NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.4766 8.3531 120.3235 52.0278 41.7907 176.1305 2 G 4.2463 8.2908 107.4766 44.9165 0.0000 173.7445 3 G 3.4360 9.2837 112.4503 47.6159 0.0000 173.4514 4 F 4.7633 7.9036 116.6729 57.5414 39.8888 177.9243 5 C 4.1739 8.2042 122.0710 59.9038 38.7367 175.4691 6 E 3.8821 8.0551 119.7900 59.3621 29.0884 179.6207 7 V 3.5234 7.6852 118.7975 64.6014 31.4634 178.7159 8 C 3.2874 7.8119 119.2884 59.2376 43.9463 175.7893 9 K 3.8181 7.7849 119.9299 59.2368 31.5584 179.5205 10 K 3.8652 7.7960 118.6274 59.2904 31.9955 179.0948 11 L 3.9640 8.0388 120.8196 58.3283 41.9851 179.2427 12 V 3.8088 8.2488 118.6026 65.7019 31.1560 178.1254 13 G 3.6308 7.9754 105.0144 47.8730 0.0000 174.4871 14 Y 4.1421 7.9730 122.2066 60.5055 38.8123 178.3482 15 L 3.9692 8.1638 119.6161 58.0198 41.5240 179.0848 16 D 4.3852 8.1563 117.9707 57.2036 40.8586 178.3774 17 R 4.3396 7.2938 114.8617 56.2870 30.4732 176.4911 18 N 4.8641 7.6322 114.1628 52.3246 40.4554 173.9216 19 L 4.7254 7.5031 116.6664 53.1912 45.9669 175.1898 20 E 4.6396 8.4327 122.6314 54.7009 31.9983 178.1649 *21 K 4.0485 8.5542 121.4529 57.5412 31.7176 177.9930 22 N 4.5507 8.0525 113.5593 55.5440 37.6056 175.8758 23 S 4.4229 7.6932 115.6471 58.7201 63.5028 174.8682 24 T 4.2600 8.6593 114.8291 61.1644 70.8658 176.1034 25 K 3.9195 8.5243 121.0412 59.5543 31.9669 179.3505 26 Q 3.9450 8.0234 119.3725 59.3011 29.1042 178.0190 27 E 3.9741 8.2329 119.5125 59.4658 29.3934 179.4895 28 I 3.7259 8.0768 120.0799 64.2450 37.2530 178.0972 29 L 3.9215 8.4253 121.3478 58.2464 41.7565 178.9073 30 A 4.0280 8.2837 120.4635 55.0712 18.2549 179.5060 31 A 4.1745 8.2114 119.2688 55.3890 18.2866 179.7099 32 L 4.0002 8.0473 116.6077 57.8754 41.8407 178.8951 33 E 4.3226 7.9144 114.8331 56.9404 29.9080 177.4289 34 K 4.4561 7.6345 118.9491 57.9014 33.0577 178.1834 35 G 2.8291 8.1304 106.2587 47.8632 0.0000 174.9203 36 C 4.3085 8.1830 118.6090 59.6413 39.9756 176.0177 37 S 3.8846 7.6505 114.6122 60.2863 62.7656 175.4549 38 F 4.4502 7.6603 119.6512 56.8921 39.4326 175.9610 39 L 4.3474 6.8371 118.4334 53.1502 42.5059 175.0184 40 P 4.4253 0.0000 0.0000 62.8673 32.1702 177.2477 41 D 4.4340 9.0735 122.1879 57.5695 40.4976 177.7411 42 P 4.2308 0.0000 0.0000 65.3914 31.5272 177.2715 43 Y 4.3315 8.2459 113.9937 58.6144 37.9939 176.9170 44 Q 3.9967 8.1830 121.8034 59.6763 29.1522 178.6838 45 K 4.1594 7.9688 118.6287 59.3228 32.2392 179.1267 46 Q 4.1435 8.1186 119.5546 59.3809 29.0085 178.6726 47 C 4.4664 8.7912 119.9411 59.8280 44.1796 175.0987 48 D 4.3451 8.4608 120.7866 57.5346 40.4168 178.7670 49 Q 3.9858 8.3393 119.8732 59.0121 29.1485 177.6525 50 F 3.2654 8.6865 122.0900 61.2103 39.4157 177.2014 51 V 3.2020 8.0642 117.5971 65.9016 31.1005 177.7129 52 A 3.9348 7.6923 119.0876 55.2479 18.2631 178.9349 53 E 3.9374 7.9063 116.7667 58.4270 30.0232 176.9904 54 Y 4.3148 7.4489 114.0429 57.3756 39.0444 176.8892 55 E 3.8449 8.0436 122.3430 58.8552 29.4665 176.9981 56 P 4.1992 0.0000 0.0000 65.8575 31.4738 179.0850 57 V 3.6784 7.6858 110.5940 64.0739 31.4304 178.3624 58 L 4.0114 8.0388 118.9062 58.0353 41.5217 179.6060 59 I 3.7085 7.7257 119.4668 64.5273 36.8145 178.4073 60 E 3.9893 7.7542 118.2430 59.4052 29.5187 178.9139 61 I 3.9803 8.0399 118.6932 63.8350 37.9028 177.8579 62 L 4.4762 7.9581 120.3662 56.9245 41.4881 179.3208 63 V 3.8207 7.3350 110.6452 63.2243 31.5336 177.2468 64 E 4.4166 7.9803 117.8877 56.9331 30.7121 176.5638 65 V 4.3883 6.7249 114.5415 61.3889 33.6031 172.9664 66 M 4.8382 8.5212 119.6468 54.4912 33.5491 175.5849 67 D 4.4743 8.0609 120.0292 53.3876 42.4231 174.5000 68 P 4.2615 0.0000 0.0000 65.9946 31.5425 178.8240 69 S 4.1208 8.0876 113.2512 61.5088 62.7322 176.4975 70 F 4.0353 8.8843 123.6134 61.1453 39.1922 177.1359 71 V 3.5469 8.2488 118.3288 66.5630 31.4379 177.4565 72 C 4.3143 8.1751 115.9817 59.5965 35.1293 175.8596 73 L 3.9835 7.8538 122.0174 58.1547 41.5321 178.9791 74 K 3.7210 7.5445 119.1189 59.1790 32.1263 177.5915 75 I 3.9705 7.5676 109.9277 61.5710 37.8342 176.7014 76 G 4.0364 8.0897 109.8856 45.2839 0.0000 174.5961 77 A 4.1914 8.0261 122.5474 54.2953 18.6141 177.1609 78 C 4.9673 7.6234 113.0253 54.1007 40.2264 170.4906 79 P 4.3644 0.0000 0.0000 63.0190 30.9326 176.8249 80 S 4.1694 8.3555 117.3040 58.8074 62.0985 174.3654 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 D 8.35 4.48 0.00 2.76 2.87 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 2 G 8.29 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 0.00 0.00 0.00 0.00 3 G 9.28 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 4 F 7.90 4.76 0.00 3.09 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 5 C 8.20 4.17 0.00 3.17 3.12 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 6 E 8.06 3.88 0.00 2.07 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 2.40 2.33 0.00 7 V 7.69 3.52 2.46 0.00 0.00 0.00 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 1.02 0.00 0.00 8 C 7.81 3.29 0.00 2.03 2.95 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 9 K 7.78 3.82 0.00 1.91 1.79 0.00 1.70 0.00 0.00 1.62 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.57 1.55 7.81 10 K 7.80 3.87 0.00 1.73 1.64 0.00 0.62 0.00 0.00 0.84 0.00 0.00 2.67 0.00 0.00 2.47 0.00 0.00 0.00 0.00 1.25 1.40 7.81 11 L 8.04 3.96 0.00 1.76 1.83 0.96 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 12 V 8.25 3.81 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 1.12 0.00 0.00 1.06 0.00 0.00 13 G 7.98 3.63 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 0.00 0.00 0.00 14 Y 7.97 4.14 0.00 3.16 3.22 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 15 L 8.16 3.97 0.00 1.93 1.75 1.02 1.06 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 16 D 8.16 4.39 0.00 2.80 2.71 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 0.00 0.00 0.00 0.00 17 R 7.29 4.34 0.00 1.68 1.78 0.00 3.18 0.00 0.00 3.15 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.71 0.00 18 N 7.63 4.86 0.00 2.19 2.47 0.00 0.00 6.69 7.23 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 19 L 7.50 4.73 0.00 1.61 1.47 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.43 4.64 0.00 2.36 1.78 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 2.20 2.23 0.00 *21 K 8.55 4.05 0.00 1.77 1.74 0.00 1.81 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.01 7.81 22 N 8.05 4.55 0.00 2.81 2.97 0.00 0.00 6.06 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 23 S 7.69 4.42 0.00 3.90 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 T 8.66 4.26 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 25 K 8.52 3.92 0.00 1.82 1.91 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.54 1.51 7.81 26 Q 8.02 3.95 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.90 0.00 0.00 0.00 0.00 0.00 2.43 2.52 0.00 27 E 8.23 3.97 0.00 2.22 1.99 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 2.33 2.36 0.00 28 I 8.08 3.73 2.03 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 1.42 0.82 0.94 0.00 0.00 29 L 8.43 3.92 0.00 1.79 1.92 1.02 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 30 A 8.28 4.03 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 31 A 8.21 4.17 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 32 L 8.05 4.00 0.00 1.84 1.77 0.93 1.28 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 33 E 7.91 4.32 0.00 1.97 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 2.31 2.49 0.00 34 K 7.63 4.46 0.00 2.13 2.08 0.00 1.84 0.00 0.00 1.89 0.00 0.00 3.04 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.79 1.66 7.81 35 G 8.13 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 0.00 0.00 0.00 36 C 8.18 4.31 0.00 3.03 3.18 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 37 S 7.65 3.88 0.00 3.72 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 38 F 7.66 4.45 0.00 2.88 3.22 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 39 L 6.84 4.35 0.00 1.79 1.62 0.97 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 4.43 0.00 2.44 2.08 0.00 3.56 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.16 0.00 41 D 9.07 4.43 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 42 P 0.00 4.23 0.00 1.76 1.98 0.00 3.79 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 2.03 2.16 0.00 43 Y 8.25 4.33 0.00 3.15 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 44 Q 8.18 4.00 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 45 K 7.97 4.16 0.00 1.84 1.88 0.00 1.76 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.45 7.81 46 Q 8.12 4.14 0.00 2.19 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.91 0.00 0.00 0.00 0.00 0.00 2.75 2.60 0.00 47 C 8.79 4.47 0.00 3.19 3.36 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 48 D 8.46 4.35 0.00 2.94 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 49 Q 8.34 3.99 0.00 2.34 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.75 0.00 0.00 0.00 0.00 0.00 2.62 2.50 0.00 50 F 8.69 3.27 0.00 2.76 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 51 V 8.06 3.20 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 0.91 0.00 0.00 1.06 0.00 0.00 52 A 7.69 3.93 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 53 E 7.91 3.94 0.00 1.98 1.99 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 1.74 2.13 0.00 54 Y 7.45 4.31 0.00 2.32 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 55 E 8.04 3.84 0.00 2.20 1.89 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 2.28 2.31 0.00 56 P 0.00 4.20 0.00 2.15 2.05 0.00 3.51 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 2.05 2.13 0.00 57 V 7.69 3.68 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 0.80 0.00 0.00 1.09 0.00 0.00 58 L 8.04 4.01 0.00 1.83 1.74 0.64 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 59 I 7.73 3.71 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 1.53 0.85 0.92 0.00 0.00 60 E 7.75 3.99 0.00 2.02 2.03 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 2.50 2.46 0.00 61 I 8.04 3.98 1.92 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 1.64 1.68 1.06 0.00 0.00 62 L 7.96 4.48 0.00 1.73 1.75 0.98 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 63 V 7.33 3.82 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 0.80 0.00 0.00 1.01 0.00 0.00 64 E 7.98 4.42 0.00 2.12 2.03 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 2.30 2.32 0.00 65 V 6.72 4.39 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 1.10 0.00 0.00 0.90 0.00 0.00 66 M 8.52 4.84 0.00 2.26 2.07 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.50 0.00 67 D 8.06 4.47 0.00 2.82 2.68 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 0.00 0.00 0.00 68 P 0.00 4.26 0.00 2.20 2.27 0.00 3.67 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.29 0.00 69 S 8.09 4.12 0.00 4.04 3.94 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 70 F 8.88 4.04 0.00 3.17 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 71 V 8.25 3.55 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 1.03 0.00 0.00 1.10 0.00 0.00 72 C 8.18 4.31 0.00 3.04 3.03 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 73 L 7.85 3.98 0.00 1.75 1.70 0.95 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 74 K 7.54 3.72 0.00 0.96 1.51 0.00 1.93 0.00 0.00 1.83 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.27 7.81 75 I 7.57 3.97 2.08 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 1.54 0.78 0.98 0.00 0.00 76 G 8.09 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 A 8.03 4.19 1.19 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 0.00 0.00 0.00 78 C 7.62 4.97 0.00 2.94 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 P 0.00 4.36 0.00 2.05 2.05 0.00 3.73 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 2.13 2.25 0.00 80 S 8.36 4.17 0.00 3.77 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 * Residues marked with a * may have inaccurate shift predictions.