NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2739 8.2644 123.5809 52.3855 19.7560 176.2544 2 S 4.2678 8.4351 113.0658 56.9113 63.1937 172.5238 3 A 3.9445 8.3644 128.0204 54.6299 17.4978 177.2700 4 A 4.0268 7.8348 115.7612 52.0188 17.9713 177.8139 5 K 4.6939 7.3580 122.0710 54.9780 29.9171 177.0174 6 G 3.4910 8.4706 122.1610 44.9104 0.0000 173.4524 7 D 3.6624 6.7344 118.9132 51.1956 45.4679 174.4468 8 H 4.9216 8.1449 131.8696 56.6062 31.1315 176.2078 9 G 3.4449 6.7907 101.5162 48.1928 0.0000 177.3116 10 G 3.9456 7.8189 110.2068 44.9866 0.0000 173.9215 *12 G 3.8284 8.3960 115.1516 44.8960 0.0000 172.3042 13 A 4.1116 8.6181 119.4250 55.2331 18.1326 179.5487 14 R 3.9192 8.1752 116.7013 60.1977 29.9633 178.7377 15 T 3.9969 7.9012 114.7174 66.4974 68.5529 176.8569 16 W 4.0441 8.2268 120.9382 59.6131 29.0048 178.6604 17 R 3.9041 8.7301 119.3766 59.1794 29.4746 178.0195 18 F 4.2677 8.6878 121.0312 61.7751 39.2002 177.2907 19 L 3.9746 8.2282 118.4898 57.7515 41.2554 179.4149 20 T 3.7766 8.1248 115.9148 66.7940 68.2365 176.2954 21 F 4.6692 8.1719 117.2762 58.9621 39.3770 177.5841 22 G 4.1126 8.4797 104.0370 45.0787 0.0000 173.9977 23 L 4.5483 7.6646 119.1157 56.5591 44.0126 177.8963 24 A 3.9657 8.1942 120.5969 55.3494 18.4009 179.6612 25 L 3.9731 8.2704 117.5700 57.3290 41.6363 177.7843 26 P 4.2785 0.0000 0.0000 65.9392 31.1804 178.6806 27 S 4.0808 8.2936 113.7855 61.5189 62.6469 176.9082 28 V 3.4969 7.6717 120.5087 65.8549 31.1968 177.8055 29 A 3.9442 8.3290 120.8725 55.2780 18.2109 179.5882 30 L 3.8863 8.0875 117.5201 58.2414 41.7471 179.5580 31 C 4.1297 8.4263 116.5205 62.3579 27.9222 176.3409 32 T 3.3158 7.8474 118.2685 66.0811 67.7683 176.2879 33 L 3.9119 7.7429 121.2860 58.1960 42.2257 177.8671 34 N 4.3003 7.9037 115.8113 57.0570 39.1893 176.4064 35 S 4.2498 7.8121 115.9510 61.2226 63.2727 176.5884 36 W 5.1974 8.1150 120.3989 55.5378 28.9511 175.9730 37 L 5.3247 7.5022 118.9561 55.4954 44.1071 173.1700 38 H 5.0920 8.0874 123.4441 56.0370 31.1408 175.7403 39 S 4.4406 7.6766 113.2068 58.0895 64.3756 171.6083 40 G 3.8565 8.5850 111.5313 45.9269 0.0000 173.5322 41 H 4.4366 8.2901 119.5298 55.2662 27.7958 175.4012 42 R 4.0765 8.2715 124.0184 55.6860 30.6412 176.6016 43 E 4.1670 8.6033 123.6297 55.2534 30.4162 176.6028 44 R 4.1041 8.3816 122.8207 55.5741 30.0636 174.6694 45 P 4.5051 0.0000 0.0000 61.9076 32.3587 175.9406 46 A 4.1478 8.5427 122.7298 52.5383 18.7599 177.3943 47 F 4.4274 8.9861 124.6786 58.0680 40.1512 174.6848 48 I 3.9670 7.0493 127.5818 58.6091 40.5003 174.8834 49 P 4.1728 0.0000 0.0000 61.9199 29.6397 176.4568 50 Y 4.2340 6.9836 116.9552 59.5571 38.8169 177.9256 51 H 4.4092 8.9624 120.4504 57.8268 29.2915 175.7814 52 H 4.7034 8.3586 113.2449 55.5506 28.8563 174.3987 53 L 4.7931 7.0704 118.8294 53.4744 45.1605 175.5430 54 R 3.8860 8.6817 115.2489 56.7310 27.6492 177.2577 55 I 3.6713 7.9408 116.5284 62.1375 37.6131 176.6530 56 R 4.2773 8.2797 122.8426 54.8820 31.6741 174.4756 57 T 4.3325 8.1594 112.8966 61.7761 70.3262 175.1974 58 K 4.4494 7.2728 121.3143 53.8638 35.2146 173.5627 59 P 4.1627 0.0000 0.0000 62.1597 32.1286 176.5212 60 F 3.8938 7.6945 120.4938 57.6265 39.1219 175.8068 61 S 4.3544 7.9996 118.0183 58.1901 62.8534 173.9899 62 W 5.1665 7.2994 115.8718 55.7402 31.5437 175.8454 63 G 3.7742 8.4561 108.6130 47.4248 0.0000 174.2415 64 D 4.5697 8.9141 123.9613 52.8528 39.7749 177.5803 65 G 4.2555 8.3799 109.7837 45.5341 0.0000 174.2892 66 N 5.0035 8.4446 115.6750 53.2690 39.9154 173.2813 67 H 4.9234 8.0571 114.0566 54.5396 31.2790 174.3737 68 T 3.4989 8.2132 113.4624 60.7392 69.6779 175.1128 69 F 3.0630 8.6960 124.4486 60.3835 39.3086 175.9224 70 F 5.0459 7.3545 117.9302 56.2830 39.6190 175.0186 71 H 3.9229 7.8249 119.4723 56.9410 30.2126 173.3396 72 N 4.8664 8.4328 124.1082 51.0171 39.5334 172.5987 73 P 4.3183 0.0000 0.0000 65.9160 31.7155 179.0923 74 R 4.1236 8.1757 116.2856 58.4738 29.9887 177.7616 75 V 4.4824 7.3222 104.4899 60.5601 33.5563 175.2616 76 N 4.8088 8.3960 118.1691 50.5832 38.2343 172.8739 77 P 4.0910 0.0000 0.0000 61.9294 32.3227 176.5284 78 L 4.3249 8.1095 120.3291 53.2364 42.4748 176.3253 79 P 3.8480 0.0000 0.0000 65.7482 31.1676 177.5987 80 T 4.1440 7.7097 105.5122 60.8026 69.4779 173.0782 81 G 2.3003 7.6494 109.2973 43.0648 0.0000 172.9658 82 Y 4.2682 7.6789 116.9605 57.7811 38.2724 176.6956 83 E 4.2619 8.5472 122.8011 55.8780 30.4957 177.2438 84 K 4.1764 8.4373 118.7752 56.9426 32.1418 177.3135 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 A 8.26 4.27 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 2 S 8.44 4.27 0.00 3.87 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 3 A 8.36 3.94 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 4 A 7.83 4.03 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 5 K 7.36 4.69 0.00 1.62 0.75 0.00 1.67 0.00 0.00 1.52 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.33 7.81 6 G 8.47 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 D 6.73 3.66 0.00 2.55 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.14 4.92 0.00 3.20 3.40 0.00 6.04 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 G 6.79 3.44 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 0.00 10 G 7.82 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 *12 G 8.40 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 A 8.62 4.11 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 14 R 8.18 3.92 0.00 1.94 2.02 0.00 3.20 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.78 0.00 15 T 7.90 4.00 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 0.79 0.00 0.00 16 W 8.23 4.04 0.00 3.48 3.24 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 17 R 8.73 3.90 0.00 2.04 2.23 0.00 3.24 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.88 0.00 18 F 8.69 4.27 0.00 3.28 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 19 L 8.23 3.97 0.00 1.76 1.61 -0.10 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 20 T 8.12 3.78 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 0.71 0.00 0.00 21 F 8.17 4.67 0.00 3.08 3.01 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 22 G 8.48 4.11 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 0.00 23 L 7.66 4.55 0.00 1.69 1.76 0.90 0.94 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 24 A 8.19 3.97 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 25 L 8.27 3.97 0.00 1.79 1.80 1.04 1.23 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 26 P 0.00 4.28 0.00 2.31 2.14 0.00 3.75 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.26 0.00 27 S 8.29 4.08 0.00 3.97 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 28 V 7.67 3.50 2.21 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 1.05 0.00 0.00 0.96 0.00 0.00 29 A 8.33 3.94 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 30 L 8.09 3.89 0.00 1.80 1.69 0.91 1.06 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 31 C 8.43 4.13 0.00 2.81 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 T 7.85 3.32 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 0.88 0.00 0.00 33 L 7.74 3.91 0.00 1.77 1.83 0.93 1.20 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 34 N 7.90 4.30 0.00 2.68 2.74 0.00 0.00 7.37 7.20 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 35 S 7.81 4.25 0.00 3.37 3.06 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 36 W 8.12 5.20 0.00 3.17 2.94 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 37 L 7.50 5.32 0.00 1.73 1.85 0.97 1.11 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 38 H 8.09 5.09 0.00 3.51 3.39 0.00 5.95 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 S 7.68 4.44 0.00 4.02 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 40 G 8.58 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 41 H 8.29 4.44 0.00 3.16 3.29 0.00 5.71 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 42 R 8.27 4.08 0.00 1.81 1.89 0.00 3.27 0.00 0.00 3.30 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 43 E 8.60 4.17 0.00 1.93 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 2.26 2.22 0.00 44 R 8.38 4.10 0.00 1.99 1.87 0.00 2.27 0.00 0.00 3.01 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.25 0.00 45 P 0.00 4.51 0.00 2.32 2.17 0.00 3.99 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 2.17 2.07 0.00 46 A 8.54 4.15 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 47 F 8.99 4.43 0.00 3.08 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 48 I 7.05 3.97 1.23 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.61 -0.23 0.00 0.00 49 P 0.00 4.17 0.00 2.06 2.15 0.00 3.35 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.92 0.00 50 Y 6.98 4.23 0.00 2.95 2.86 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 0.00 0.00 0.00 51 H 8.96 4.41 0.00 3.23 3.41 0.00 5.69 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 H 8.36 4.70 0.00 3.28 3.40 0.00 5.47 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 53 L 7.07 4.79 0.00 1.61 1.57 0.91 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 54 R 8.68 3.89 0.00 1.97 2.04 0.00 3.47 0.00 0.00 3.30 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.75 0.00 55 I 7.94 3.67 1.90 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 1.44 0.76 0.91 0.00 0.00 56 R 8.28 4.28 0.00 1.65 1.68 0.00 3.12 0.00 0.00 3.04 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.47 0.00 57 T 8.16 4.33 4.19 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 1.18 0.00 0.00 58 K 7.27 4.45 0.00 1.58 1.49 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.19 1.36 7.81 59 P 0.00 4.16 0.00 1.92 1.81 0.00 3.61 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.98 0.00 60 F 7.69 3.89 0.00 2.10 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 61 S 8.00 4.35 0.00 4.16 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 62 W 7.30 5.17 0.00 3.50 3.45 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 63 G 8.46 3.77 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 0.00 0.00 0.00 64 D 8.91 4.57 0.00 2.80 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 65 G 8.38 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 0.00 0.00 0.00 0.00 66 N 8.44 5.00 0.00 2.60 2.88 0.00 0.00 7.00 7.47 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 67 H 8.06 4.92 0.00 3.14 3.16 0.00 5.95 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 T 8.21 3.50 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 1.30 0.00 0.00 69 F 8.70 3.06 0.00 2.36 2.24 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 70 F 7.35 5.05 0.00 3.12 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 71 H 7.82 3.92 0.00 3.32 3.31 0.00 5.88 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 N 8.43 4.87 0.00 2.74 2.64 0.00 0.00 7.19 7.71 0.00 0.00 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 P 0.00 4.32 0.00 2.23 2.17 0.00 3.65 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.22 0.00 74 R 8.18 4.12 0.00 1.96 1.95 0.00 3.01 0.00 0.00 3.09 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.53 0.00 75 V 7.32 4.48 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 0.73 0.00 0.00 0.98 0.00 0.00 76 N 8.40 4.81 0.00 2.70 2.83 0.00 0.00 6.99 7.63 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 77 P 0.00 4.09 0.00 1.47 0.49 0.00 3.71 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.83 0.00 78 L 8.11 4.32 0.00 1.68 1.53 0.80 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 79 P 0.00 3.85 0.00 2.03 2.17 0.00 3.62 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 80 T 7.71 4.14 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 1.19 0.00 0.00 81 G 7.65 2.30 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 0.00 0.00 0.00 82 Y 7.68 4.27 0.00 2.92 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.55 4.26 0.00 2.03 1.93 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 2.34 2.38 0.00 84 K 8.44 4.18 0.00 1.75 1.73 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.44 7.81 * Residues marked with a * may have inaccurate shift predictions.