NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3054 8.3001 118.7934 53.6512 34.1672 176.0649 2 A 3.4230 7.9292 119.4881 52.9903 15.3293 176.6515 *3 H 4.5995 8.2835 118.6885 55.4660 31.0555 177.3152 4 K 4.6728 7.8652 123.5519 55.5342 31.8516 179.7282 5 K 4.5417 8.0051 108.7473 55.7037 33.7938 172.6451 6 G 3.8669 8.1402 112.3772 46.6747 0.0000 172.7096 7 L 4.4907 7.8708 118.7962 53.1175 44.8952 175.8446 8 G 4.0353 8.4617 106.0516 46.3419 0.0000 173.9048 9 S 4.5046 8.8091 121.0286 58.0675 62.6098 170.2273 10 T 3.9295 7.0570 115.8945 65.3183 67.9030 173.8667 11 R 4.7443 8.3006 128.4219 56.0569 30.5987 174.8954 12 N 4.8633 8.2925 111.5265 51.7255 40.8696 174.4442 13 G 3.6539 8.2432 106.7457 46.9059 0.0000 172.8709 14 R 4.3550 7.5054 123.1991 55.1372 33.4949 173.8346 15 D 4.7326 8.0356 122.7845 54.5321 43.3459 176.4142 16 S 4.6605 8.1807 120.2968 57.1729 64.3869 174.1675 17 Q 4.2146 8.2754 119.8456 55.2571 29.4045 175.9172 18 A 4.1185 8.4299 122.4649 52.9557 18.8289 177.6684 19 K 4.3655 8.4939 118.5316 55.2887 33.0836 177.4042 20 R 3.4400 7.5775 108.8722 57.2829 27.2300 174.8117 21 L 4.6184 7.8276 125.7147 52.7332 44.9966 173.9626 22 G 3.6932 8.6658 104.9982 43.8451 0.0000 173.2038 23 V 3.7737 8.1800 119.0566 62.8389 31.0657 175.7229 24 K 3.9416 8.8131 128.3150 57.6289 32.3859 177.3853 25 R 4.2002 7.2076 115.9342 53.8198 30.9229 174.4619 26 Y 4.2770 7.5308 120.7080 56.9995 38.7849 175.5710 27 E 4.3557 8.3314 122.2512 58.1252 30.0886 176.9209 28 G 4.0616 9.2464 114.5500 45.1540 0.0000 173.4871 29 Q 4.3125 7.7715 119.2195 55.1287 29.7892 175.8817 30 V 4.0702 8.4684 124.8931 63.2617 32.3257 175.4370 31 V 4.6426 9.2814 119.8329 59.8821 36.0258 175.0494 32 R 4.9771 8.4090 121.1395 54.6593 32.4768 175.7299 33 A 4.1316 7.9256 121.9604 53.0153 18.5022 176.9999 34 G 3.9347 9.1014 108.7400 45.3609 0.0000 173.1675 35 N 4.3840 7.6955 116.5613 53.4555 39.5608 174.8802 36 I 4.3025 8.4088 118.2929 61.3983 37.9951 175.9481 37 L 4.3842 10.0037 126.2288 56.4058 43.6188 176.9947 38 V 4.7672 7.4488 117.3463 61.3549 35.4860 174.0255 39 R 4.6951 8.9392 127.3201 54.8469 31.2605 175.2354 40 Q 4.8841 8.5438 121.5019 54.2698 31.4828 175.8034 41 R 4.2311 9.2128 119.8912 59.0357 31.4585 177.9632 42 G 3.9273 7.3790 104.5448 46.2374 0.0000 173.9277 43 T 4.1421 7.7404 114.7739 60.7551 67.4249 175.2654 44 R 3.7635 7.9770 121.1738 58.4663 30.3502 176.8296 45 F 4.7226 8.3425 115.4241 55.4207 42.2556 175.2753 46 K 4.0860 8.8718 124.7344 55.1838 33.2030 174.8859 47 P 4.4373 0.0000 0.0000 62.4243 31.7523 176.2057 48 G 4.2742 8.4702 111.6423 45.6634 0.0000 174.1003 49 K 4.0773 9.1421 123.9397 56.8455 33.2655 177.1649 50 N 4.2629 8.7809 123.0652 53.6478 35.9633 174.2504 51 V 4.6493 7.4314 115.4987 61.6508 35.0696 174.0874 52 G 4.0896 8.4021 114.4375 44.3098 0.0000 171.2361 53 M 5.7596 7.7705 116.8902 52.3661 34.9494 174.5190 54 G 4.3800 7.8783 107.7590 44.6602 0.0000 175.0789 55 R 3.5005 7.6808 117.2132 58.9185 30.2591 178.1320 56 D 4.3579 7.7444 115.1557 53.4706 39.9389 176.8976 57 F 4.0290 8.3733 116.1852 59.2823 37.6863 175.5293 58 T 4.2823 8.2982 119.1964 63.9528 68.8208 173.3612 59 L 4.8131 8.6498 127.5628 53.7468 43.5457 175.9937 60 F 5.1234 8.4959 117.2451 54.8576 41.8833 173.9381 61 A 4.6109 8.9398 122.5626 52.6151 19.1018 177.9723 62 L 4.7529 8.3973 118.1105 55.1262 43.6280 176.3735 63 V 4.4929 7.3694 110.7096 60.4673 36.4256 172.5727 64 D 4.9667 8.7083 120.7018 52.8914 42.3509 177.2895 65 G 3.8583 8.1186 110.2690 46.0114 0.0000 171.2520 66 V 4.5491 7.3714 118.8700 61.8896 33.5864 175.9952 67 V 4.7033 8.0444 125.4363 61.9592 33.1733 174.4941 68 E 5.2477 9.6485 125.4240 54.8110 32.5466 175.0797 69 F 5.1978 10.5764 123.2845 56.6598 41.6608 174.9586 70 Q 4.6857 8.8673 119.0268 55.4932 32.7631 172.3558 71 D 5.1546 8.8581 125.6479 52.8801 43.1004 176.0648 72 R 4.6670 9.0030 122.0377 55.4222 33.5683 177.6086 73 G 3.9117 8.3786 111.9265 45.9570 0.0000 177.8050 74 R 3.8563 9.0213 124.0782 59.0415 30.0661 177.4197 75 L 4.0889 8.7315 118.1853 58.3219 42.0372 175.9647 76 G 3.8527 7.1713 103.2158 43.7757 0.0000 171.6186 77 R 5.1703 8.4094 118.0577 54.8311 32.3004 175.5743 78 Y 5.7005 9.4271 121.0817 55.4714 41.9028 174.8427 79 V 4.6140 7.8517 120.0473 61.4932 35.1954 173.8387 80 H 5.2549 9.3003 121.9220 54.6187 32.7451 171.8848 81 V 4.9310 8.6859 119.4437 61.0326 33.4463 174.6604 82 R 4.6136 8.8095 125.4480 53.8531 31.2031 175.7205 83 P 5.0130 0.0000 0.0000 62.9244 32.2169 173.6544 84 L 4.2825 7.9283 117.0030 56.0360 42.2697 174.8147 85 A 4.1869 8.3903 121.1310 53.0641 19.1859 176.1003 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 4.31 0.00 2.05 2.01 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 7.93 3.42 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.28 4.60 0.00 2.95 2.86 0.00 7.18 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 K 7.87 4.67 0.00 1.75 1.45 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.27 0.97 7.81 5 K 8.01 4.54 0.00 1.70 1.60 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.14 0.87 7.81 6 G 8.14 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 0.00 0.00 0.00 7 L 7.87 4.49 0.00 1.63 1.42 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 8 G 8.46 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 9 S 8.81 4.50 0.00 3.64 3.76 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 10 T 7.06 3.93 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 11 R 8.30 4.74 0.00 1.88 1.82 0.00 3.18 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.64 0.00 12 N 8.29 4.86 0.00 2.69 2.77 0.00 0.00 7.10 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 8.24 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 R 7.51 4.36 0.00 1.91 1.80 0.00 3.34 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.43 0.00 15 D 8.04 4.73 0.00 2.67 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 16 S 8.18 4.66 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 8.28 4.21 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.94 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 18 A 8.43 4.12 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 8.49 4.37 0.00 1.74 1.81 0.00 1.85 0.00 0.00 2.07 0.00 0.00 3.04 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.34 1.34 7.81 20 R 7.58 3.44 0.00 2.00 2.06 0.00 3.16 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 21 L 7.83 4.62 0.00 1.68 1.85 0.97 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 22 G 8.67 3.69 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 0.00 0.00 0.00 23 V 8.18 3.77 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 0.70 0.00 0.00 0.77 0.00 0.00 24 K 8.81 3.94 0.00 1.76 1.75 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.56 1.51 7.81 25 R 7.21 4.20 0.00 1.64 1.81 0.00 3.17 0.00 0.00 3.13 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.65 0.00 26 Y 7.53 4.28 0.00 3.10 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 27 E 8.33 4.36 0.00 2.22 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 2.37 2.65 0.00 28 G 9.25 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 29 Q 7.77 4.31 0.00 2.18 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.94 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 30 V 8.47 4.07 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 0.79 0.00 0.00 0.95 0.00 0.00 31 V 9.28 4.64 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 0.71 0.00 0.00 1.05 0.00 0.00 32 R 8.41 4.98 0.00 1.77 1.85 0.00 3.13 0.00 0.00 3.34 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 33 A 7.93 4.13 1.25 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 34 G 9.10 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 35 N 7.70 4.38 0.00 2.71 2.83 0.00 0.00 6.65 7.37 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 36 I 8.41 4.30 1.96 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 1.35 0.81 0.93 0.00 0.00 37 L 10.00 4.38 0.00 1.60 1.63 0.85 0.58 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 38 V 7.45 4.77 1.95 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 0.99 0.00 0.00 0.61 0.00 0.00 39 R 8.94 4.70 0.00 1.87 1.89 0.00 3.31 0.00 0.00 3.25 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.71 0.00 40 Q 8.54 4.88 0.00 2.09 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 7.06 0.00 0.00 0.00 0.00 0.00 2.31 2.58 0.00 41 R 9.21 4.23 0.00 1.84 2.08 0.00 3.27 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.75 0.00 42 G 7.38 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 43 T 7.74 4.14 3.68 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 0.97 0.00 0.00 44 R 7.98 3.76 0.00 2.11 1.89 0.00 3.23 0.00 0.00 3.31 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 45 F 8.34 4.72 0.00 2.94 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 46 K 8.87 4.09 0.00 0.79 0.87 0.00 1.26 0.00 0.00 1.38 0.00 0.00 2.75 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.14 1.02 7.81 47 P 0.00 4.44 0.00 2.11 1.89 0.00 3.46 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 1.86 1.86 0.00 48 G 8.47 4.27 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 0.00 49 K 9.14 4.08 0.00 1.76 1.78 0.00 1.75 0.00 0.00 1.80 0.00 0.00 2.82 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.55 1.55 7.81 50 N 8.78 4.26 0.00 3.02 2.86 0.00 0.00 6.53 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 7.43 4.65 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 0.53 0.00 0.00 0.98 0.00 0.00 52 G 8.40 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 53 M 7.77 5.76 0.00 1.90 1.97 0.00 0.00 0.00 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.28 0.00 54 G 7.88 4.38 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 0.00 55 R 7.68 3.50 0.00 1.77 1.83 0.00 3.17 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 56 D 7.74 4.36 0.00 2.73 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 57 F 8.37 4.03 0.00 3.22 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 58 T 8.30 4.28 4.41 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 1.37 0.00 0.00 59 L 8.65 4.81 0.00 1.53 1.40 0.96 0.72 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 60 F 8.50 5.12 0.00 3.25 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 61 A 8.94 4.61 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 62 L 8.40 4.75 0.00 1.53 1.74 0.93 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 63 V 7.37 4.49 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 0.94 0.00 0.00 0.95 0.00 0.00 64 D 8.71 4.97 0.00 2.54 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 65 G 8.12 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 66 V 7.37 4.55 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 1.03 0.00 0.00 0.95 0.00 0.00 67 V 8.04 4.70 2.35 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 0.92 0.00 0.00 1.03 0.00 0.00 68 E 9.65 5.25 0.00 2.05 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 0.00 2.32 2.23 0.00 69 F 10.58 5.20 0.00 2.98 3.20 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 70 Q 8.87 4.69 0.00 2.24 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.81 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 71 D 8.86 5.15 0.00 2.77 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 9.00 4.67 0.00 2.16 1.78 0.00 3.38 0.00 0.00 3.45 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.20 0.00 73 G 8.38 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 0.00 0.00 0.00 74 R 9.02 3.86 0.00 1.81 2.06 0.00 3.37 0.00 0.00 3.22 7.36 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 8.73 4.09 0.00 1.71 1.83 0.86 -0.03 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 7.17 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 77 R 8.41 5.17 0.00 1.52 1.94 0.00 2.95 0.00 0.00 2.93 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.56 0.00 78 Y 9.43 5.70 0.00 2.71 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 79 V 7.85 4.61 1.71 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 0.60 0.00 0.00 -0.34 0.00 0.00 80 H 9.30 5.25 0.00 3.17 3.37 0.00 5.28 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.69 4.93 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 0.99 0.00 0.00 82 R 8.81 4.61 0.00 1.89 2.18 0.00 2.83 0.00 0.00 3.46 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.56 0.00 83 P 0.00 5.01 0.00 2.20 2.15 0.00 3.80 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 1.99 1.96 0.00 84 L 7.93 4.28 0.00 1.72 1.65 0.93 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 85 A 8.39 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.