NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9330 8.3393 109.7363 45.1102 0.0000 172.9389 2 S 3.9945 8.6107 113.4185 58.8942 62.8767 172.8398 3 R 4.6273 8.0857 121.9505 55.6692 31.5549 177.9577 4 I 3.6702 7.1412 110.4530 61.0069 38.0023 176.1801 5 A 4.2813 8.1875 126.6560 51.2254 20.2709 177.5566 6 K 4.2034 8.2627 117.5086 55.2792 30.4956 177.0097 7 R 4.1145 7.9860 123.2769 57.4668 30.6792 177.1432 8 T 3.3357 8.6076 113.2884 63.8392 65.8619 172.5844 9 A 4.1598 7.1581 122.6809 52.5976 18.9149 178.3793 10 I 4.2644 7.7501 115.8623 59.9502 36.4268 173.5868 11 N 4.3680 8.3022 123.1402 53.1871 39.9665 174.2501 12 K 3.8877 9.2826 123.6607 56.3977 30.2925 176.3387 13 T 3.1904 7.1670 114.0326 64.9691 68.7274 171.1725 14 K 4.3305 8.3337 117.7403 58.9274 33.3102 178.9933 15 K 3.8597 8.1582 118.0499 59.2499 32.4677 176.9710 16 A 4.5646 7.8466 119.9815 52.1588 18.7865 178.3611 17 D 4.4487 7.9525 121.3038 57.7760 41.3323 177.3768 18 V 4.3104 7.6503 116.2610 62.8776 33.1145 176.9452 19 K 4.1289 7.9017 119.1237 59.6983 32.6753 178.8290 20 A 3.8946 8.0762 121.9697 55.0939 18.1581 179.4369 21 I 3.3706 7.7854 116.3256 63.9768 36.9804 177.6295 22 A 3.9109 7.2213 120.5278 53.8062 19.4315 177.7748 23 D 4.5515 7.4845 114.4329 54.2442 41.5895 177.6981 24 A 4.3324 7.8820 121.6320 53.3855 20.3872 178.2866 25 W 4.9922 6.8700 118.2470 56.4752 28.8324 179.4128 26 Q 4.4187 8.4028 117.0529 57.2363 25.8615 175.2105 27 I 4.3819 7.7706 120.8901 60.8916 40.6716 174.9253 28 N 4.9893 8.4106 115.3341 56.2063 45.0972 174.0394 29 G 3.9810 8.0132 106.3080 45.3773 0.0000 173.9889 30 E 4.5295 8.2158 119.2398 56.5188 31.7674 177.6154 31 K 3.9004 7.9479 117.8371 58.4212 32.1208 178.7445 32 E 4.7842 8.3244 119.4482 58.4438 29.8858 178.6134 33 L 4.0065 7.9653 120.3414 58.5633 40.0280 178.8246 34 E 3.8595 7.5054 118.9740 59.0533 29.9441 177.8903 35 L 4.0527 7.3989 119.8992 58.6257 42.1477 178.9823 36 L 4.0393 7.8645 119.4152 57.5961 41.8256 178.2543 37 Q 4.2468 7.9572 118.6702 58.1995 28.8693 176.6632 38 Q 4.5802 7.9366 118.2622 56.5942 30.7250 174.6094 39 I 4.3081 7.9553 118.3749 62.2620 39.3748 177.3040 40 A 4.2951 8.0273 119.7140 53.3790 18.4662 177.4585 41 Q 4.5735 7.9100 113.4769 55.7266 30.4792 175.8556 42 K 4.6908 7.6624 118.0258 55.6784 32.2593 176.5396 43 P 4.3824 0.0000 0.0000 61.3616 31.8667 176.5857 44 G 3.9775 8.4038 106.1218 45.2471 0.0000 173.8873 45 A 4.5214 7.7945 117.3475 51.6490 22.3979 178.1534 46 L 4.3027 8.0716 114.9728 56.0709 41.8408 183.2407 47 R 2.9650 7.0852 112.3408 56.1446 32.8020 178.2475 48 I 3.6126 7.1143 122.4050 65.4798 37.8425 177.9934 49 L 4.3365 8.5347 119.2006 57.0441 41.7797 178.8815 50 N 4.1799 8.0343 116.9640 56.6587 38.5852 175.7149 51 H 4.0937 8.0541 119.1727 58.8280 30.1727 175.2938 52 S 4.5504 7.8785 112.3406 57.6422 64.9476 174.6886 53 L 3.6605 7.9895 122.4147 55.6731 41.8203 178.1505 54 R 3.7669 7.7541 118.6163 59.1331 30.4406 178.3664 55 L 3.9178 7.4866 116.6065 57.8716 40.7581 179.4837 56 A 3.7729 6.5970 121.5312 54.4201 18.4915 178.7952 57 A 4.5132 7.2779 116.4037 53.5825 20.3247 176.6877 58 M 4.1963 7.8568 115.3576 56.4994 30.5266 174.8889 59 T 4.3971 8.2885 118.8871 61.5548 67.8819 174.7243 60 A 4.5968 7.5538 119.8139 51.3858 19.8981 174.5080 61 H 4.1741 8.1014 118.8003 56.0475 29.0460 172.9451 62 G 4.1216 8.5490 114.6664 42.9913 0.0000 169.9919 63 K 4.3671 7.7923 134.6227 57.0862 34.0904 174.7973 64 G 4.3366 7.5996 102.2609 45.9541 0.0000 172.5179 65 E 4.8700 8.5003 122.6903 54.9404 32.7141 176.3573 66 R 4.3923 8.7656 127.2003 56.4419 31.4525 176.9881 67 V 4.4563 7.6833 107.6190 59.7290 32.6778 173.9709 68 N 4.1786 7.9620 117.7224 53.1178 43.4675 174.6621 69 E 3.9129 8.3654 115.7367 60.4410 29.7642 179.1929 70 D 4.3255 8.5254 118.8806 58.0820 41.4976 178.2088 71 Y 4.3963 7.9729 120.0852 60.8262 39.3092 177.8308 72 L 3.0736 7.1454 120.2629 57.8596 42.1149 180.0603 73 R 4.3363 8.0354 117.0625 59.5550 30.0696 178.7875 74 Q 4.1875 8.1075 115.6655 57.6320 29.2963 176.3185 75 A 4.5556 8.1281 120.2546 54.7753 19.5087 178.9786 76 F 5.0214 8.9425 108.8176 56.5840 38.6806 176.4998 77 R 4.3851 8.0449 119.3726 58.4011 36.8300 177.0664 78 E 3.9135 8.0840 115.6945 58.8599 28.8190 177.7785 79 L 4.3807 6.9481 119.3564 53.5500 42.7829 177.2376 80 D 5.0268 8.1964 130.1639 54.0656 39.4496 176.6394 81 L 3.7673 9.5168 116.0273 54.4471 38.0248 172.4982 82 D 4.5222 7.8544 118.0823 54.3067 45.3940 176.6629 83 V 4.6217 7.7332 116.5477 64.1942 38.3068 175.3885 84 D 4.3976 8.4638 118.7583 57.0736 40.7053 177.1212 85 I 4.1167 7.5278 109.2257 61.0225 38.9123 177.9517 86 S 4.5596 7.6651 119.0999 59.1479 61.9763 174.5869 87 T 4.4245 8.5442 119.1139 63.0172 68.5276 173.8501 88 L 4.7082 7.7532 122.1804 53.0074 42.9919 174.8457 89 L 4.6273 8.0276 123.8187 56.6096 44.4734 178.6727 90 R 3.9683 7.7899 119.4528 55.7826 29.5468 176.9141 *91 N 4.5299 8.5729 114.0074 53.0287 38.3022 169.8416 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 G 8.34 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 0.00 0.00 0.00 2 S 8.61 3.99 0.00 4.06 3.91 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 3 R 8.09 4.63 0.00 1.79 1.97 0.00 3.26 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.82 0.00 4 I 7.14 3.67 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 1.23 0.40 0.91 0.00 0.00 5 A 8.19 4.28 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 6 K 8.26 4.20 0.00 1.77 1.73 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.40 7.81 7 R 7.99 4.11 0.00 1.84 1.88 0.00 3.34 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 8 T 8.61 3.34 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 9 A 7.16 4.16 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 10 I 7.75 4.26 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 1.12 0.68 0.93 0.00 0.00 11 N 8.30 4.37 0.00 2.86 2.72 0.00 0.00 7.16 6.03 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 12 K 9.28 3.89 0.00 1.92 1.99 0.00 1.86 0.00 0.00 1.74 0.00 0.00 3.20 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.53 7.81 13 T 7.17 3.19 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 14 K 8.33 4.33 0.00 1.82 1.85 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.42 7.81 15 K 8.16 3.86 0.00 1.72 1.84 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.44 7.81 16 A 7.85 4.56 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 17 D 7.95 4.45 0.00 2.93 2.82 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 18 V 7.65 4.31 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 0.98 0.00 0.00 1.01 0.00 0.00 19 K 7.90 4.13 0.00 2.04 2.03 0.00 1.42 0.00 0.00 1.79 0.00 0.00 3.04 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.65 7.81 20 A 8.08 3.89 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.79 3.37 1.73 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.19 -0.68 0.00 0.00 22 A 7.22 3.91 1.16 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 23 D 7.48 4.55 0.00 2.69 2.55 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 0.00 0.00 0.00 0.00 24 A 7.88 4.33 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 0.00 0.00 0.00 0.00 0.00 25 W 6.87 4.99 0.00 3.48 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 26 Q 8.40 4.42 0.00 2.13 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.16 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 27 I 7.77 4.38 1.86 0.00 0.00 0.83 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 1.29 0.84 0.00 0.00 28 N 8.41 4.99 0.00 2.64 2.73 0.00 0.00 7.21 7.98 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 29 G 8.01 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 0.00 0.00 0.00 30 E 8.22 4.53 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 2.26 2.28 0.00 31 K 7.95 3.90 0.00 1.86 2.17 0.00 1.59 0.00 0.00 1.86 0.00 0.00 3.11 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.50 1.54 7.81 32 E 8.32 4.78 0.00 2.47 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 0.00 2.46 2.31 0.00 33 L 7.97 4.01 0.00 1.95 2.00 0.93 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 34 E 7.51 3.86 0.00 1.81 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 2.33 2.32 0.00 35 L 7.40 4.05 0.00 1.79 1.81 0.97 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 36 L 7.86 4.04 0.00 1.71 1.67 0.96 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 37 Q 7.96 4.25 0.00 2.31 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 7.05 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 38 Q 7.94 4.58 0.00 2.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.50 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 39 I 7.96 4.31 1.99 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.52 0.93 0.00 0.00 40 A 8.03 4.30 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 41 Q 7.91 4.57 0.00 2.04 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 7.62 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 42 K 7.66 4.69 0.00 1.90 1.93 0.00 1.36 0.00 0.00 1.83 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.31 1.35 7.81 43 P 0.00 4.38 0.00 2.24 2.23 0.00 3.81 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.05 0.00 44 G 8.40 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 0.00 0.00 0.00 45 A 7.79 4.52 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 46 L 8.07 4.30 0.00 1.67 1.50 0.87 1.16 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 47 R 7.09 2.97 0.00 1.95 2.10 0.00 3.38 0.00 0.00 3.33 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 48 I 7.11 3.61 1.90 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 1.53 0.74 0.94 0.00 0.00 49 L 8.53 4.34 0.00 1.81 1.90 1.09 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 50 N 8.03 4.18 0.00 2.72 2.93 0.00 0.00 6.64 7.78 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 51 H 8.05 4.09 0.00 3.14 3.41 0.00 5.94 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 S 7.88 4.55 0.00 4.00 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 53 L 7.99 3.66 0.00 1.83 1.37 0.64 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 54 R 7.75 3.77 0.00 1.80 1.79 0.00 3.10 0.00 0.00 3.11 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.52 0.00 55 L 7.49 3.92 0.00 1.75 1.56 1.19 0.45 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 56 A 6.60 3.77 0.43 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 57 A 7.28 4.51 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 58 M 7.86 4.20 0.00 2.04 2.17 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.49 0.00 59 T 8.29 4.40 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 60 A 7.55 4.60 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 61 H 8.10 4.17 0.00 3.38 3.47 0.00 5.86 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 G 8.55 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 63 K 7.79 4.37 0.00 1.69 1.65 0.00 1.84 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.15 1.21 7.81 64 G 7.60 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 0.00 0.00 0.00 0.00 65 E 8.50 4.87 0.00 2.39 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 2.37 2.33 0.00 66 R 8.77 4.39 0.00 1.91 2.06 0.00 3.35 0.00 0.00 3.20 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 67 V 7.68 4.46 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 0.88 0.00 0.00 68 N 7.96 4.18 0.00 2.94 2.82 0.00 0.00 6.71 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 69 E 8.37 3.91 0.00 2.06 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 2.35 2.34 0.00 70 D 8.53 4.33 0.00 2.84 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 71 Y 7.97 4.40 0.00 3.24 3.30 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 72 L 7.15 3.07 0.00 1.11 0.13 0.04 0.80 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 73 R 8.04 4.34 0.00 1.97 2.06 0.00 3.16 0.00 0.00 3.14 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.70 0.00 74 Q 8.11 4.19 0.00 2.07 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.96 0.00 0.00 0.00 0.00 0.00 2.42 2.50 0.00 75 A 8.13 4.56 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 76 F 8.94 5.02 0.00 3.20 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 77 R 8.04 4.39 0.00 1.91 1.82 0.00 3.17 0.00 0.00 3.08 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 1.43 0.00 78 E 8.08 3.91 0.00 2.26 2.34 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 2.71 2.35 0.00 79 L 6.95 4.38 0.00 1.58 1.65 1.01 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 80 D 8.20 5.03 0.00 2.95 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 81 L 9.52 3.77 0.00 1.78 1.91 0.45 0.76 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 82 D 7.85 4.52 0.00 2.69 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.73 4.62 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 0.89 0.00 0.00 0.93 0.00 0.00 84 D 8.46 4.40 0.00 3.04 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 85 I 7.53 4.12 1.83 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 1.20 0.71 0.84 0.00 0.00 86 S 7.67 4.56 0.00 3.99 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 87 T 8.54 4.42 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 88 L 7.75 4.71 0.00 1.60 1.58 0.93 0.93 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 89 L 8.03 4.63 0.00 1.71 1.65 0.94 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 90 R 7.79 3.97 0.00 1.94 2.06 0.00 3.07 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 *91 N 8.57 4.53 0.00 2.52 2.68 0.00 0.00 6.39 7.57 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 * Residues marked with a * may have inaccurate shift predictions.