4877 175.4380 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 T 8.17 4.50 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 1.22 0.00 0.00 2 S 9.67 4.65 0.00 3.71 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 3 I 8.13 5.33 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 1.40 0.65 0.92 0.00 0.00 4 M 8.79 4.82 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.47 0.00 5 A 8.46 5.17 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 6 V 8.94 4.54 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 1.12 0.00 0.00 0.94 0.00 0.00 7 T 8.70 4.79 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 1.23 0.00 0.00 8 F 8.23 5.01 0.00 3.29 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 9.09 3.79 0.00 1.82 2.11 0.00 1.81 0.00 0.00 1.79 0.00 0.00 2.86 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.46 1.54 7.81 10 D 7.92 4.61 0.00 2.72 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 G 5.70 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 0.00 0.00 0.00 0.00 12 V 7.90 4.89 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 0.75 0.00 0.00 1.04 0.00 0.00 13 I 8.71 4.69 1.86 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.91 0.84 0.00 0.00 14 L 8.56 5.12 0.00 1.43 1.57 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 15 G 9.18 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 0.00 0.00 0.00 16 A 8.47 5.73 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 D 8.53 4.79 0.00 2.68 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 18 S 8.33 4.96 0.00 3.97 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.62 5.12 0.00 1.79 2.04 0.00 3.17 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.49 0.00 20 T 8.83 4.81 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 1.22 0.00 0.00 21 T 8.58 5.05 4.41 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 1.20 0.00 0.00 22 T 8.65 4.55 4.41 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 1.27 0.00 0.00 23 G 8.16 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 0.00 0.00 0.00 24 A 8.88 4.55 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 25 Y 7.72 4.49 0.00 2.99 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 26 I 7.36 4.24 1.55 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.52 0.80 0.00 0.00 27 A 8.27 4.14 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 N 7.94 4.90 0.00 2.70 2.59 0.00 0.00 6.86 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 29 R 8.63 4.52 0.00 1.90 1.94 0.00 3.00 0.00 0.00 3.18 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.60 0.00 30 V 8.13 4.56 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 1.00 0.00 0.00 31 T 8.39 3.96 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 1.23 0.00 0.00 32 D 8.66 4.75 0.00 2.70 2.64 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 0.00 0.00 0.00 0.00 33 K 8.68 4.35 0.00 1.78 1.99 0.00 1.84 0.00 0.00 1.83 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.51 1.49 7.81 34 L 8.11 4.70 0.00 1.86 1.85 0.97 0.59 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 35 T 8.69 4.58 4.30 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 1.18 0.00 0.00 36 R 7.84 3.17 0.00 0.67 1.06 0.00 3.05 0.00 0.00 2.89 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.50 0.00 37 V 7.44 4.15 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 0.88 0.00 0.00 1.08 0.00 0.00 38 H 7.58 4.43 0.00 3.12 3.12 0.00 5.91 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.27 4.55 0.00 2.68 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 K 8.14 5.02 0.00 1.84 2.09 0.00 1.78 0.00 0.00 2.16 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.57 1.58 7.81 41 I 8.48 5.19 1.98 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 1.31 0.84 1.02 0.00 0.00 42 W 9.63 5.31 0.00 3.21 3.26 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 43 C 9.46 5.34 0.00 2.74 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 44 C 9.09 5.29 0.00 2.80 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 45 R 8.53 5.09 0.00 1.74 1.87 0.00 3.18 0.00 0.00 3.35 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 46 S 8.95 4.57 0.00 3.85 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 47 G 9.03 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 0.00 0.00 0.00 48 S 9.85 4.23 0.00 3.83 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 49 A 8.91 3.99 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 50 A 7.94 3.94 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 51 D 8.46 4.34 0.00 2.82 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 52 T 8.19 3.95 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 1.30 0.00 0.00 53 Q 8.35 3.96 0.00 2.38 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.40 2.51 0.00 54 A 8.10 4.00 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 55 I 8.11 3.58 2.14 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 0.74 1.00 0.00 0.00 56 A 8.51 4.02 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 D 8.48 4.32 0.00 2.82 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 58 I 7.72 3.77 1.99 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 1.69 0.95 1.00 0.00 0.00 59 V 7.73 3.40 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 -0.21 0.00 0.00 60 Q 8.27 4.04 0.00 2.11 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.53 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 61 Y 8.03 4.08 0.00 3.11 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 H 8.41 3.72 0.00 3.39 3.26 0.00 5.67 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 63 L 8.27 3.96 0.00 1.60 1.59 0.92 0.52 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 64 E 8.26 3.97 0.00 2.01 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 2.24 2.28 0.00 65 L 7.67 3.86 0.00 1.33 1.47 0.81 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 8.04 3.88 0.00 3.26 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 67 T 8.16 4.42 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 1.27 0.00 0.00 68 S 7.58 4.14 0.00 3.87 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 69 Q 6.97 4.10 0.00 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.07 0.00 0.00 0.00 0.00 0.00 1.98 2.13 0.00 70 Y 7.68 4.47 0.00 2.31 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 *72 G 7.57 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 73 T 8.59 4.18 4.32 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 74 P 0.00 4.52 0.00 1.72 1.20 0.00 3.65 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.66 0.00 75 S 8.09 4.41 0.00 4.03 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 76 T 8.27 3.92 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 1.26 0.00 0.00 77 E 8.13 3.93 0.00 2.00 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 2.36 2.39 0.00 78 T 7.85 3.79 4.17 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 0.79 0.00 0.00 79 A 7.81 3.97 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 0.00 0.00 0.00 0.00 0.00 80 A 8.18 4.12 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 81 S 7.97 4.03 0.00 4.06 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 82 V 7.80 3.52 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.85 0.00 0.00 83 F 8.19 3.97 0.00 3.32 3.07 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 0.00 0.00 0.00 84 K 8.52 4.00 0.00 1.91 2.06 0.00 1.61 0.00 0.00 1.55 0.00 0.00 2.74 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.48 1.45 7.81 85 E 8.55 4.00 0.00 2.32 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 2.45 0.00 86 L 8.00 4.01 0.00 1.93 1.72 0.82 0.98 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 87 C 8.37 4.23 0.00 3.08 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 88 Y 8.80 4.20 0.00 2.97 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 89 E 8.09 3.96 0.00 2.38 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 2.38 2.42 0.00 90 N 7.73 5.02 0.00 2.88 2.73 0.00 0.00 6.56 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 91 K 7.78 4.02 0.00 1.83 2.05 0.00 1.46 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 2.49 0.00 0.00 0.00 0.00 1.34 1.33 7.81 92 D 7.57 4.30 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 *94 N 7.88 5.15 0.00 2.73 2.87 0.00 0.00 7.05 7.85 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 95 L 7.74 5.18 0.00 1.59 1.54 0.99 0.85 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 96 T 8.97 4.71 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 97 A 8.29 4.95 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 98 G 9.43 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 I 8.30 5.06 1.72 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 1.31 0.72 0.38 0.00 0.00 100 I 8.40 4.33 1.84 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.60 0.89 0.00 0.00 101 V 8.32 4.66 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 0.81 0.00 0.00 0.50 0.00 0.00 102 A 9.06 4.85 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 0.00 103 G 8.64 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 0.00 104 Y 9.07 4.64 0.00 2.95 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 D 7.87 4.26 0.00 2.47 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.