NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2780 8.3001 118.7933 54.5944 34.1292 175.9072 2 A 3.4594 7.9032 118.5336 52.8288 15.3977 176.0770 *3 H 4.7453 8.1300 119.3163 54.3262 31.3772 176.8259 4 K 4.8408 7.8637 124.3578 56.1038 33.4432 178.1720 5 K 4.6255 8.2181 109.4219 55.7236 34.0714 171.1270 6 G 3.9499 8.3780 112.5651 46.8292 0.0000 172.9911 7 L 4.8293 8.2027 118.1532 52.3445 44.9199 176.2030 8 G 4.0765 8.3313 112.9536 45.0683 0.0000 174.8103 9 S 4.2196 7.7405 111.9575 58.8332 62.6572 175.9558 10 T 4.0228 7.7222 119.4681 64.8635 67.6159 174.6123 11 R 4.4057 8.5056 126.3117 56.4321 30.7318 175.9960 12 N 5.0137 7.7202 114.3175 53.2704 39.3717 175.1566 13 G 3.7410 7.9618 105.9960 46.0867 0.0000 172.7660 14 R 4.5167 8.1070 115.7731 54.2242 30.2985 174.2353 15 D 4.3917 7.8161 117.9027 53.9940 43.7381 175.9383 16 S 4.5577 8.5495 120.9241 57.4425 64.0313 174.1156 17 Q 4.0843 8.3453 120.3720 55.4165 29.1602 175.9563 18 A 3.9440 8.6019 123.6437 53.2199 18.5409 177.4886 19 K 4.2306 8.7619 121.2512 55.8793 32.9145 177.2588 20 R 3.6428 7.6549 115.8665 57.1728 26.8820 174.7508 21 L 4.3828 7.3920 118.9199 52.7810 44.4946 176.0293 22 G 3.9006 8.9133 105.6888 44.4960 0.0000 173.2237 23 V 3.7988 7.9682 117.8621 63.4280 31.5480 175.7108 24 K 4.4145 8.5899 122.4307 55.6999 33.9579 176.7346 25 R 4.3695 7.3100 117.4137 54.6856 33.7761 174.2425 26 Y 4.7289 8.4123 120.1379 56.0251 39.7127 174.4755 27 E 4.3347 8.8745 121.9795 58.7680 29.8200 177.4304 28 G 4.0149 9.3006 114.2553 45.1829 0.0000 172.5558 29 Q 4.6285 7.8057 119.2817 53.8735 30.6193 175.5266 30 V 3.8615 8.4595 124.2862 63.3423 32.5226 175.2050 31 V 4.6768 8.3799 118.7688 59.9935 36.6443 174.2743 32 R 5.1104 8.4826 119.4695 53.9452 33.4047 175.6238 33 A 4.0463 8.4511 123.7303 54.1883 18.1303 176.6784 34 G 4.1407 9.3960 110.6979 45.4776 0.0000 173.7757 35 N 4.0939 8.2863 116.5219 53.1885 39.2558 174.3639 36 I 4.4612 8.4306 124.1881 60.6637 38.8537 175.0527 37 L 4.6417 9.3410 127.6177 55.3644 44.8417 176.5705 38 V 4.7219 7.4932 116.9998 61.6202 35.2263 172.7037 39 R 5.1261 8.7521 126.7004 54.4336 32.4637 174.9573 40 Q 4.6645 8.5493 120.5502 54.9445 31.3449 174.5464 41 R 4.1622 9.1966 119.6038 58.0694 31.5718 179.3807 42 G 4.1806 7.5596 109.6469 46.2964 0.0000 174.4378 43 T 3.7738 8.8278 117.6066 63.5726 67.9533 177.8837 44 R 3.3826 6.5878 117.9302 56.6256 30.8431 175.8913 45 F 4.8381 8.9646 114.5908 55.4821 41.8092 175.0189 46 K 4.5455 8.7219 122.7834 53.8602 34.4604 174.1885 47 P 4.6024 0.0000 0.0000 63.0035 32.4768 176.2943 48 G 4.3109 8.4202 111.0572 44.7904 0.0000 171.0355 49 K 4.0344 8.6063 119.9671 57.3409 32.0060 176.0033 50 N 4.3221 9.0166 123.0217 53.9456 35.6596 174.5204 51 V 4.3584 7.6530 117.2534 61.5690 34.5454 175.1172 52 G 3.4892 7.4734 116.4078 45.8411 0.0000 171.3056 53 M 5.2437 8.3602 117.8731 54.7723 35.2123 175.1554 54 G 4.0892 9.4768 114.5017 44.7560 0.0000 174.5446 55 R 3.6409 8.7344 118.4815 58.5737 29.9883 177.6238 56 D 4.3293 7.8439 114.5466 52.6982 39.5564 176.5997 57 F 4.3080 8.7331 116.8572 58.5066 37.0405 174.8768 58 T 4.3067 7.9013 119.3387 63.8661 69.2353 173.3073 59 L 5.2962 8.7767 127.0608 53.4395 43.8643 175.7312 60 F 5.4237 8.2470 117.1842 54.5821 41.8932 173.9778 61 A 4.2703 9.2148 122.6803 52.9230 18.8296 178.0139 62 L 4.6808 8.3654 118.1966 54.8902 44.3321 176.5915 63 V 4.6191 7.4842 109.6443 59.4426 35.8184 174.6057 64 D 4.6715 8.4623 120.9578 54.6077 41.9897 175.4934 65 G 4.1640 8.1283 105.2518 43.6401 0.0000 173.4646 66 V 3.9826 8.0855 120.0754 62.7649 32.8352 175.2196 67 V 4.5742 8.2435 127.1445 62.5003 33.1550 174.5724 68 E 5.1715 9.6126 123.9783 54.7751 33.0636 174.2354 69 F 5.3873 8.8484 118.9516 56.1807 42.1194 175.2045 70 Q 4.6649 9.2480 119.7082 54.5831 33.1334 173.2132 71 D 5.3449 8.9678 123.5022 51.8854 43.4490 176.4198 72 R 4.6983 8.6387 125.2167 58.2646 32.2723 176.6072 73 G 3.9538 8.0720 114.1362 45.7708 0.0000 177.4595 74 R 3.9198 8.9060 125.3417 58.8332 29.9851 177.4587 75 L 4.0778 8.5478 118.2529 57.6406 42.0550 175.7385 76 G 3.7070 7.8143 103.1162 44.0537 0.0000 172.1685 77 R 5.3123 8.1270 117.0125 55.0524 32.6959 175.5481 78 Y 5.5553 9.4933 119.5039 55.1617 42.2569 174.4117 79 V 4.3128 8.2373 122.8926 61.4244 33.8929 174.0883 80 H 5.3490 9.1239 123.9997 53.9525 33.1662 172.5209 81 V 4.7114 8.4723 120.9838 61.1001 32.5758 175.2991 82 R 4.3092 8.6725 126.2272 54.9352 30.6657 176.0295 83 P 4.9699 0.0000 0.0000 62.5157 31.6783 173.9390 84 L 4.4146 7.9404 116.8230 55.8515 42.9486 174.7734 85 A 4.1894 8.1940 120.5959 52.6293 19.2035 175.9023 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 M 8.30 4.28 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.12 0.00 2 A 7.90 3.46 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 *3 H 8.13 4.75 0.00 2.94 2.85 0.00 7.16 0.00 0.00 0.00 0.00 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 K 7.86 4.84 0.00 1.74 1.53 0.00 1.83 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.25 0.96 7.81 5 K 8.22 4.63 0.00 1.72 1.62 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.11 0.83 7.81 6 G 8.38 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 7 L 8.20 4.83 0.00 1.63 1.40 0.92 0.70 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 8 G 8.33 4.08 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 0.00 0.00 0.00 9 S 7.74 4.22 0.00 3.65 3.74 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 10 T 7.72 4.02 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 1.25 0.00 0.00 11 R 8.51 4.41 0.00 1.76 1.93 0.00 3.19 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 12 N 7.72 5.01 0.00 2.72 2.78 0.00 0.00 6.94 7.65 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 13 G 7.96 3.74 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 0.00 0.00 0.00 14 R 8.11 4.52 0.00 1.89 2.14 0.00 3.26 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.40 0.00 15 D 7.82 4.39 0.00 2.55 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 0.00 0.00 0.00 0.00 16 S 8.55 4.56 0.00 3.90 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 17 Q 8.35 4.08 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.85 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 18 A 8.60 3.94 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 19 K 8.76 4.23 0.00 1.75 1.86 0.00 1.80 0.00 0.00 1.81 0.00 0.00 3.08 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.51 7.81 20 R 7.65 3.64 0.00 1.90 1.93 0.00 3.36 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 21 L 7.39 4.38 0.00 1.66 1.67 0.95 1.11 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 22 G 8.91 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 23 V 7.97 3.80 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 0.50 0.00 0.00 0.78 0.00 0.00 24 K 8.59 4.41 0.00 1.59 1.68 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.46 7.81 25 R 7.31 4.37 0.00 1.62 1.74 0.00 3.17 0.00 0.00 3.19 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.67 0.00 26 Y 8.41 4.73 0.00 3.29 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 27 E 8.87 4.33 0.00 2.26 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 2.46 2.69 0.00 28 G 9.30 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 0.00 0.00 0.00 29 Q 7.81 4.63 0.00 2.29 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.94 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 30 V 8.46 3.86 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 0.78 0.00 0.00 0.95 0.00 0.00 31 V 8.38 4.68 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 0.81 0.00 0.00 0.99 0.00 0.00 32 R 8.48 5.11 0.00 1.91 1.81 0.00 3.15 0.00 0.00 3.35 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 33 A 8.45 4.05 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 34 G 9.40 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.29 4.09 0.00 2.85 2.82 0.00 0.00 6.54 7.92 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 36 I 8.43 4.46 1.91 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 1.54 1.05 0.90 0.00 0.00 37 L 9.34 4.64 0.00 1.57 1.52 0.80 0.41 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 38 V 7.49 4.72 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 0.73 0.00 0.00 0.64 0.00 0.00 39 R 8.75 5.13 0.00 1.76 1.81 0.00 3.33 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.67 0.00 40 Q 8.55 4.66 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 7.09 0.00 0.00 0.00 0.00 0.00 2.31 2.63 0.00 41 R 9.20 4.16 0.00 1.89 2.04 0.00 3.30 0.00 0.00 3.29 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.75 0.00 42 G 7.56 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 0.00 0.00 0.00 0.00 43 T 8.83 3.77 3.71 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 1.01 0.00 0.00 44 R 6.59 3.38 0.00 2.30 2.21 0.00 3.25 0.00 0.00 3.32 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 45 F 8.96 4.84 0.00 2.70 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 46 K 8.72 4.55 0.00 0.79 1.36 0.00 1.28 0.00 0.00 1.52 0.00 0.00 2.76 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.12 0.96 7.81 47 P 0.00 4.60 0.00 2.16 1.97 0.00 3.59 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 48 G 8.42 4.31 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 0.00 49 K 8.61 4.03 0.00 1.81 1.76 0.00 1.80 0.00 0.00 1.72 0.00 0.00 2.77 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.43 1.30 7.81 50 N 9.02 4.32 0.00 3.03 2.87 0.00 0.00 6.46 7.68 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 51 V 7.65 4.36 2.26 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 0.58 0.00 0.00 0.89 0.00 0.00 52 G 7.47 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 53 M 8.36 5.24 0.00 2.04 1.96 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.68 0.00 54 G 9.48 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 R 8.73 3.64 0.00 1.72 1.95 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 1.61 1.60 0.00 56 D 7.84 4.33 0.00 2.65 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.73 4.31 0.00 3.23 3.25 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 58 T 7.90 4.31 4.33 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 1.30 0.00 0.00 59 L 8.78 5.30 0.00 1.57 1.49 0.92 0.93 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 60 F 8.25 5.42 0.00 3.32 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 61 A 9.21 4.27 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 62 L 8.37 4.68 0.00 1.62 1.64 0.75 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 63 V 7.48 4.62 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 0.92 0.00 0.00 64 D 8.46 4.67 0.00 2.68 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 8.13 4.16 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 0.00 66 V 8.09 3.98 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 0.99 0.00 0.00 0.95 0.00 0.00 67 V 8.24 4.57 2.33 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 0.93 0.00 0.00 0.95 0.00 0.00 68 E 9.61 5.17 0.00 2.08 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 2.37 2.40 0.00 69 F 8.85 5.39 0.00 2.99 3.13 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 70 Q 9.25 4.66 0.00 2.24 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 71 D 8.97 5.34 0.00 2.72 2.57 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 0.00 0.00 0.00 0.00 72 R 8.64 4.70 0.00 1.89 1.78 0.00 3.25 0.00 0.00 3.03 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.70 0.00 73 G 8.07 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 74 R 8.91 3.92 0.00 1.81 2.05 0.00 3.37 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 1.65 1.64 0.00 75 L 8.55 4.08 0.00 1.82 1.84 0.88 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 76 G 7.81 3.71 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 0.00 0.00 0.00 77 R 8.13 5.31 0.00 1.28 1.87 0.00 2.79 0.00 0.00 2.55 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.42 0.00 78 Y 9.49 5.56 0.00 2.83 2.67 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 79 V 8.24 4.31 1.77 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 -0.02 0.00 0.00 0.70 0.00 0.00 80 H 9.12 5.35 0.00 3.11 3.23 0.00 5.63 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 81 V 8.47 4.71 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 0.81 0.00 0.00 0.94 0.00 0.00 82 R 8.67 4.31 0.00 1.95 2.06 0.00 2.84 0.00 0.00 3.39 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.59 0.00 83 P 0.00 4.97 0.00 2.19 2.15 0.00 3.38 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.91 0.00 84 L 7.94 4.41 0.00 1.71 1.68 0.93 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 85 A 8.19 4.19 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 * Residues marked with a * may have inaccurate shift predictions.