NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.3419 8.1593 117.3747 62.6351 69.8632 173.6760 2 P 4.2910 0.0000 0.0000 62.6081 31.9355 174.6658 3 Q 4.5028 8.2299 117.4117 56.0266 30.7723 176.5537 4 N 4.8376 7.3436 115.0972 50.7683 41.1636 174.9513 5 I 3.7078 8.1905 120.3750 64.3323 38.0229 178.0710 6 T 3.8444 7.8661 116.3851 66.7368 68.1731 176.3241 7 D 4.3927 8.5705 120.0855 56.9464 41.1075 178.2930 8 L 4.1395 7.9410 121.0820 58.3934 42.2733 178.1656 9 C 4.2266 8.4662 118.3912 59.6523 43.3232 175.1439 10 A 3.9519 7.7054 120.2402 54.0884 18.0708 178.5553 11 E 3.9834 8.0474 115.8009 56.7568 29.9985 176.1760 12 Y 4.6745 7.0905 116.2002 56.0371 39.6248 175.3601 13 H 4.6031 8.6496 119.4670 56.6314 29.8368 174.8746 14 N 4.4841 8.8859 116.2068 54.9033 36.0535 173.9120 15 T 5.2615 7.2443 105.6238 60.3845 71.8202 172.8638 16 Q 4.6396 8.8696 119.2834 55.2418 32.6309 173.0961 17 I 4.7501 8.2188 120.5423 60.3805 38.9539 174.8704 18 H 4.8898 9.2910 123.8771 54.3175 31.4777 173.3605 19 T 4.6765 8.5108 119.7432 62.5710 69.1855 173.4776 20 L 4.1739 8.9002 126.3489 55.4167 43.6321 177.9780 21 N 4.2086 7.8757 114.1379 53.4674 36.3125 172.8337 22 D 4.8932 7.8729 114.8360 52.6406 45.0542 174.3698 23 K 4.9097 8.3562 122.0386 55.6181 33.6407 176.7127 24 I 3.3165 8.0641 121.0462 61.3033 37.7512 176.0969 25 F 4.7069 8.8275 128.4859 60.5519 40.0187 175.7971 26 S 4.5468 7.8483 108.4482 56.6472 66.7803 172.4200 27 Y 4.8512 7.7788 121.5826 56.1205 41.2578 174.4431 28 T 4.5061 8.3124 122.8957 61.5913 72.3625 172.6291 29 E 4.8758 8.4249 124.9045 54.5187 33.3058 174.2445 30 S 4.7827 8.9701 120.0922 56.2670 65.9847 173.9736 31 L 4.6438 8.4853 124.2438 55.0817 41.0292 176.3138 32 A 4.0527 7.9160 123.7127 52.0638 18.8295 177.8957 33 G 3.7758 8.4905 111.1775 46.9084 0.0000 174.0473 34 K 4.0499 8.6324 122.0358 56.8842 30.5717 176.2858 35 R 4.7100 7.9705 117.8884 55.9583 30.7974 176.6720 36 E 4.9509 8.3608 118.8456 55.2952 28.8632 175.9009 37 M 4.8641 8.0589 120.7345 53.6706 35.8923 173.5134 38 A 5.1556 8.4474 119.2915 50.1609 22.9199 175.2597 39 I 5.1354 8.4678 120.2577 59.4384 41.4048 174.6708 40 I 5.1615 9.0549 119.9023 59.2973 40.9371 174.4116 41 T 5.3271 8.5520 112.8916 60.2594 72.7416 172.5544 42 F 5.2683 9.1869 121.2548 55.2070 41.9474 177.1274 43 K 2.9605 9.0048 119.0003 59.3685 32.3011 177.5220 44 N 4.5972 7.8416 114.3147 52.7532 38.6752 175.1708 45 G 3.9668 8.0844 105.6937 44.8932 0.0000 174.5857 46 A 4.0719 8.1811 122.9599 52.5057 19.4360 176.6819 47 T 5.0459 7.6665 117.9055 61.8310 72.4256 173.4340 48 F 5.2810 9.3962 123.2771 55.9202 43.8111 173.5340 49 Q 5.1990 9.3172 119.0557 54.5161 32.0726 174.2917 50 V 4.5178 8.3485 120.5765 61.1591 33.0736 175.2422 51 E 4.4282 8.8761 127.3868 55.5871 30.3706 177.0867 52 V 3.9323 8.2530 122.1839 61.9677 32.0619 174.1974 53 P 4.3369 0.0000 0.0000 63.0789 32.0473 175.8369 54 G 4.3171 8.6733 109.1469 44.7764 0.0000 173.0792 55 S 4.2004 8.5582 113.0915 60.6958 63.1125 175.1679 56 Q 4.0246 7.9381 118.3648 57.4755 28.7233 174.8461 57 H 5.1313 7.6938 117.0336 53.8711 30.9363 174.3929 58 I 4.1623 8.6454 117.7857 60.0382 38.8133 176.5231 59 D 4.4148 8.9322 121.3050 57.9617 40.1999 179.6629 60 S 4.1987 8.1246 113.5266 61.3373 62.8093 176.2423 61 Q 3.8924 8.2479 121.9837 58.3209 28.3982 178.1543 62 K 3.9242 7.9646 122.3161 60.2224 32.2499 180.0289 63 K 4.0148 8.0406 123.0122 59.7298 31.6540 180.6351 64 A 4.3196 7.6016 121.3388 54.6788 18.2716 179.8490 65 I 3.6663 8.0951 119.1907 64.6421 37.2320 178.4182 66 E 3.9883 7.9639 119.5821 59.3037 29.2025 179.3417 67 R 3.8975 7.9186 118.4713 59.6343 30.0727 178.2405 68 M 4.0477 8.2845 118.0768 58.6536 32.2718 178.3120 69 K 4.0755 8.1498 118.6631 59.5463 32.1182 179.0493 70 D 4.3701 8.0456 118.6695 57.6937 40.6876 178.8291 71 T 3.8732 8.1905 116.5510 66.7870 68.4229 176.6546 72 L 4.0633 8.2834 120.9949 57.6736 41.6264 179.5154 73 R 3.0373 7.9980 118.6586 59.1634 29.9461 178.6610 74 I 3.6153 8.0266 119.7055 64.3083 37.1013 178.2627 75 A 3.9747 8.3063 121.9787 55.1934 18.2681 179.0221 76 Y 3.9107 8.1149 118.0088 61.0092 38.7332 178.4845 77 L 3.8077 7.8867 118.5380 57.1113 41.7698 178.5773 78 T 4.2015 7.6209 107.2402 60.6337 69.3733 174.3017 79 E 3.6456 7.7164 119.2879 57.2606 27.5924 174.4755 80 A 4.2317 7.7242 119.9133 51.6939 19.7539 178.1150 81 K 4.5146 8.5921 122.0999 56.3057 33.2516 176.8439 82 V 3.6795 8.8647 126.3896 62.6783 32.3551 175.4220 83 E 4.4344 9.3769 131.0429 57.0770 29.7445 175.6860 84 K 5.1282 8.4855 117.1365 54.4428 37.2049 174.5905 85 L 4.9800 8.5189 121.9144 53.0712 45.1317 174.6370 86 C 5.0363 8.7677 123.8463 55.5062 45.5299 172.8111 87 V 4.8703 8.5077 118.3383 59.3029 36.4890 174.3813 88 W 4.9624 9.2702 123.5817 56.1112 30.1403 176.5785 89 N 4.4752 9.3348 122.4079 52.2733 37.5876 175.0250 90 N 4.9415 8.1498 115.3576 52.7121 37.5797 174.5086 91 K 4.7306 7.8141 116.8999 55.4133 35.9534 175.3642 92 T 4.7517 8.2278 116.8546 61.0749 71.2248 172.4946 93 P 4.5058 0.0000 0.0000 62.3025 32.5092 175.9817 94 H 4.6348 9.1309 117.5958 56.1584 30.0933 173.9878 95 A 5.2060 8.7891 124.2149 50.3678 20.7993 176.4488 96 I 4.1989 9.0260 125.1407 61.7248 37.0929 175.9500 97 A 4.4807 8.8035 128.3000 52.9480 20.8829 176.3054 98 A 4.5292 7.2438 114.1788 51.1613 22.7228 175.2267 99 I 5.0677 8.1634 118.7092 59.2279 41.4502 174.4989 100 S 4.8944 9.0911 122.3340 56.7687 66.2946 172.6260 101 M 5.1336 8.6030 120.3549 53.6611 34.9476 174.8372 102 A 4.6790 8.6510 127.0204 51.6141 22.6013 176.2596 *103 N 4.5678 8.4678 116.8162 52.7018 38.6256 174.2516 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 8.16 4.34 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 P 0.00 4.29 0.00 2.41 2.06 0.00 3.75 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 2.01 2.09 0.00 3 Q 8.23 4.50 0.00 2.04 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.77 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 4 N 7.34 4.84 0.00 2.93 2.87 0.00 0.00 5.86 7.79 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 5 I 8.19 3.71 1.83 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.49 0.87 0.00 0.00 6 T 7.87 3.84 4.37 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 1.20 0.00 0.00 7 D 8.57 4.39 0.00 2.62 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 8 L 7.94 4.14 0.00 1.86 1.83 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 9 C 8.47 4.23 0.00 3.17 3.15 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 10 A 7.71 3.95 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 11 E 8.05 3.98 0.00 1.78 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 2.27 2.64 0.00 12 Y 7.09 4.67 0.00 3.06 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 13 H 8.65 4.60 0.00 3.33 3.28 0.00 5.77 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 N 8.89 4.48 0.00 3.19 3.03 0.00 0.00 6.45 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 15 T 7.24 5.26 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 0.89 0.00 0.00 16 Q 8.87 4.64 0.00 2.09 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.86 0.00 0.00 0.00 0.00 0.00 2.30 2.44 0.00 17 I 8.22 4.75 1.85 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 1.31 0.84 0.88 0.00 0.00 18 H 9.29 4.89 0.00 2.89 3.16 0.00 5.61 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.51 4.68 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 1.17 0.00 0.00 20 L 8.90 4.17 0.00 1.18 1.09 0.31 0.42 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 21 N 7.88 4.21 0.00 2.83 2.82 0.00 0.00 6.45 8.08 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 22 D 7.87 4.89 0.00 2.96 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 23 K 8.36 4.91 0.00 1.94 1.85 0.00 1.24 0.00 0.00 2.35 0.00 0.00 2.79 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.49 1.53 7.81 24 I 8.06 3.32 2.03 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 0.96 0.55 0.96 0.00 0.00 25 F 8.83 4.71 0.00 3.05 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 26 S 7.85 4.55 0.00 3.76 3.80 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 27 Y 7.78 4.85 0.00 2.37 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 0.00 0.00 0.00 28 T 8.31 4.51 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 29 E 8.42 4.88 0.00 1.72 1.73 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 2.19 2.30 0.00 30 S 8.97 4.78 0.00 3.86 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 31 L 8.49 4.64 0.00 1.75 1.70 0.92 0.48 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 32 A 7.92 4.05 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 33 G 8.49 3.78 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 0.00 0.00 0.00 34 K 8.63 4.05 0.00 1.98 1.98 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.53 7.81 35 R 7.97 4.71 0.00 1.71 1.85 0.00 3.31 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.69 0.00 36 E 8.36 4.95 0.00 1.97 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 2.39 2.31 0.00 37 M 8.06 4.86 0.00 2.02 2.25 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.66 0.00 38 A 8.45 5.16 1.11 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 39 I 8.47 5.14 1.76 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.70 0.94 0.00 0.00 40 I 9.05 5.16 1.83 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 1.46 1.38 1.00 0.00 0.00 41 T 8.55 5.33 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 1.24 0.00 0.00 42 F 9.19 5.27 0.00 3.14 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 43 K 9.00 2.96 0.00 1.55 1.85 0.00 1.56 0.00 0.00 1.77 0.00 0.00 3.28 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.43 7.81 44 N 7.84 4.60 0.00 2.71 2.84 0.00 0.00 7.10 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 45 G 8.08 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 46 A 8.18 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 47 T 7.67 5.05 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 48 F 9.40 5.28 0.00 3.03 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 49 Q 9.32 5.20 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.78 0.00 0.00 0.00 0.00 0.00 2.62 2.36 0.00 50 V 8.35 4.52 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 1.00 0.00 0.00 1.00 0.00 0.00 51 E 8.88 4.43 0.00 1.97 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 2.50 2.24 0.00 52 V 8.25 3.93 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 0.99 0.00 0.00 0.99 0.00 0.00 53 P 0.00 4.34 0.00 2.08 1.96 0.00 3.73 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 54 G 8.67 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 0.00 0.00 0.00 0.00 55 S 8.56 4.20 0.00 3.96 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 56 Q 7.94 4.02 0.00 1.96 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.91 0.00 0.00 0.00 0.00 0.00 1.70 1.88 0.00 57 H 7.69 5.13 0.00 3.27 3.20 0.00 5.67 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 I 8.65 4.16 1.90 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.72 0.94 0.00 0.00 59 D 8.93 4.41 0.00 2.80 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 60 S 8.12 4.20 0.00 4.07 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 61 Q 8.25 3.89 0.00 2.35 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.79 0.00 0.00 0.00 0.00 0.00 2.46 2.46 0.00 62 K 7.96 3.92 0.00 1.99 1.87 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.46 1.34 7.81 63 K 8.04 4.01 0.00 1.76 1.82 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.08 7.81 64 A 7.60 4.32 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 65 I 8.10 3.67 2.02 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.60 0.90 0.00 0.00 66 E 7.96 3.99 0.00 2.10 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 2.54 2.47 0.00 67 R 7.92 3.90 0.00 1.93 2.11 0.00 3.11 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 68 M 8.28 4.05 0.00 2.31 2.13 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.67 0.00 69 K 8.15 4.08 0.00 1.92 1.96 0.00 1.76 0.00 0.00 1.67 0.00 0.00 3.14 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.67 7.81 70 D 8.05 4.37 0.00 2.91 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 71 T 8.19 3.87 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 1.22 0.00 0.00 72 L 8.28 4.06 0.00 2.04 1.93 1.03 1.14 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 73 R 8.00 3.04 0.00 1.38 1.85 0.00 2.99 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.01 0.00 74 I 8.03 3.62 1.97 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 1.42 0.42 0.88 0.00 0.00 75 A 8.31 3.97 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 76 Y 8.11 3.91 0.00 3.08 2.98 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 77 L 7.89 3.81 0.00 1.58 1.63 0.87 0.81 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 78 T 7.62 4.20 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 1.19 0.00 0.00 79 E 7.72 3.65 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.06 0.00 80 A 7.72 4.23 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 81 K 8.59 4.51 0.00 1.68 1.80 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.49 1.46 7.81 82 V 8.86 3.68 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 0.92 0.00 0.00 1.12 0.00 0.00 83 E 9.38 4.43 0.00 2.07 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 2.25 0.00 84 K 8.49 5.13 0.00 1.63 1.56 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.78 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.29 1.34 7.81 85 L 8.52 4.98 0.00 1.15 1.20 -0.04 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 86 C 8.77 5.04 0.00 2.86 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 87 V 8.51 4.87 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 1.07 0.00 0.00 88 W 9.27 4.96 0.00 3.37 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 89 N 9.33 4.48 0.00 2.61 2.81 0.00 0.00 6.97 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 90 N 8.15 4.94 0.00 2.88 2.99 0.00 0.00 5.93 7.13 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 91 K 7.81 4.73 0.00 1.85 1.74 0.00 1.61 0.00 0.00 1.82 0.00 0.00 2.83 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.38 7.81 92 T 8.23 4.75 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 1.20 0.00 0.00 93 P 0.00 4.51 0.00 2.03 2.01 0.00 3.72 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 2.02 2.09 0.00 94 H 9.13 4.63 0.00 3.19 3.46 0.00 5.90 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 95 A 8.79 5.21 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 I 9.03 4.20 1.95 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.78 0.89 0.00 0.00 97 A 8.80 4.48 -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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 A 7.24 4.53 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 99 I 8.16 5.07 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 1.39 1.10 0.90 0.00 0.00 100 S 9.09 4.89 0.00 3.89 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 0.00 101 M 8.60 5.13 0.00 1.87 1.97 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 2.49 2.52 0.00 102 A 8.65 4.68 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 *103 N 8.47 4.57 0.00 2.70 2.51 0.00 0.00 6.58 7.56 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 * Residues marked with a * may have inaccurate shift predictions.