NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 S 4.5606 8.3231 116.7888 58.2183 66.0715 173.7308 9 G 3.9776 6.8382 110.9029 43.1665 0.0000 173.8050 10 K 5.2307 10.6420 134.9816 56.6696 31.8641 174.4870 11 R 3.5725 6.9525 117.5865 57.6705 28.8164 174.0118 12 P 3.2026 0.0000 0.0000 63.6199 33.5929 177.9392 13 I 2.6933 7.4571 115.4424 61.9040 39.3307 176.1099 14 V 4.6537 8.9797 116.5983 60.5963 33.0994 171.3482 15 A 4.5071 7.2594 119.6939 50.2191 19.9537 176.2962 16 N 4.7824 8.3272 112.5632 51.3787 39.9451 174.8803 17 S 4.3145 8.4345 118.0882 58.4095 64.4531 174.4306 18 I 4.6222 7.9598 118.3834 59.5056 38.0116 175.3061 19 Q 4.2667 8.3663 126.3218 55.5581 30.3339 175.0112 20 R 4.9177 8.2436 118.9666 56.2696 30.6223 174.8318 21 R 4.6070 8.3104 123.4820 56.8732 34.8508 174.9836 22 G 3.8791 8.4187 106.9614 46.0028 0.0000 173.4062 23 K 4.6305 8.8562 127.4542 54.4117 33.6509 175.0025 24 A 4.9948 8.4355 126.4197 49.9698 21.3802 176.2184 25 K 4.4812 8.6172 122.8236 54.8035 33.6977 175.1086 26 R 4.4270 7.8627 121.7126 55.2640 31.5828 173.9708 27 E 3.9878 8.6744 119.3317 56.1340 29.2981 178.3851 28 G 4.8820 7.5697 127.0700 46.2753 0.0000 173.7349 29 G 3.9582 9.0334 107.2581 45.3105 0.0000 174.2294 30 V 4.4546 7.5371 116.4569 59.8813 31.1895 175.6751 31 G 4.8086 7.1240 120.9935 46.3575 0.0000 172.2453 32 K 4.5396 6.7783 117.5763 54.1949 36.8879 176.0855 33 K 4.4162 8.3732 116.4294 58.8916 31.6417 176.0162 34 T 4.5889 7.8881 106.5744 62.3628 68.9943 173.8267 35 T 4.3553 8.0516 118.9228 60.5393 71.4860 174.1510 36 G 4.2080 8.3920 110.2212 44.7288 0.0000 172.8879 37 I 4.0010 8.6069 128.9632 63.4651 37.7474 177.0269 38 S 4.5910 7.5319 112.2792 57.5998 65.5056 175.2056 39 K 4.9125 8.8733 125.9035 54.8947 33.2515 175.5600 40 R 4.6549 8.3991 125.0044 54.0575 33.3269 175.2767 41 R 4.0755 8.6668 123.7561 56.7011 30.1722 176.1281 42 Q 4.4923 8.5572 126.1395 55.1493 31.0942 174.3571 43 Y 4.7861 8.3058 122.0077 55.4208 41.3237 173.0547 44 P 4.6465 0.0000 0.0000 61.3171 31.3446 175.4255 45 N 4.3292 8.4458 123.5772 53.1785 39.4630 176.4549 46 L 4.0832 8.6223 122.8943 57.2076 39.4697 178.7851 47 Q 3.2635 6.9203 127.4588 57.5629 27.6313 176.8328 48 K 4.1971 7.2250 123.4706 55.9167 31.9988 178.0855 49 V 3.8045 8.6329 115.4499 61.7004 31.7195 169.0748 50 R 4.8009 8.3424 126.4627 55.2026 31.8653 175.4044 51 V 4.4272 9.0927 124.5328 61.2754 34.8683 174.0522 52 R 4.9415 8.6081 126.8789 54.6496 31.7577 176.0623 53 V 4.4124 8.8988 122.9787 59.5597 34.7726 176.4288 54 A 4.0732 8.9294 124.8457 53.9843 18.5629 179.1006 55 G 4.0556 7.5615 104.6868 48.7171 0.0000 172.8481 56 Q 4.5587 7.0697 121.7264 55.7029 36.9800 174.1206 57 E 4.6876 7.6345 119.4110 54.9735 31.6763 175.0840 58 I 4.2929 7.8226 120.7135 60.9720 39.8434 177.0421 59 T 4.9352 8.0797 119.6181 62.2187 72.0358 173.3453 60 F 5.2013 9.2776 124.5846 55.2572 43.1022 175.0205 61 R 4.9072 8.0974 117.8777 54.4370 29.7924 175.4069 62 V 3.7376 7.6090 120.1729 61.7471 32.3870 177.9743 63 A 4.0409 8.7752 121.9435 52.7308 17.8785 177.9214 64 A 3.8953 8.3458 120.5578 53.7934 16.3745 178.7231 65 S 4.6836 7.6482 112.2018 59.9502 67.1449 174.6746 66 H 4.8789 7.9354 116.4644 55.3178 30.9021 175.0853 67 I 3.7725 8.1428 122.1889 64.1290 37.4732 175.6030 68 P 4.3478 0.0000 0.0000 66.3746 30.6747 177.8447 69 K 3.8521 8.3986 119.9082 58.9241 31.5987 178.5264 70 V 3.7529 8.3853 118.4389 66.3703 31.3171 177.2185 71 Y 4.0423 8.5050 116.1472 61.0312 37.9207 178.0077 72 E 4.9488 8.4189 121.0160 59.1620 29.4499 178.8720 73 L 4.0418 7.8497 118.2707 57.9372 42.1170 178.7003 74 V 3.8655 8.8407 118.4719 65.1736 31.9127 177.8949 75 E 4.2981 7.9881 119.6395 55.6326 28.3098 177.4077 76 R 4.5724 7.6728 118.1842 54.9067 32.1302 175.3627 77 A 4.3782 8.2082 127.9969 50.5866 17.1226 177.7808 78 K 4.0294 8.1685 118.4554 56.7206 33.1061 176.7798 79 G 3.7312 8.0449 106.5153 45.3816 0.0000 174.3227 80 L 4.4864 7.2979 116.1380 53.2787 46.0813 177.6892 81 K 4.1997 8.4594 124.1112 55.7897 32.6859 176.1595 82 L 4.0513 8.1869 120.8347 56.8997 42.1563 177.1600 83 E 4.5825 8.7288 119.6698 56.3534 33.0496 174.8303 84 G 4.3947 8.8003 108.1437 45.9172 0.0000 173.6243 85 L 4.5070 7.6128 115.2083 56.0702 43.8150 178.5111 86 S 4.3756 8.2195 109.0965 57.6249 61.7401 171.5604 87 P 4.6333 0.0000 0.0000 66.0405 32.0252 177.0052 88 K 3.6987 7.9299 118.4373 59.0532 32.4063 178.1982 89 E 4.1289 7.9894 115.0171 59.8842 29.1914 179.0784 90 I 3.5620 7.1967 119.3541 63.8620 37.4839 176.8785 91 K 3.7288 8.8607 127.7507 58.5860 33.1209 176.9471 92 K 4.3310 8.9861 118.7300 57.9213 33.7821 177.6460 93 E 4.1587 9.0550 116.9369 57.4455 31.0199 178.1574 94 L 3.8050 8.0515 117.6479 56.9296 40.7962 178.0135 95 L 4.1390 8.6570 117.1830 55.0308 46.2360 175.2127 *96 K 4.1215 8.5997 120.1734 55.1633 32.3453 172.6538 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 8 S 8.32 4.56 0.00 3.88 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 9 G 6.84 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 10 K 10.64 5.23 0.00 2.00 1.97 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.82 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.14 1.15 7.81 11 R 6.95 3.57 0.00 1.93 1.85 0.00 3.32 0.00 0.00 3.21 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.67 0.00 12 P 0.00 3.20 0.00 2.05 1.85 0.00 3.61 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.02 0.00 13 I 7.46 2.69 1.47 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 1.38 0.61 0.86 0.00 0.00 14 V 8.98 4.65 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 0.65 0.00 0.00 0.90 0.00 0.00 15 A 7.26 4.51 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 16 N 8.33 4.78 0.00 2.80 2.62 0.00 0.00 5.89 7.64 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 17 S 8.43 4.31 0.00 3.87 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 18 I 7.96 4.62 1.93 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 1.56 0.76 1.15 0.00 0.00 19 Q 8.37 4.27 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.54 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 20 R 8.24 4.92 0.00 1.77 1.69 0.00 3.40 0.00 0.00 3.24 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 21 R 8.31 4.61 0.00 1.99 1.82 0.00 3.40 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 22 G 8.42 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 23 K 8.86 4.63 0.00 1.74 1.76 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.57 1.50 7.81 24 A 8.44 4.99 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 25 K 8.62 4.48 0.00 1.73 1.69 0.00 1.84 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.35 7.81 26 R 7.86 4.43 0.00 1.88 1.92 0.00 3.14 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.81 0.00 27 E 8.67 3.99 0.00 2.38 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 2.31 2.37 0.00 28 G 7.57 4.88 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 29 G 9.03 3.96 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 0.00 0.00 0.00 30 V 7.54 4.45 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 0.83 0.00 0.00 0.93 0.00 0.00 31 G 7.12 4.81 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 32 K 6.78 4.54 0.00 1.82 1.79 0.00 1.68 0.00 0.00 1.87 0.00 0.00 3.20 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.42 7.81 33 K 8.37 4.42 0.00 1.93 1.94 0.00 1.54 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.56 1.44 7.81 34 T 7.89 4.59 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 1.24 0.00 0.00 35 T 8.05 4.36 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 36 G 8.39 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 0.00 0.00 0.00 0.00 37 I 8.61 4.00 2.00 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 1.11 0.85 0.91 0.00 0.00 38 S 7.53 4.59 0.00 3.85 3.64 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 39 K 8.87 4.91 0.00 1.66 1.73 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.72 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.41 7.81 40 R 8.40 4.65 0.00 1.77 1.76 0.00 3.41 0.00 0.00 3.23 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.00 41 R 8.67 4.08 0.00 1.74 1.93 0.00 3.44 0.00 0.00 3.17 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 42 Q 8.56 4.49 0.00 2.25 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.70 0.00 0.00 0.00 0.00 0.00 2.39 2.33 0.00 43 Y 8.31 4.79 0.00 2.77 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.65 0.00 2.06 2.49 0.00 3.90 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.95 0.00 45 N 8.45 4.33 0.00 2.72 2.76 0.00 0.00 7.20 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 46 L 8.62 4.08 0.00 1.69 1.72 0.89 0.57 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 47 Q 6.92 3.26 0.00 2.08 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.96 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 48 K 7.22 4.20 0.00 1.73 1.19 0.00 1.83 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.53 7.81 49 V 8.63 3.80 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 0.79 0.00 0.00 0.97 0.00 0.00 50 R 8.34 4.80 0.00 1.87 1.80 0.00 3.23 0.00 0.00 3.16 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.71 0.00 51 V 9.09 4.43 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 0.83 0.00 0.00 1.00 0.00 0.00 52 R 8.61 4.94 0.00 1.65 1.74 0.00 3.18 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.55 0.00 53 V 8.90 4.41 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 0.30 0.00 0.00 0.51 0.00 0.00 54 A 8.93 4.07 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 55 G 7.56 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 56 Q 7.07 4.56 0.00 1.94 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 7.35 0.00 0.00 0.00 0.00 0.00 2.21 2.39 0.00 57 E 7.63 4.69 0.00 1.92 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 2.20 2.25 0.00 58 I 7.82 4.29 1.56 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.89 0.86 0.00 0.00 59 T 8.08 4.94 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 1.22 0.00 0.00 60 F 9.28 5.20 0.00 2.89 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 61 R 8.10 4.91 0.00 1.77 1.83 0.00 3.27 0.00 0.00 3.29 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 62 V 7.61 3.74 2.22 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 0.93 0.00 0.00 1.06 0.00 0.00 63 A 8.78 4.04 1.22 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 64 A 8.35 3.90 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 65 S 7.65 4.68 0.00 3.99 4.07 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 66 H 7.94 4.88 0.00 3.18 3.32 0.00 5.68 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 67 I 8.14 3.77 1.96 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.82 1.08 0.00 0.00 68 P 0.00 4.35 0.00 2.28 2.35 0.00 3.69 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.07 0.00 69 K 8.40 3.85 0.00 1.91 2.02 0.00 1.68 0.00 0.00 1.58 0.00 0.00 3.03 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.47 1.54 7.81 70 V 8.39 3.75 2.47 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 0.60 0.00 0.00 1.28 0.00 0.00 71 Y 8.50 4.04 0.00 3.27 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 72 E 8.42 4.95 0.00 2.08 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 2.42 2.30 0.00 73 L 7.85 4.04 0.00 2.07 1.86 0.83 1.03 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 74 V 8.84 3.87 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 0.87 0.00 0.00 0.87 0.00 0.00 75 E 7.99 4.30 0.00 2.36 1.98 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 2.39 2.56 0.00 76 R 7.67 4.57 0.00 1.75 1.84 0.00 3.38 0.00 0.00 3.25 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.57 0.00 77 A 8.21 4.38 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 78 K 8.17 4.03 0.00 1.77 1.88 0.00 1.87 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.45 1.61 7.81 79 G 8.04 3.73 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 0.00 0.00 0.00 80 L 7.30 4.49 0.00 1.60 1.55 0.92 0.99 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 81 K 8.46 4.20 0.00 1.74 1.80 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.73 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.43 7.81 82 L 8.19 4.05 0.00 1.58 1.59 0.95 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.73 4.58 0.00 1.89 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 2.14 2.31 0.00 84 G 8.80 4.39 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 0.00 85 L 7.61 4.51 0.00 1.62 1.70 0.93 0.92 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 86 S 8.22 4.38 0.00 4.10 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 87 P 0.00 4.63 0.00 2.28 2.43 0.00 3.92 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 88 K 7.93 3.70 0.00 1.83 1.88 0.00 1.71 0.00 0.00 1.86 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.53 1.47 7.81 89 E 7.99 4.13 0.00 2.11 2.22 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 2.49 2.34 0.00 90 I 7.20 3.56 2.01 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.94 1.01 0.00 0.00 91 K 8.86 3.73 0.00 1.65 1.69 0.00 1.56 0.00 0.00 1.46 0.00 0.00 2.78 0.00 0.00 3.17 0.00 0.00 0.00 0.00 0.76 1.21 7.81 92 K 8.99 4.33 0.00 1.63 1.69 0.00 1.50 0.00 0.00 1.61 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.29 1.38 7.81 93 E 9.05 4.16 0.00 1.93 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 2.34 2.40 0.00 94 L 8.05 3.81 0.00 1.85 1.53 0.87 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 95 L 8.66 4.14 0.00 1.60 1.52 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 *96 K 8.60 4.12 0.00 1.52 1.62 0.00 1.61 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.