NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.1217 8.1127 120.8626 56.8586 30.0130 174.5006 3 V 3.1792 8.3263 122.5128 61.5775 29.9583 171.2858 4 K 4.4213 8.2739 116.8454 56.8172 34.2370 176.3110 5 M 4.2579 7.8254 119.4595 56.2675 32.2382 174.5974 6 H 4.5830 8.6585 113.7296 55.8875 30.5305 176.8360 7 V 2.9278 6.8542 117.4794 64.1526 33.6701 176.4415 8 K 4.7848 7.4231 118.5527 54.7489 35.2043 174.6245 9 K 4.2752 7.4711 114.7945 56.9763 34.4075 177.0990 10 G 3.9595 8.4856 102.3821 44.5934 0.0000 172.2440 11 D 4.4923 7.2804 121.0171 53.3450 41.8414 175.0173 12 T 5.0252 7.5174 115.4270 64.1568 69.6960 174.6054 13 V 4.4651 8.8287 123.8720 60.9267 35.8200 172.0554 14 L 4.9622 8.9792 122.8638 53.1417 44.7858 175.1851 15 V 4.3650 8.4650 126.0199 62.0828 32.6038 175.4850 16 A 5.0037 8.9901 130.1651 50.6408 19.7426 177.1698 17 S 4.9401 8.2940 122.9071 59.2042 63.2735 174.7801 18 G 3.7988 9.0409 106.7182 44.9774 0.0000 174.1969 19 K 3.7899 9.2067 119.9564 59.0737 33.6127 176.9293 20 Y 4.5948 7.2462 110.9830 56.8117 37.7453 178.5108 21 K 4.0187 8.0311 121.0759 56.6670 30.4974 171.8821 22 G 3.7680 10.3160 115.5426 45.2649 0.0000 171.3247 23 R 4.4212 8.2364 120.2745 55.1631 34.0473 176.9339 24 V 3.6572 7.4223 111.9704 63.4123 30.3304 172.7223 25 G 4.1229 7.9058 115.7946 44.2454 0.0000 170.1791 26 K 4.0479 8.2490 119.9995 55.1558 33.1983 176.3595 27 V 4.2777 8.0325 115.4325 63.1576 31.7890 177.4382 28 K 4.0768 8.5361 122.5486 55.5700 32.8737 176.0475 29 E 3.7385 8.1753 117.5127 56.4923 27.1415 174.9921 30 V 3.6950 7.6946 115.7630 63.1784 31.7486 174.4291 31 L 4.1938 7.2478 124.6393 54.5914 42.1570 175.5514 32 P 4.8657 0.0000 0.0000 62.5260 32.2056 177.2045 33 K 3.7185 8.2794 122.2085 59.9219 31.9834 177.4355 34 K 4.2780 8.0091 114.7898 55.5865 32.6159 176.2555 35 Y 3.6268 8.4686 119.2506 58.3548 37.1792 169.3908 36 A 4.5408 6.8521 123.4458 51.4695 23.2719 174.5468 37 V 4.4026 7.6753 111.9619 60.7192 32.9093 175.5904 38 I 4.2730 8.8284 123.3202 63.4007 46.4902 177.8352 39 V 3.2666 7.1866 116.3075 63.7427 32.7213 174.1677 40 E 4.7565 8.9981 112.5090 55.9137 33.6299 175.9731 41 G 3.7759 7.0733 107.6230 45.5905 0.0000 177.5622 42 V 2.6056 8.1568 126.8346 62.8225 32.0490 172.8704 43 N 4.7671 8.5384 124.2303 51.7521 42.1538 173.4973 44 I 4.6527 8.1284 122.1658 60.0894 42.1586 174.2362 45 V 4.0386 8.0620 122.5132 61.3919 32.3985 176.5697 46 K 4.3771 8.2984 131.1596 56.1311 32.8647 176.5546 47 K 4.4793 8.5426 115.7037 56.6638 34.6291 177.0809 48 A 3.2847 8.0191 114.0626 52.6984 15.2736 176.3647 49 V 3.7676 7.8407 124.6243 63.2915 32.6927 176.8135 50 R 4.2342 8.1365 120.8346 55.7851 28.4222 178.2471 51 V 3.7712 7.4174 118.5685 63.2720 31.8516 175.8919 52 S 4.1921 9.1606 124.7698 61.9508 63.0144 175.0631 53 P 4.3673 0.0000 0.0000 64.9537 31.4079 176.5116 54 K 4.4596 8.2280 114.4241 57.5039 34.3706 175.9303 55 Y 4.5728 8.0602 118.4908 54.8171 36.8729 173.8423 56 P 4.2501 0.0000 0.0000 64.9890 31.7665 177.4380 57 Q 4.5630 8.1414 114.4720 56.8395 31.1217 174.9469 58 G 4.0311 8.5367 108.3016 46.2551 0.0000 173.7749 59 G 4.2378 6.8690 107.5149 43.8136 0.0000 173.0728 60 F 5.6385 7.9514 127.5249 58.3580 41.6162 172.9839 61 I 4.5035 8.0267 117.1060 58.6358 40.9524 172.9267 62 E 4.7011 8.1335 123.6255 54.4359 33.0355 175.4468 63 K 4.6081 8.6171 124.1663 56.9095 34.0293 176.9725 64 E 4.7416 8.7654 129.1733 55.9597 31.9071 174.5592 65 A 4.7296 9.4585 123.0788 49.6628 21.3666 174.8013 66 P 4.3657 0.0000 0.0000 64.6498 31.8865 172.7747 67 L 3.6616 7.9188 126.2219 54.0375 43.0021 173.2698 68 H 4.2559 8.5393 124.4077 56.2915 30.7487 175.7755 69 A 3.9837 8.2522 127.6916 54.3543 18.5649 178.6257 70 S 4.5892 8.3452 108.9743 58.5267 62.4718 174.0494 71 K 4.5888 7.8424 116.1947 56.3096 33.4182 175.8763 72 V 4.9583 7.4378 112.3254 59.5909 34.4633 175.4776 73 R 4.7023 8.8715 122.2791 53.6566 34.0117 174.1062 74 P 4.2455 0.0000 0.0000 64.3905 31.0817 173.8475 75 I 4.4977 7.4732 111.9239 61.6744 40.5109 173.4659 76 C 4.5288 9.2017 125.0872 60.3942 34.3590 172.5727 77 P 4.0038 0.0000 0.0000 62.3926 28.6091 173.6673 78 A 4.7854 6.4713 130.5872 52.3347 20.7307 176.1114 79 C 4.9100 8.0114 114.3188 59.3608 29.8425 174.6109 80 G 3.9806 8.2976 105.0865 45.0125 0.0000 169.4123 81 K 3.6279 7.7961 126.4166 54.2504 33.1534 173.4464 82 P 4.1919 0.0000 0.0000 62.5816 32.0534 174.7274 83 T 4.5431 8.3377 112.0199 61.0286 70.0701 174.0260 84 R 4.7128 8.3792 126.1938 54.4805 33.5562 174.1301 85 V 4.8129 8.1422 118.1993 61.1705 34.9111 174.4008 86 R 4.8535 8.3911 125.9845 54.3258 33.4801 176.4215 87 K 4.0882 8.7461 121.9949 57.5859 33.3255 178.8176 88 K 3.8764 8.5798 116.6362 55.8958 29.6091 176.8618 89 F 4.1540 8.3693 118.3679 58.5999 38.9917 174.5374 90 L 4.6324 7.5546 115.9576 57.0204 47.6807 174.9722 91 E 4.6501 8.3506 114.4566 55.4714 29.2916 177.8468 92 N 4.6484 8.6024 129.1522 54.3490 41.4908 172.3205 93 G 4.3462 8.0851 111.6024 43.6796 0.0000 172.1037 94 K 5.1792 7.8888 118.5509 54.4546 30.8763 176.2100 95 K 4.2165 7.8543 120.4134 57.5666 33.8592 178.3358 96 I 4.0310 8.0724 122.3775 61.4089 38.1567 176.6221 97 R 4.0119 7.9648 126.1783 55.8240 29.2413 175.9707 98 V 3.2245 8.2626 127.7139 61.8254 28.2965 170.5555 99 C 5.1528 8.2398 125.0701 59.4405 33.7444 172.8479 100 A 3.1726 8.8609 118.7182 54.8577 18.2586 175.0824 101 K 3.7254 8.4878 116.6026 56.9990 28.7185 175.0047 102 C 4.2449 8.5436 122.0786 63.1769 32.3838 172.9812 103 G 3.3790 9.8487 112.6692 46.2083 0.0000 179.2148 104 G 3.2643 8.1485 106.6709 41.7015 0.0000 178.8054 105 A 3.3620 8.3662 126.7181 53.2908 18.5379 178.6734 106 L 3.8474 8.8431 110.5558 55.5355 40.2244 174.0267 107 D 4.2561 7.6807 128.2309 55.8252 45.0034 176.7610 *108 T 4.1630 7.9052 114.8297 60.9672 69.1655 175.7018 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 2 R 8.11 4.12 0.00 1.83 1.93 0.00 3.45 0.00 0.00 3.34 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 3 V 8.33 3.18 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 0.80 0.00 0.00 0.93 0.00 0.00 4 K 8.27 4.42 0.00 2.04 1.94 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.53 1.44 7.81 5 M 7.83 4.26 0.00 2.04 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 2.62 2.54 0.00 6 H 8.66 4.58 0.00 3.46 3.60 0.00 5.67 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 V 6.85 2.93 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 0.83 0.00 0.00 1.00 0.00 0.00 8 K 7.42 4.78 0.00 1.66 1.72 0.00 1.65 0.00 0.00 1.75 0.00 0.00 3.24 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.38 7.81 9 K 7.47 4.28 0.00 1.79 1.70 0.00 1.58 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.42 7.81 10 G 8.49 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 11 D 7.28 4.49 0.00 2.85 2.77 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 12 T 7.52 5.03 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 1.26 0.00 0.00 13 V 8.83 4.47 2.07 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 0.69 0.00 0.00 1.01 0.00 0.00 14 L 8.98 4.96 0.00 1.71 1.66 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 15 V 8.47 4.37 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 0.99 0.00 0.00 0.94 0.00 0.00 16 A 8.99 5.00 1.23 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 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.29 4.94 0.00 4.02 3.28 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 18 G 9.04 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 0.00 0.00 0.00 19 K 9.21 3.79 0.00 2.06 1.95 0.00 1.84 0.00 0.00 1.85 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.57 7.81 20 Y 7.25 4.59 0.00 2.90 2.92 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 21 K 8.03 4.02 0.00 1.98 1.76 0.00 1.86 0.00 0.00 1.72 0.00 0.00 3.11 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.74 1.54 7.81 22 G 10.32 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 23 R 8.24 4.42 0.00 1.83 1.96 0.00 3.49 0.00 0.00 3.16 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.68 0.00 24 V 7.42 3.66 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 0.93 0.00 0.00 0.94 0.00 0.00 25 G 7.91 4.12 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 0.00 0.00 0.00 26 K 8.25 4.05 0.00 1.72 1.75 0.00 1.82 0.00 0.00 1.62 0.00 0.00 2.74 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.41 7.81 27 V 8.03 4.28 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 0.91 0.00 0.00 0.97 0.00 0.00 28 K 8.54 4.08 0.00 1.73 1.84 0.00 1.91 0.00 0.00 1.68 0.00 0.00 3.29 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.33 1.41 7.81 29 E 8.18 3.74 0.00 2.00 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 0.00 2.22 2.32 0.00 30 V 7.69 3.69 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 0.82 0.00 0.00 0.89 0.00 0.00 31 L 7.25 4.19 0.00 1.72 1.62 0.91 0.94 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 32 P 0.00 4.87 0.00 2.42 2.37 0.00 3.75 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 2.07 2.00 0.00 33 K 8.28 3.72 0.00 1.75 1.91 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.44 1.50 7.81 34 K 8.01 4.28 0.00 1.78 1.80 0.00 1.92 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.41 7.81 35 Y 8.47 3.63 0.00 2.84 2.90 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 36 A 6.85 4.54 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 37 V 7.68 4.40 2.02 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 0.62 0.00 0.00 0.96 0.00 0.00 38 I 8.83 4.27 1.87 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.93 0.96 0.00 0.00 39 V 7.19 3.27 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 0.81 0.00 0.00 0.97 0.00 0.00 40 E 9.00 4.76 0.00 1.94 1.88 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 2.20 2.24 0.00 41 G 7.07 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 42 V 8.16 2.61 1.87 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 0.88 0.00 0.00 0.74 0.00 0.00 43 N 8.54 4.77 0.00 2.63 2.65 0.00 0.00 6.90 7.45 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 44 I 8.13 4.65 1.84 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 1.11 0.56 0.89 0.00 0.00 45 V 8.06 4.04 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.00 0.00 0.80 0.00 0.00 46 K 8.30 4.38 0.00 1.77 1.75 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.44 7.81 47 K 8.54 4.48 0.00 1.76 1.95 0.00 1.73 0.00 0.00 1.78 0.00 0.00 3.19 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.54 2.08 7.81 48 A 8.02 3.28 1.06 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 49 V 7.84 3.77 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 0.82 0.00 0.00 0.90 0.00 0.00 50 R 8.14 4.23 0.00 1.97 2.08 0.00 3.13 0.00 0.00 3.16 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 51 V 7.42 3.77 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 0.97 0.00 0.00 0.90 0.00 0.00 52 S 9.16 4.19 0.00 3.91 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 53 P 0.00 4.37 0.00 2.08 2.13 0.00 3.60 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.14 0.00 54 K 8.23 4.46 0.00 1.85 2.20 0.00 1.83 0.00 0.00 1.80 0.00 0.00 3.42 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.38 1.43 7.81 55 Y 8.06 4.57 0.00 2.97 2.91 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 56 P 0.00 4.25 0.00 2.19 2.25 0.00 3.88 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.01 0.00 57 Q 8.14 4.56 0.00 2.28 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.60 0.00 0.00 0.00 0.00 0.00 2.11 2.13 0.00 58 G 8.54 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 0.00 0.00 0.00 59 G 6.87 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 0.00 0.00 0.00 0.00 60 F 7.95 5.64 0.00 3.06 3.08 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 61 I 8.03 4.50 1.88 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 1.28 1.02 0.93 0.00 0.00 62 E 8.13 4.70 0.00 2.00 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 2.18 2.26 0.00 63 K 8.62 4.61 0.00 1.75 1.43 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.41 7.81 64 E 8.77 4.74 0.00 1.76 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 2.26 2.32 0.00 65 A 9.46 4.73 1.15 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 0.00 0.00 66 P 0.00 4.37 0.00 2.00 2.12 0.00 3.81 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.04 0.00 67 L 7.92 3.66 0.00 1.78 1.56 0.88 0.81 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 68 H 8.54 4.26 0.00 3.21 3.13 0.00 5.72 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 A 8.25 3.98 0.77 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 70 S 8.35 4.59 0.00 3.97 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 71 K 7.84 4.59 0.00 1.89 1.78 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.33 1.37 7.81 72 V 7.44 4.96 2.07 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 0.65 0.00 0.00 0.94 0.00 0.00 73 R 8.87 4.70 0.00 1.68 1.78 0.00 3.17 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 74 P 0.00 4.25 0.00 2.21 2.28 0.00 3.75 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 2.25 2.00 0.00 75 I 7.47 4.50 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 1.28 1.55 0.96 0.00 0.00 76 C 9.20 4.53 0.00 2.92 2.73 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 77 P 0.00 4.00 0.00 2.16 2.38 0.00 3.81 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.08 0.00 78 A 6.47 4.79 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 79 C 8.01 4.91 0.00 3.08 2.93 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 80 G 8.30 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 81 K 7.80 3.63 0.00 1.88 1.79 0.00 1.78 0.00 0.00 1.96 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.44 7.81 82 P 0.00 4.19 0.00 2.22 2.00 0.00 3.64 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.13 0.00 83 T 8.34 4.54 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 1.22 0.00 0.00 84 R 8.38 4.71 0.00 1.88 1.84 0.00 3.04 0.00 0.00 3.10 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 85 V 8.14 4.81 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 0.91 0.00 0.00 0.94 0.00 0.00 86 R 8.39 4.85 0.00 1.88 1.72 0.00 3.15 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 87 K 8.75 4.09 0.00 2.02 2.08 0.00 1.73 0.00 0.00 1.89 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.56 7.81 88 K 8.58 3.88 0.00 2.10 2.05 0.00 1.66 0.00 0.00 1.85 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.50 7.81 89 F 8.37 4.15 0.00 3.14 3.21 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 90 L 7.55 4.63 0.00 1.65 1.61 0.94 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 91 E 8.35 4.65 0.00 1.93 1.17 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 0.00 2.21 2.21 0.00 92 N 8.60 4.65 0.00 2.74 2.72 0.00 0.00 6.55 7.98 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 93 G 8.09 4.35 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 0.00 94 K 7.89 5.18 0.00 1.75 1.85 0.00 1.21 0.00 0.00 0.77 0.00 0.00 2.76 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.28 7.81 95 K 7.85 4.22 0.00 1.74 1.80 0.00 1.67 0.00 0.00 1.85 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.60 1.50 7.81 96 I 8.07 4.03 1.76 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 1.23 0.47 0.91 0.00 0.00 97 R 7.96 4.01 0.00 1.79 1.88 0.00 3.30 0.00 0.00 3.15 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 98 V 8.26 3.22 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 0.77 0.00 0.00 0.93 0.00 0.00 99 C 8.24 5.15 0.00 2.97 2.89 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 0.00 100 A 8.86 3.17 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 K 8.49 3.73 0.00 1.90 1.85 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.40 7.81 102 C 8.54 4.24 0.00 3.14 2.96 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 0.00 103 G 9.85 3.38 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 0.00 104 G 8.15 3.26 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 0.00 105 A 8.37 3.36 1.36 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 0.00 0.00 106 L 8.84 3.85 0.00 1.83 1.86 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.00 0.00 107 D 7.68 4.26 0.00 2.62 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *108 T 7.91 4.16 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 * Residues marked with a * may have inaccurate shift predictions.