NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 K 4.3020 8.3144 122.1417 54.2250 33.5636 174.2505 12 L 4.5686 8.2873 124.2399 52.5098 44.7886 173.4027 13 Q 4.8148 8.6436 125.5647 54.1874 31.0712 172.8479 14 F 5.1242 8.6355 126.2897 56.3240 41.6702 174.0750 15 A 4.9898 9.3597 127.6928 50.6206 22.7103 175.4489 16 L 5.4065 8.3294 121.9065 51.8842 43.6850 175.5499 17 P 4.3705 0.0000 0.0000 66.3107 31.5314 177.6671 18 H 4.3823 7.9041 113.5540 57.0382 28.7322 175.0425 19 E 4.4854 7.5657 120.6849 53.8994 31.8334 174.0068 20 T 4.1661 8.5805 121.6043 62.2908 68.1817 173.3733 21 L 4.3237 8.8431 131.1423 57.2983 42.5170 177.8405 *22 Y 4.4919 7.9353 112.7114 56.1613 39.2830 176.7104 23 S 4.4408 8.2771 113.3817 59.3951 62.0409 174.2100 *26 E 4.1495 8.3336 123.8237 55.3735 29.9217 172.2586 27 V 3.8434 7.8508 124.0743 62.7006 32.4910 176.0200 28 T 4.1972 8.4646 118.4735 64.0796 69.9086 175.2981 29 Q 5.2402 7.6681 121.2823 53.4927 33.1220 175.2383 30 V 4.4894 8.2348 122.4810 60.4274 34.9718 174.1092 31 N 4.6952 9.0941 128.8159 53.7448 39.3794 175.0452 32 L 4.8239 8.2198 127.5504 52.2672 42.9192 171.1269 33 P 4.8857 0.0000 0.0000 61.1298 32.4319 174.0462 34 A 4.3415 9.3431 133.5522 51.4451 20.1148 177.9466 35 K 3.9909 8.6094 121.8763 56.4943 31.8030 175.2106 36 S 3.6600 9.5537 123.6055 58.3962 60.2854 170.1611 37 G 3.6674 7.3212 108.0294 44.5959 0.0000 172.2300 38 R 4.7952 8.2717 118.2497 54.2016 31.4633 170.9319 39 I 3.9437 8.2706 125.4012 59.8231 38.0828 176.1264 40 G 4.0198 8.5436 116.4997 44.3998 0.0000 170.6197 41 V 3.5411 8.2301 125.1190 64.2590 32.8402 176.4332 42 L 4.7453 8.2562 128.8197 52.9851 42.7477 172.6216 43 A 4.2773 8.7039 117.5201 56.3959 18.1777 177.6336 44 N 4.7975 8.0448 112.8185 51.7671 40.3023 173.5990 45 H 4.7669 8.4176 123.5647 54.1353 31.2410 173.0884 46 V 3.2697 8.2648 125.4232 61.1889 31.7049 173.2744 47 P 4.3545 0.0000 0.0000 63.1335 31.8200 175.5665 48 T 4.6564 8.2707 119.3937 62.3115 73.4071 172.6879 49 V 4.6842 8.2583 123.0788 61.1670 33.9747 174.3681 50 E 4.7542 8.6685 127.7429 54.4246 33.2369 174.7787 51 Q 4.5228 8.7672 124.5032 55.8694 30.1826 175.2083 52 L 4.7402 9.0374 123.5757 53.5319 44.4854 177.4932 53 L 4.3971 7.9434 126.3578 53.5408 42.3387 171.5376 54 P 4.8778 0.0000 0.0000 63.9093 31.3009 176.3333 55 G 3.6692 8.0040 112.7703 46.0430 0.0000 172.6387 56 V 3.8457 7.9484 119.5784 60.7059 32.3487 173.7729 57 V 4.5523 8.3672 128.4055 60.2328 33.2710 175.0576 58 E 4.7219 8.7388 126.3134 54.8470 32.1499 171.4358 59 V 4.6527 8.5839 127.0961 61.2108 34.3581 175.4911 60 M 4.7999 8.6794 127.4441 54.1497 34.7962 176.5190 61 E 4.2147 8.9704 119.3544 55.4337 30.3906 172.4529 *69 F 4.3491 7.6437 119.8202 58.9922 40.6626 174.0147 70 I 4.7763 7.6397 125.0626 59.8192 40.3345 175.9632 71 S 4.5196 8.0988 115.8848 58.4899 63.1216 172.6893 72 G 3.8073 8.4499 106.4114 44.0207 0.0000 172.0276 73 G 3.7801 8.1621 106.9520 44.9942 0.0000 173.1303 *74 F 5.0901 8.8506 120.4811 55.8379 42.8859 170.3332 75 A 5.3348 9.0580 122.2263 50.6466 22.6013 175.7158 76 T 4.5281 8.3192 109.1559 60.4790 72.1537 172.9928 77 V 4.5604 8.5184 129.3121 61.4890 32.5547 175.9059 78 Q 4.1613 8.6316 127.0224 53.9327 28.6418 173.3626 79 P 4.4937 0.0000 0.0000 65.5298 31.3017 177.0227 80 D 4.7294 7.9305 117.1550 52.7356 39.6308 176.2625 81 S 3.7849 7.6829 113.1456 60.5399 60.6577 171.7323 82 Q 4.5938 7.9290 120.0263 54.7204 32.4825 175.6458 83 L 4.9377 8.5051 126.0170 53.9339 42.6088 172.5178 84 C 4.8019 9.4756 123.6759 57.9910 30.5456 173.6086 85 V 4.2172 9.0894 121.4897 61.5111 33.9241 173.8739 86 T 4.9837 8.6083 119.3002 60.0483 70.8252 173.7452 87 A 5.1264 8.9431 129.4084 51.2527 23.1325 177.4487 88 I 3.9551 8.6364 116.1013 62.1718 37.0044 175.7932 89 E 4.7145 7.7747 124.6883 56.8195 29.4563 179.6293 *101 I 4.0863 8.4610 124.0604 61.0608 37.9877 174.9306 102 K 4.6627 7.7870 118.9091 55.0249 33.6636 182.4516 103 N 4.6495 8.2714 118.6456 55.8335 37.9227 181.6329 104 L 4.2073 8.0809 119.2359 58.1623 41.0537 184.6050 105 L 4.1837 7.7592 120.8974 57.3878 41.0271 180.2088 106 A 4.4149 7.5865 119.6645 55.8323 18.2572 179.7614 107 E 4.1551 7.7486 117.1290 60.6098 29.6928 183.2360 108 A 4.4253 7.5523 122.5766 53.2818 18.7302 178.7528 109 K 4.4245 8.1879 123.1923 58.3401 34.3750 181.3277 110 K 4.2280 8.0345 123.1444 57.3581 31.9538 181.1067 111 N 4.4867 7.7904 112.3539 54.8757 37.5550 180.7328 112 V 4.1451 7.9027 116.0812 62.8463 31.8946 177.3294 113 S 3.6305 7.8458 114.3967 60.2063 61.4811 177.5931 *119 E 4.3712 7.8121 118.8787 55.7810 31.3440 177.7318 120 A 4.0658 7.8815 119.8125 54.7640 18.5348 179.2643 121 A 4.0312 8.0958 121.6628 55.9042 18.3587 180.1828 122 E 3.9776 8.1593 116.3302 61.1815 29.8419 181.6821 123 A 4.2497 7.8460 120.4734 54.7780 18.4017 179.6249 124 A 4.0133 8.2655 122.2007 55.8495 18.4945 180.5531 125 I 3.8525 7.8991 120.9080 65.7381 35.4409 182.0878 126 Q 4.4274 8.1268 123.8597 60.9455 27.3530 182.6998 127 V 3.9823 8.2158 123.9712 66.0139 31.4310 180.1480 128 E 4.4560 8.2756 117.4303 59.5530 30.0985 181.6626 129 V 4.4164 7.1937 117.0920 65.0858 32.6917 183.6565 130 L 4.2486 8.3620 120.9234 58.8988 41.4311 179.9273 131 E 4.0938 7.5832 119.6971 61.8056 29.6452 181.2471 132 N 4.8601 8.2104 120.7556 58.1509 38.1047 180.4571 133 L 3.7004 7.8375 127.1401 59.0435 41.9864 180.3010 134 Q 4.7916 7.6935 124.5237 56.7145 24.8482 177.3584 135 S 4.9869 7.8049 120.2558 58.7911 70.0800 176.5179 136 V 4.2392 7.5772 120.3409 61.0961 32.3640 178.7180 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 11 K 8.31 4.30 0.00 1.79 1.67 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 12 L 8.29 4.57 0.00 1.84 1.56 0.97 0.40 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 13 Q 8.64 4.81 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.56 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 14 F 8.64 5.12 0.00 3.10 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 15 A 9.36 4.99 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 16 L 8.33 5.41 0.00 1.46 1.63 0.97 1.02 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 17 P 0.00 4.37 0.00 2.19 2.18 0.00 3.87 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 1.97 0.00 18 H 7.90 4.38 0.00 3.26 3.50 0.00 5.67 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 E 7.57 4.49 0.00 2.05 1.82 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 2.27 2.29 0.00 20 T 8.58 4.17 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 21 L 8.84 4.32 0.00 1.74 1.48 0.53 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 *22 Y 7.94 4.49 0.00 2.27 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 0.00 0.00 0.00 23 S 8.28 4.44 0.00 3.86 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 *26 E 8.33 4.15 0.00 2.05 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 0.00 2.13 1.88 0.00 27 V 7.85 3.84 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 0.99 0.00 0.00 0.99 0.00 0.00 28 T 8.46 4.20 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 1.21 0.00 0.00 29 Q 7.67 5.24 0.00 1.82 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.79 0.00 0.00 0.00 0.00 0.00 2.19 2.02 0.00 30 V 8.23 4.49 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 0.98 0.00 0.00 0.95 0.00 0.00 31 N 9.09 4.70 0.00 3.01 2.75 0.00 0.00 6.55 6.06 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 32 L 8.22 4.82 0.00 1.33 1.56 0.92 0.76 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 33 P 0.00 4.89 0.00 2.04 2.14 0.00 3.56 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.08 0.00 34 A 9.34 4.34 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 35 K 8.61 3.99 0.00 1.75 1.66 0.00 1.97 0.00 0.00 1.70 0.00 0.00 2.72 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.39 1.28 7.81 36 S 9.55 3.66 0.00 3.99 3.93 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 37 G 7.32 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 38 R 8.27 4.80 0.00 1.80 1.69 0.00 3.26 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.17 0.00 39 I 8.27 3.94 1.83 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 1.15 1.19 0.78 0.00 0.00 40 G 8.54 4.02 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 0.00 0.00 0.00 41 V 8.23 3.54 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 0.87 0.00 0.00 0.83 0.00 0.00 42 L 8.26 4.75 0.00 1.71 1.48 0.92 0.81 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 43 A 8.70 4.28 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 44 N 8.04 4.80 0.00 2.68 2.74 0.00 0.00 6.59 8.16 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 45 H 8.42 4.77 0.00 2.99 3.18 0.00 5.96 0.00 0.00 0.00 0.00 6.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 8.26 3.27 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 0.82 0.00 0.00 0.93 0.00 0.00 47 P 0.00 4.35 0.00 1.94 2.00 0.00 3.76 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.96 0.00 48 T 8.27 4.66 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 1.19 0.00 0.00 49 V 8.26 4.68 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 0.76 0.00 0.00 0.91 0.00 0.00 50 E 8.67 4.75 0.00 1.96 1.68 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 2.17 2.26 0.00 51 Q 8.77 4.52 0.00 1.95 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.46 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 52 L 9.04 4.74 0.00 1.50 1.49 0.83 0.71 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 53 L 7.94 4.40 0.00 1.41 1.46 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.88 0.00 2.05 2.20 0.00 3.77 0.00 0.00 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.99 0.00 55 G 8.00 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 56 V 7.95 3.85 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 0.72 0.00 0.00 0.93 0.00 0.00 57 V 8.37 4.55 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 1.39 0.00 0.00 0.95 0.00 0.00 58 E 8.74 4.72 0.00 1.67 1.79 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 2.21 1.84 0.00 59 V 8.58 4.65 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 0.96 0.00 0.00 1.02 0.00 0.00 60 M 8.68 4.80 0.00 1.73 1.86 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.33 0.00 61 E 8.97 4.21 0.00 1.98 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 2.20 1.86 0.00 *69 F 7.64 4.35 0.00 3.04 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 70 I 7.64 4.78 1.89 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 1.67 1.31 1.01 0.00 0.00 71 S 8.10 4.52 0.00 4.11 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 72 G 8.45 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 0.00 0.00 0.00 73 G 8.16 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 *74 F 8.85 5.09 0.00 1.92 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 0.00 0.00 0.00 0.00 75 A 9.06 5.33 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 0.00 0.00 0.00 0.00 0.00 76 T 8.32 4.53 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 1.18 0.00 0.00 77 V 8.52 4.56 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 0.92 0.00 0.00 0.96 0.00 0.00 78 Q 8.63 4.16 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.44 6.63 0.00 0.00 0.00 0.00 0.00 2.29 2.21 0.00 79 P 0.00 4.49 0.00 2.02 2.12 0.00 3.62 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 2.01 2.05 0.00 80 D 7.93 4.73 0.00 2.77 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 81 S 7.68 3.78 0.00 4.03 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 82 Q 7.93 4.59 0.00 2.07 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.94 0.00 0.00 0.00 0.00 0.00 2.33 2.48 0.00 83 L 8.51 4.94 0.00 1.33 1.55 0.92 0.88 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 84 C 9.48 4.80 0.00 2.84 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 85 V 9.09 4.22 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 0.00 0.00 0.05 0.00 0.00 0.59 0.00 0.00 86 T 8.61 4.98 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 1.19 0.00 0.00 87 A 8.94 5.13 1.37 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 88 I 8.64 3.96 1.87 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 1.41 0.76 0.91 0.00 0.00 89 E 7.77 4.71 0.00 2.03 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 2.35 2.25 0.00 *101 I 8.46 4.09 1.87 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 1.27 0.63 0.91 0.00 0.00 102 K 7.79 4.66 0.00 1.61 1.72 0.00 1.75 0.00 0.00 1.85 0.00 0.00 2.91 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 0.97 7.81 103 N 8.27 4.65 0.00 2.74 2.76 0.00 0.00 6.70 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 0.00 104 L 8.08 4.21 0.00 1.57 1.70 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.76 4.18 0.00 1.64 1.69 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 106 A 7.59 4.41 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 0.00 107 E 7.75 4.16 0.00 1.83 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 0.00 2.24 2.19 0.00 108 A 7.55 4.43 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 0.00 109 K 8.19 4.42 0.00 1.75 1.68 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.24 0.95 7.81 110 K 8.03 4.23 0.00 1.68 1.85 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.89 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.00 7.81 111 N 7.79 4.49 0.00 2.78 2.77 0.00 0.00 6.82 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 V 7.90 4.15 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 0.94 0.00 0.00 0.93 0.00 0.00 113 S 7.85 3.63 0.00 3.79 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 *119 E 7.81 4.37 0.00 2.02 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 2.27 2.32 0.00 120 A 7.88 4.07 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 0.00 121 A 8.10 4.03 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 0.00 122 E 8.16 3.98 0.00 1.99 1.97 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 2.31 1.94 0.00 123 A 7.85 4.25 1.37 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 0.00 124 A 8.27 4.01 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 0.00 125 I 7.90 3.85 1.87 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 1.38 0.70 0.91 0.00 0.00 126 Q 8.13 4.43 0.00 2.01 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.77 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 127 V 8.22 3.98 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 0.71 0.00 0.00 0.93 0.00 0.00 128 E 8.28 4.46 0.00 2.07 1.87 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 2.22 2.18 0.00 129 V 7.19 4.42 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 0.78 0.00 0.00 0.93 0.00 0.00 130 L 8.36 4.25 0.00 1.72 1.71 0.95 0.74 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 0.00 131 E 7.58 4.09 0.00 2.26 1.87 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 2.26 2.20 0.00 132 N 8.21 4.86 0.00 2.82 2.76 0.00 0.00 6.55 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 0.00 133 L 7.84 3.70 0.00 1.60 1.70 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 134 Q 7.69 4.79 0.00 2.17 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.75 6.68 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 135 S 7.80 4.99 0.00 3.57 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 0.00 136 V 7.58 4.24 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 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.