NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.4095 8.2393 119.6963 56.1625 31.7618 175.6184 3 T 4.0028 8.3916 112.7798 59.9110 71.1568 174.2960 4 R 3.3471 8.9443 121.1451 59.5792 30.3277 179.5437 5 S 4.3713 7.8822 114.3123 61.6765 62.8389 176.5160 6 Q 3.7825 7.6236 120.2302 58.8445 28.5008 179.1007 7 V 3.4668 7.3489 118.5658 65.8571 31.5187 178.0139 8 W 4.4583 7.8283 118.4158 59.7000 28.7990 178.3400 9 A 3.2282 7.7637 120.9393 54.8215 17.5838 179.3112 10 Q 3.8055 7.8967 117.9604 59.3754 29.0824 178.7099 11 K 3.9095 8.0896 119.0621 59.3628 32.0338 179.2048 12 A 3.2178 8.1453 121.2196 55.0854 18.1700 178.9324 13 Y 3.3883 7.8959 118.2613 60.6072 38.5339 178.0570 14 E 3.3820 8.0684 120.2831 59.0150 29.7363 179.0120 15 K 4.0028 8.1542 118.8001 59.3904 32.1077 179.6343 16 V 3.6707 8.0148 118.9372 65.7937 31.2623 177.8422 17 R 3.7129 7.5516 117.6754 59.4799 30.0938 177.8932 18 E 3.9741 7.6766 117.7126 59.5567 29.5243 179.2903 19 A 3.7120 7.8009 120.2568 55.0119 17.9520 179.4956 20 A 3.9635 7.9292 118.9357 54.8381 18.4757 179.0098 21 K 4.3967 7.6829 114.5730 55.7653 32.6669 176.5006 22 G 4.1615 7.2465 108.8393 42.9392 0.0000 172.4731 23 E 4.1323 8.3698 120.0947 57.1157 30.3577 176.9885 24 G 4.2217 8.8953 112.2509 45.7973 0.0000 175.3738 25 R 4.0955 7.6588 118.0086 59.1255 29.2130 179.1955 26 G 3.6485 8.0772 106.1151 47.7679 0.0000 175.4576 27 E 4.3094 8.2083 120.5607 59.1122 29.4069 178.4874 28 Y 4.0302 8.0095 119.0004 60.6661 39.1073 177.8755 29 R 4.2465 8.3100 119.6307 59.5046 30.1352 178.5036 30 D 4.5335 7.8713 114.9548 55.4569 40.7494 178.0888 *32 A 4.1942 7.8563 123.8522 52.2616 20.3368 179.1351 33 L 4.1495 8.1097 114.6246 57.2043 42.0368 179.0093 34 K 4.2369 7.8020 117.1170 57.4488 32.2795 178.5842 35 L 3.8639 7.8060 120.7861 57.6701 41.9004 176.8706 36 P 4.1856 0.0000 0.0000 65.7123 31.2471 179.0061 37 V 3.5864 7.6586 117.2577 64.5268 31.3741 178.2452 38 L 3.8255 7.7731 119.7117 57.5293 41.4853 179.5659 39 V 3.5053 7.9707 118.3856 65.9898 31.2617 178.1493 40 R 3.8682 7.7937 116.3766 59.5625 30.0620 178.6947 41 Q 4.1523 8.1541 115.8357 57.6462 29.0586 176.8532 42 A 4.3241 8.3207 121.5363 51.6726 20.3266 177.8732 43 G 4.0591 8.1579 103.3172 45.1720 0.0000 174.0197 44 L 3.8257 8.6484 122.8628 58.4453 41.9465 179.6001 45 S 4.2017 8.6432 114.6857 61.9922 62.8863 177.0379 46 Q 4.0338 8.1362 119.7802 58.8424 28.5516 178.4456 47 A 4.0223 8.3214 122.1150 55.2381 18.4489 179.7556 48 L 3.9747 8.4021 117.6888 57.7535 41.6449 179.6052 49 A 4.1291 8.1682 120.9831 54.8505 18.0380 179.5161 50 F 4.0076 7.9330 118.6471 61.3290 39.5726 177.3885 51 V 3.5964 7.6961 116.6369 66.1282 31.5468 177.4366 52 D 4.3950 8.5160 116.1718 55.9086 42.1790 177.0185 53 S 4.7343 7.5454 116.1058 58.8096 61.1060 172.2368 54 R 3.9447 7.2861 124.2167 55.2038 32.2559 171.9656 *56 K 4.0464 8.3105 114.0258 56.0946 33.6091 175.2765 57 E 3.8755 8.7651 118.0859 60.0934 29.3707 178.9816 58 A 4.1024 7.9915 120.0631 55.5798 18.5725 179.1431 59 H 4.1399 8.1021 114.0935 59.0921 28.8462 178.0574 60 K 3.9606 8.1622 120.0174 59.2244 31.7608 179.1366 61 A 4.0727 8.2693 121.5032 55.1606 18.2804 179.4098 62 L 3.5445 7.7666 118.3610 57.9393 42.0197 179.3939 63 G 3.4776 7.6617 105.1122 47.8907 0.0000 175.3351 64 N 4.4191 8.4660 119.7899 55.9831 38.4868 177.1649 65 D 4.4597 8.2398 120.2553 57.3157 40.9828 178.5696 66 L 3.6374 7.5637 120.3750 58.1013 41.9888 178.6691 67 A 4.0587 8.2451 120.9812 55.5726 18.1794 179.6978 68 Q 4.7707 8.5069 118.0636 58.7238 28.5839 179.0169 69 V 3.7681 8.1782 118.7392 65.7910 31.6747 177.1902 70 L 4.6465 7.8517 116.0838 54.9609 41.8171 177.5793 71 G 3.8789 8.4379 108.1367 45.3176 0.0000 173.2307 72 Y 4.6553 8.2441 117.9448 56.1116 39.7426 176.8635 73 R 3.9071 9.0031 122.6208 59.3212 30.4900 175.7999 74 D 4.4742 7.5145 114.4712 51.6113 41.9488 175.6181 75 L 3.8642 8.7812 120.1788 58.5702 41.7899 179.2449 76 R 3.8667 8.0170 117.4141 59.4005 30.0267 178.5147 77 E 3.9497 8.7601 119.1642 59.0129 29.7042 178.5264 78 L 3.0483 7.9779 120.2418 57.9225 42.2023 178.8786 79 A 3.9519 8.5136 121.0089 54.9156 18.1819 179.2799 80 E 3.8183 8.2324 117.7395 59.4187 29.6482 178.7674 81 A 4.0010 8.0818 120.6680 55.2227 18.1406 179.5222 82 A 4.0656 7.6545 118.0914 55.4933 18.5725 179.8462 83 R 4.0319 7.7993 115.4235 59.1721 30.2435 178.5178 84 E 4.1895 8.3065 116.1894 56.6166 30.1429 176.9433 85 A 4.2661 7.1751 122.7358 51.6429 19.3044 177.8370 86 E 4.3216 8.0957 120.0048 55.0843 31.7870 178.0719 87 L 3.9726 8.4881 120.9930 58.8871 41.8867 178.9732 88 L 4.0420 7.9208 117.7966 58.1259 41.6514 179.5601 89 Q 4.1106 8.1232 117.3773 58.8367 28.6251 178.0524 90 Y 4.0645 8.4409 121.1423 60.7496 38.9901 178.0272 91 L 3.9329 8.2401 120.0194 57.6252 41.6835 179.5170 92 R 3.8871 8.1271 118.7116 59.4024 30.0205 178.3066 93 L 4.3799 8.2073 121.8807 57.9361 41.9228 179.0374 94 T 3.6666 7.8410 115.7537 66.6512 68.2471 176.8332 95 R 3.9046 7.8950 119.7377 59.1336 29.9287 179.0323 96 E 3.9754 8.2224 118.4956 59.3953 29.4561 179.5159 97 V 3.4126 7.9770 118.6504 65.7918 31.6814 177.7871 98 L 3.7914 8.0837 120.0832 57.9617 41.3847 178.8967 99 A 3.9039 8.1382 120.6675 55.1628 18.2792 179.4653 100 A 3.8487 7.6267 119.4758 55.2264 18.2983 179.7320 101 A 4.0654 8.5789 119.6900 55.2564 18.2833 179.7521 102 E 3.8176 8.0513 116.9397 59.2617 29.4661 179.5166 103 W 4.0454 7.8191 118.1551 59.7334 29.0890 178.5879 104 F 4.1846 8.3752 117.8134 60.3441 38.3564 177.4522 105 K 3.9370 8.3979 119.3593 59.7903 31.9845 179.0155 106 R 3.8205 8.0639 118.2643 59.3659 29.9015 179.1940 107 F 4.6115 8.2264 117.2387 60.2227 38.8537 177.8194 108 A 4.1464 8.5084 120.9904 55.1936 18.0304 179.2612 109 Q 3.9379 8.1605 116.8546 59.3098 29.1311 178.3134 110 A 4.2412 7.8528 120.5364 55.0031 18.8748 179.0960 111 L 4.3292 8.6150 115.9323 55.0915 42.3325 177.1382 112 I 4.4416 7.4056 119.7641 59.4880 38.7423 175.5285 113 E 4.2094 8.7571 123.3501 56.7045 29.4230 176.4930 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 R 8.24 4.41 0.00 1.74 1.85 0.00 3.10 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.58 0.00 3 T 8.39 4.00 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 1.18 0.00 0.00 4 R 8.94 3.35 0.00 1.60 1.62 0.00 2.21 0.00 0.00 2.47 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.50 0.00 5 S 7.88 4.37 0.00 4.01 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 0.00 6 Q 7.62 3.78 0.00 2.24 2.04 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 2.31 2.32 0.00 7 V 7.35 3.47 1.81 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 1.01 0.00 0.00 0.81 0.00 0.00 8 W 7.83 4.46 0.00 3.37 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 9 A 7.76 3.23 0.25 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 10 Q 7.90 3.81 0.00 2.03 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 11 K 8.09 3.91 0.00 1.94 1.92 0.00 1.84 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.60 7.81 12 A 8.15 3.22 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 Y 7.90 3.39 0.00 1.48 2.79 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 14 E 8.07 3.38 0.00 2.04 2.03 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 2.21 2.21 0.00 15 K 8.15 4.00 0.00 2.13 2.17 0.00 2.06 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.79 1.93 7.81 16 V 8.01 3.67 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 1.26 0.00 0.00 1.27 0.00 0.00 17 R 7.55 3.71 0.00 1.22 1.65 0.00 2.94 0.00 0.00 2.97 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.53 0.00 18 E 7.68 3.97 0.00 2.08 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 2.24 2.43 0.00 19 A 7.80 3.71 0.37 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 0.00 0.00 0.00 0.00 0.00 0.00 20 A 7.93 3.96 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 21 K 7.68 4.40 0.00 1.84 1.81 0.00 1.49 0.00 0.00 1.82 0.00 0.00 3.10 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.46 7.81 22 G 7.25 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 23 E 8.37 4.13 0.00 1.92 1.85 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 2.29 2.37 0.00 24 G 8.90 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 25 R 7.66 4.10 0.00 2.20 2.47 0.00 2.98 0.00 0.00 3.18 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 26 G 8.08 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 27 E 8.21 4.31 0.00 2.30 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 0.00 2.43 2.49 0.00 28 Y 8.01 4.03 0.00 3.11 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 29 R 8.31 4.25 0.00 2.18 2.17 0.00 3.29 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.78 0.00 30 D 7.87 4.53 0.00 2.92 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 *32 A 7.86 4.19 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 33 L 8.11 4.15 0.00 1.74 1.74 1.07 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 34 K 7.80 4.24 0.00 1.95 1.78 0.00 1.54 0.00 0.00 1.55 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.41 7.81 35 L 7.81 3.86 0.00 1.67 1.59 0.87 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.19 0.00 2.13 2.02 0.00 3.70 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.10 0.00 37 V 7.66 3.59 2.03 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 0.83 0.00 0.00 0.88 0.00 0.00 38 L 7.77 3.83 0.00 1.86 1.65 0.72 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 39 V 7.97 3.51 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 0.94 0.00 0.00 0.89 0.00 0.00 40 R 7.79 3.87 0.00 1.98 1.94 0.00 3.17 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.76 0.00 41 Q 8.15 4.15 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 42 A 8.32 4.32 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 43 G 8.16 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 0.00 0.00 0.00 44 L 8.65 3.83 0.00 1.48 1.39 0.80 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.64 4.20 0.00 4.02 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 46 Q 8.14 4.03 0.00 2.38 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.47 2.45 0.00 47 A 8.32 4.02 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 48 L 8.40 3.97 0.00 1.80 1.69 0.84 0.68 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 49 A 8.17 4.13 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 50 F 7.93 4.01 0.00 3.04 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 51 V 7.70 3.60 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 0.79 0.00 0.00 1.04 0.00 0.00 52 D 8.52 4.39 0.00 2.71 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 53 S 7.55 4.73 0.00 3.91 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 54 R 7.29 3.94 0.00 1.60 1.61 0.00 3.12 0.00 0.00 3.03 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.77 0.00 *56 K 8.31 4.05 0.00 1.67 1.71 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.84 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.27 7.81 57 E 8.77 3.88 0.00 2.01 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 2.40 2.39 0.00 58 A 7.99 4.10 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 H 8.10 4.14 0.00 3.26 3.27 0.00 5.65 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 60 K 8.16 3.96 0.00 1.98 1.84 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.42 1.41 7.81 61 A 8.27 4.07 1.56 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 0.00 0.00 62 L 7.77 3.54 0.00 0.88 1.50 0.29 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 63 G 7.66 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 0.00 0.00 0.00 0.00 64 N 8.47 4.42 0.00 2.87 2.91 0.00 0.00 7.09 7.72 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 65 D 8.24 4.46 0.00 2.87 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 66 L 7.56 3.64 0.00 1.03 1.54 0.83 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.25 4.06 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 68 Q 8.51 4.77 0.00 2.35 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.74 0.00 0.00 0.00 0.00 0.00 2.63 2.47 0.00 69 V 8.18 3.77 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 1.36 0.00 0.00 70 L 7.85 4.65 0.00 2.14 1.99 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 71 G 8.44 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 0.00 0.00 0.00 72 Y 8.24 4.66 0.00 3.18 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 73 R 9.00 3.91 0.00 1.84 2.12 0.00 3.33 0.00 0.00 3.31 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.60 0.00 74 D 7.51 4.47 0.00 3.11 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 75 L 8.78 3.86 0.00 1.72 1.75 0.85 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 76 R 8.02 3.87 0.00 2.03 1.97 0.00 3.34 0.00 0.00 3.39 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.63 0.00 77 E 8.76 3.95 0.00 2.09 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 0.00 2.58 2.43 0.00 78 L 7.98 3.05 0.00 1.50 1.63 0.43 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 79 A 8.51 3.95 1.31 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 80 E 8.23 3.82 0.00 2.05 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 2.47 2.35 0.00 81 A 8.08 4.00 1.33 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 82 A 7.65 4.07 1.36 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 0.00 0.00 83 R 7.80 4.03 0.00 1.98 2.00 0.00 3.16 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.84 0.00 84 E 8.31 4.19 0.00 1.97 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 2.34 2.60 0.00 85 A 7.18 4.27 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 86 E 8.10 4.32 0.00 2.33 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 0.00 2.35 2.47 0.00 87 L 8.49 3.97 0.00 1.75 1.72 0.98 0.56 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 88 L 7.92 4.04 0.00 1.77 1.74 0.95 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 89 Q 8.12 4.11 0.00 2.34 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.92 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 90 Y 8.44 4.06 0.00 3.15 3.19 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 0.00 91 L 8.24 3.93 0.00 1.90 1.73 0.97 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 92 R 8.13 3.89 0.00 2.01 2.12 0.00 3.15 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 93 L 8.21 4.38 0.00 1.85 1.76 1.00 0.48 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 94 T 7.84 3.67 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 1.08 0.00 0.00 95 R 7.90 3.90 0.00 2.09 2.03 0.00 3.14 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 96 E 8.22 3.98 0.00 2.23 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 2.64 2.70 0.00 97 V 7.98 3.41 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 0.87 0.00 0.00 0.89 0.00 0.00 98 L 8.08 3.79 0.00 1.99 1.72 0.88 1.57 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 99 A 8.14 3.90 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 0.00 100 A 7.63 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 A 8.58 4.07 1.33 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 0.00 102 E 8.05 3.82 0.00 1.99 1.62 0.00 0.00 0.00 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 2.32 0.00 103 W 7.82 4.05 0.00 3.71 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 0.00 104 F 8.38 4.18 0.00 3.24 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 0.00 105 K 8.40 3.94 0.00 2.01 1.99 0.00 1.59 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.48 7.81 106 R 8.06 3.82 0.00 1.41 1.63 0.00 3.19 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.45 0.00 107 F 8.23 4.61 0.00 3.23 3.19 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 0.00 108 A 8.51 4.15 1.61 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 0.00 0.00 109 Q 8.16 3.94 0.00 2.17 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.92 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 110 A 7.85 4.24 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 L 8.62 4.33 0.00 1.78 1.80 1.05 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 112 I 7.41 4.44 2.10 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 1.34 0.65 1.05 0.00 0.00 113 E 8.76 4.21 0.00 1.98 1.88 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 2.33 2.26 0.00 * Residues marked with a * may have inaccurate shift predictions.