NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *0 H 4.6129 8.4444 117.3761 54.2673 29.9338 172.8988 *3 D 4.1902 7.9431 119.4851 54.8338 42.1443 174.4469 4 F 4.8370 8.2413 122.4036 57.3252 39.9960 177.0429 5 D 4.2835 8.8201 123.9111 56.9142 40.6613 178.3719 6 F 4.3739 8.1566 112.8110 58.6802 38.0935 176.2144 7 L 3.5769 7.2572 122.0690 56.6588 41.6434 177.0104 8 E 3.9590 7.5283 119.2208 57.7130 29.5343 177.5269 9 G 3.8965 8.6389 112.4363 44.8857 0.0000 173.5981 10 K 4.2893 7.7690 121.0709 56.2866 32.8516 176.4456 11 R 5.2886 8.5205 120.3687 54.6313 33.1517 174.3902 12 L 4.6875 9.0634 121.3862 54.2804 45.9612 174.2461 13 T 5.2377 8.6563 122.2001 61.8732 71.4463 173.2463 14 E 4.7934 9.0687 124.4238 54.4986 33.8566 174.7004 15 D 5.0325 8.7759 123.6345 54.2078 41.9069 175.9108 16 V 4.4995 9.1400 122.7922 60.9142 34.9578 174.0072 17 A 4.6846 8.6267 129.3834 51.3510 19.7905 176.8727 18 L 4.4042 9.1337 124.3473 53.7768 42.3829 176.7391 19 D 5.0717 8.3846 124.0403 51.6800 41.2574 176.5551 20 E 4.1534 8.4943 117.9095 58.7135 29.8740 178.4810 21 T 4.1413 7.6910 111.4300 61.0259 67.9254 174.9073 *23 V 4.0421 7.4220 119.3794 61.9212 32.8138 175.0015 24 W 4.5019 9.4579 133.6443 57.7217 29.6198 175.4048 25 N 4.7594 8.5562 120.9333 52.2249 37.9186 175.8548 26 E 3.8872 7.8352 120.0918 58.7962 29.6191 176.0992 27 D 4.5516 6.0500 115.2746 52.0338 41.7416 175.2436 28 I 3.6912 8.2994 128.4496 64.7078 37.2662 177.0349 29 E 4.2099 8.0645 118.6523 56.7119 29.6028 177.9593 *31 L 4.3211 8.0274 120.3933 54.7926 43.7394 179.3403 32 D 4.4926 8.0059 116.3907 55.7742 39.5578 177.4920 33 L 3.8383 8.1364 119.2196 56.5079 42.5281 176.8202 34 H 4.1343 8.1111 114.9698 55.9989 27.9236 174.3968 35 L 4.7288 7.5178 121.6733 55.5223 43.3200 178.6744 36 V 4.2326 8.5522 122.9445 61.3994 32.4557 175.9873 37 A 4.1923 8.6678 125.5695 52.1774 19.4421 178.2837 38 T 3.7613 8.8417 118.7035 67.0334 68.6382 177.2440 39 S 4.0820 8.0779 115.0946 61.1707 63.0250 176.1961 40 A 3.9376 7.8076 123.9558 55.0968 18.2540 179.4747 41 L 3.9041 7.9064 117.5162 57.7276 41.5384 179.7246 42 I 3.5499 7.8432 120.0369 64.2286 37.0326 178.4342 43 G 3.5684 7.8492 106.4179 47.8564 0.0000 175.6082 44 V 3.5333 7.7050 120.7196 65.7424 31.3906 178.3492 45 V 3.5283 7.7041 117.7776 66.2031 31.3780 177.4724 46 H 3.7099 7.9053 116.1687 58.8861 28.4543 177.6329 47 R 3.8931 8.0134 120.2564 59.4703 29.9122 178.6447 48 V 3.6220 7.6692 117.8130 66.0108 31.3818 178.1353 49 S 4.0235 7.9081 113.9226 61.3809 62.6291 175.8267 50 Y 3.8382 8.0144 123.1365 60.3638 38.3472 177.4346 51 E 3.9743 8.2591 118.9784 59.4064 29.4619 178.3741 52 L 4.1849 8.0850 119.9152 58.3324 42.2737 178.8958 53 L 4.1587 8.2782 119.5132 57.8588 41.3327 179.7109 54 S 4.0381 7.9679 113.3622 61.0913 62.8228 176.4906 55 R 3.8333 7.3956 120.8003 58.7188 29.8157 177.0090 56 Y 4.6821 7.5269 113.0637 58.1450 39.3943 176.0544 57 L 4.4262 7.7966 119.7494 53.4536 42.6667 175.1130 58 P 4.5546 0.0000 0.0000 62.9429 31.9522 178.1468 59 N 4.5882 8.7905 116.9168 54.5272 37.7503 176.2942 60 D 4.8623 8.2954 114.5062 53.9796 40.2802 175.4334 61 Y 4.9913 7.9134 117.6471 57.0553 40.3106 174.6494 62 T 4.8902 9.2005 116.0714 61.5998 71.5262 171.7070 63 A 5.1296 8.6519 121.2905 51.2878 22.0108 176.5466 64 V 4.5781 8.6883 115.6619 59.3235 35.8413 175.1586 65 V 4.4070 8.3372 123.0158 62.8755 31.7186 175.9819 66 V 4.4835 8.8398 119.4997 61.4596 34.4076 175.6051 67 E 4.7890 7.9788 120.4539 55.2514 33.0047 173.6571 68 T 5.2585 8.4374 120.1658 60.6695 70.9267 172.3524 69 L 4.9797 9.4003 129.3229 53.4024 45.6390 174.8802 70 A 5.2276 8.6002 125.8938 50.5582 22.7696 175.1733 71 R 4.4842 9.2121 120.2463 54.7007 33.0123 174.7148 72 H 5.0546 8.9288 124.5684 55.1011 29.6298 174.1132 73 V 4.1979 8.7599 119.0596 61.6264 32.6337 176.5804 74 K 4.4569 7.7691 120.1637 54.4175 35.1403 175.1896 75 A 4.1941 8.3881 129.0243 52.1429 19.2315 177.0357 76 V 4.6873 7.9394 120.0429 59.5444 34.6870 172.7641 77 P 5.2203 0.0000 0.0000 62.1005 33.3298 175.4279 78 T 4.3061 8.7746 112.0273 62.7361 69.4517 175.0286 79 G 3.9380 9.7533 112.1828 45.6435 0.0000 173.6378 80 T 4.5001 7.2512 116.3164 62.4112 70.5785 173.5977 81 R 5.0317 8.4362 124.3942 54.9495 32.0288 175.6741 82 V 4.6188 8.8297 118.2666 59.4906 36.2510 174.3940 83 A 4.8757 8.6180 125.5113 50.9034 20.0051 176.6273 84 V 4.4396 8.9597 124.0343 61.4362 33.8453 174.7015 85 G 4.5476 9.2112 115.6395 44.5469 0.0000 172.1731 86 V 5.3729 8.9750 116.2812 59.5484 36.3862 174.6960 87 R 5.0098 8.9247 123.1755 54.7080 34.0351 174.0523 88 V 3.5811 8.9018 127.3324 62.9138 32.0484 176.3810 89 V 4.1946 8.1708 121.2206 60.6851 32.7271 176.0580 90 G 3.9833 6.9638 106.8115 45.8173 0.0000 172.6362 91 V 4.8898 8.7859 120.9632 60.8978 34.7061 175.0014 92 V 4.2938 8.5842 127.1700 61.7491 34.6038 175.2347 93 G 3.9248 8.3653 117.8625 47.2986 0.0000 173.2084 94 N 4.8245 8.8870 122.6815 52.3750 37.5146 173.6042 95 R 4.9078 8.2324 119.8635 55.2501 32.0017 175.3198 96 V 4.4108 8.8588 125.1838 60.8940 33.8064 174.0477 97 K 4.7632 8.8264 130.2492 55.0969 33.9109 175.1487 98 F 5.1260 8.9398 125.6912 55.6024 42.6349 174.3650 99 R 5.1639 8.8086 120.2513 54.5620 33.1489 175.3621 100 G 4.7662 9.2933 109.0235 44.9069 0.0000 171.1088 101 I 5.1277 8.7257 119.9425 59.4860 42.1465 174.0358 102 V 4.5777 8.7404 128.2934 61.0190 35.4773 174.4473 *104 S 4.4717 8.4659 115.6268 58.4881 63.2203 175.1837 105 G 3.8295 8.4075 120.5479 47.0396 0.0000 172.5652 106 D 4.7427 9.2557 124.7005 54.1841 41.4358 175.8596 107 E 4.3862 7.8937 116.9823 54.2020 30.4937 180.7837 108 K 4.3048 8.5918 126.1317 55.7366 33.1712 175.8848 109 I 4.2752 9.1026 127.5648 62.9150 38.6756 175.4461 110 L 5.2395 7.6211 122.3321 53.4256 45.8396 174.0443 111 E 5.3634 9.0561 121.3532 54.9041 33.3697 174.2712 112 A 5.2228 8.6526 120.9005 51.0302 23.4779 174.9243 113 E 5.2123 9.6073 121.1701 54.6295 33.3089 174.3584 114 F 5.4709 8.8512 120.5164 55.7897 42.2523 173.0544 115 V 4.9652 9.4565 119.6128 61.3200 34.3504 174.3368 116 R 5.2525 9.1789 126.4247 54.5282 33.1505 174.7605 117 A 5.1106 8.8335 125.0298 50.4450 21.1254 176.0279 118 I 4.5321 8.5669 125.1018 60.8485 38.0076 175.9516 119 V 4.6198 9.0524 126.3857 60.4307 35.7123 172.6713 120 P 4.2726 0.0000 0.0000 62.3767 32.2038 177.3796 121 R 4.0015 9.0840 125.1561 60.4324 30.1349 179.8624 122 E 4.0051 8.1595 117.1879 61.1042 29.5036 180.7903 123 K 4.1698 7.8230 119.4175 59.3539 32.1829 178.7837 124 L 3.9830 7.7138 120.2376 57.8096 42.0861 178.9946 125 R 3.9080 8.0708 118.3427 59.1427 29.7887 179.1453 126 R 3.9110 7.6440 116.4299 59.2148 30.4026 178.6472 127 L 4.0904 8.1442 118.6754 58.0249 41.4798 179.3590 128 A 4.0146 7.9556 119.2738 55.2618 18.4406 179.0128 129 L 4.2960 7.9802 116.8607 56.4716 42.0460 178.2062 130 E 4.3125 8.0111 123.6407 58.2911 29.8879 181.7409 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 *0 H 8.44 4.61 0.00 2.95 3.01 0.00 7.20 0.00 0.00 0.00 0.00 8.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *3 D 7.94 4.19 0.00 2.56 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 4 F 8.24 4.84 0.00 3.03 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 D 8.82 4.28 0.00 2.79 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 6 F 8.16 4.37 0.00 3.05 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 7 L 7.26 3.58 0.00 1.38 1.36 0.62 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 8 E 7.53 3.96 0.00 2.04 1.80 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 2.23 2.10 0.00 9 G 8.64 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 10 K 7.77 4.29 0.00 1.62 1.69 0.00 1.28 0.00 0.00 1.56 0.00 0.00 2.24 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.30 0.99 7.81 11 R 8.52 5.29 0.00 1.88 1.87 0.00 3.05 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 12 L 9.06 4.69 0.00 1.82 1.58 0.97 0.90 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 13 T 8.66 5.24 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 1.27 0.00 0.00 14 E 9.07 4.79 0.00 1.88 1.79 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 2.23 2.28 0.00 15 D 8.78 5.03 0.00 2.55 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 16 V 9.14 4.50 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 1.04 0.00 0.00 0.93 0.00 0.00 17 A 8.63 4.68 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 18 L 9.13 4.40 0.00 1.58 1.65 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 19 D 8.38 5.07 0.00 2.75 2.69 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 20 E 8.49 4.15 0.00 1.97 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 2.29 2.21 0.00 21 T 7.69 4.14 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 1.23 0.00 0.00 *23 V 7.42 4.04 2.13 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 0.77 0.00 0.00 1.09 0.00 0.00 24 W 9.46 4.50 0.00 3.16 3.34 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 25 N 8.56 4.76 0.00 2.81 2.86 0.00 0.00 6.23 7.66 0.00 0.00 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 E 7.84 3.89 0.00 1.98 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 0.00 2.40 2.46 0.00 27 D 6.05 4.55 0.00 2.30 1.66 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.30 3.69 1.79 0.00 0.00 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 1.36 0.45 0.85 0.00 0.00 29 E 8.06 4.21 0.00 1.91 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 2.30 2.34 0.00 *31 L 8.03 4.32 0.00 1.67 1.71 0.85 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.01 4.49 0.00 2.79 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.14 3.84 0.00 1.73 1.80 1.01 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 34 H 8.11 4.13 0.00 3.49 3.70 0.00 5.46 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 L 7.52 4.73 0.00 1.92 1.68 0.96 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 36 V 8.55 4.23 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 0.72 0.00 0.00 0.94 0.00 0.00 37 A 8.67 4.19 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 38 T 8.84 3.76 4.22 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 1.18 0.00 0.00 39 S 8.08 4.08 0.00 4.03 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 40 A 7.81 3.94 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 41 L 7.91 3.90 0.00 1.76 1.61 0.72 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.84 3.55 1.87 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.70 0.57 0.00 0.00 43 G 7.85 3.57 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 0.00 0.00 0.00 44 V 7.70 3.53 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 0.95 0.00 0.00 0.89 0.00 0.00 45 V 7.70 3.53 1.96 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 0.91 0.00 0.00 0.91 0.00 0.00 46 H 7.91 3.71 0.00 3.19 3.16 0.00 5.69 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 R 8.01 3.89 0.00 1.95 2.05 0.00 3.09 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 48 V 7.67 3.62 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 1.04 0.00 0.00 0.94 0.00 0.00 49 S 7.91 4.02 0.00 2.72 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 50 Y 8.01 3.84 0.00 3.03 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 51 E 8.26 3.97 0.00 2.05 2.23 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 2.61 2.42 0.00 52 L 8.09 4.18 0.00 1.88 1.98 1.16 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.28 4.16 0.00 1.67 1.58 0.98 0.91 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 54 S 7.97 4.04 0.00 3.92 3.73 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 55 R 7.40 3.83 0.00 1.22 1.31 0.00 3.04 0.00 0.00 3.03 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.73 0.00 56 Y 7.53 4.68 0.00 3.15 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 57 L 7.80 4.43 0.00 1.68 1.67 0.90 0.73 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 58 P 0.00 4.55 0.00 2.68 2.07 0.00 3.45 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 1.78 2.04 0.00 59 N 8.79 4.59 0.00 2.74 2.74 0.00 0.00 6.62 8.06 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 60 D 8.30 4.86 0.00 2.79 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 61 Y 7.91 4.99 0.00 3.13 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 62 T 9.20 4.89 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 1.36 0.00 0.00 63 A 8.65 5.13 1.21 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 0.00 0.00 64 V 8.69 4.58 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 0.77 0.00 0.00 1.02 0.00 0.00 65 V 8.34 4.41 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 0.72 0.00 0.00 0.67 0.00 0.00 66 V 8.84 4.48 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 0.74 0.00 0.00 1.00 0.00 0.00 67 E 7.98 4.79 0.00 2.04 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 2.34 2.35 0.00 68 T 8.44 5.26 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 1.25 0.00 0.00 69 L 9.40 4.98 0.00 1.78 1.70 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 70 A 8.60 5.23 1.16 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 71 R 9.21 4.48 0.00 1.71 1.83 0.00 3.10 0.00 0.00 3.26 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 72 H 8.93 5.05 0.00 3.07 3.13 0.00 5.73 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 V 8.76 4.20 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 0.68 0.00 0.00 1.01 0.00 0.00 74 K 7.77 4.46 0.00 1.80 1.62 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.42 7.81 75 A 8.39 4.19 1.18 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 76 V 7.94 4.69 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 0.85 0.00 0.00 0.94 0.00 0.00 77 P 0.00 5.22 0.00 2.20 2.21 0.00 3.71 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.97 0.00 78 T 8.77 4.31 4.39 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 1.36 0.00 0.00 79 G 9.75 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 0.00 0.00 0.00 80 T 7.25 4.50 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 1.22 0.00 0.00 81 R 8.44 5.03 0.00 1.81 1.81 0.00 3.18 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 82 V 8.83 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 0.65 0.00 0.00 0.99 0.00 0.00 83 A 8.62 4.88 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 84 V 8.96 4.44 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 1.02 0.00 0.00 0.93 0.00 0.00 85 G 9.21 4.55 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 0.00 0.00 0.00 86 V 8.98 5.37 2.32 0.00 0.00 0.00 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 1.05 0.00 0.00 87 R 8.92 5.01 0.00 1.87 1.71 0.00 3.06 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.54 0.00 88 V 8.90 3.58 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 0.52 0.00 0.00 0.36 0.00 0.00 89 V 8.17 4.19 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 0.69 0.00 0.00 0.86 0.00 0.00 90 G 6.96 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 91 V 8.79 4.89 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 0.88 0.00 0.00 0.72 0.00 0.00 92 V 8.58 4.29 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 1.01 0.00 0.00 0.90 0.00 0.00 93 G 8.37 3.92 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 0.00 0.00 0.00 94 N 8.89 4.82 0.00 3.06 3.23 0.00 0.00 5.89 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 R 8.23 4.91 0.00 1.83 1.88 0.00 3.26 0.00 0.00 3.10 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 96 V 8.86 4.41 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 0.28 0.00 0.00 0.72 0.00 0.00 97 K 8.83 4.76 0.00 1.71 1.57 0.00 1.58 0.00 0.00 1.57 0.00 0.00 2.79 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.25 1.33 7.81 98 F 8.94 5.13 0.00 1.51 2.25 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 99 R 8.81 5.16 0.00 1.72 1.81 0.00 3.03 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.49 0.00 100 G 9.29 4.77 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 0.00 101 I 8.73 5.13 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.72 0.94 0.00 0.00 102 V 8.74 4.58 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 0.76 0.00 0.00 0.90 0.00 0.00 *104 S 8.47 4.47 0.00 3.92 3.82 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 0.00 0.00 0.00 0.00 105 G 8.41 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 0.00 106 D 9.26 4.74 0.00 2.66 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 0.00 107 E 7.89 4.39 0.00 2.01 1.74 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 2.22 2.11 0.00 108 K 8.59 4.30 0.00 1.71 1.75 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.47 7.81 109 I 9.10 4.28 1.97 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 1.12 0.78 0.98 0.00 0.00 110 L 7.62 5.24 0.00 1.53 1.36 0.75 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 111 E 9.06 5.36 0.00 2.07 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 2.25 0.00 112 A 8.65 5.22 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 0.00 113 E 9.61 5.21 0.00 2.02 1.80 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 2.21 2.23 0.00 114 F 8.85 5.47 0.00 3.26 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 0.00 115 V 9.46 4.97 2.14 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 1.08 0.00 0.00 0.95 0.00 0.00 116 R 9.18 5.25 0.00 2.04 1.90 0.00 3.24 0.00 0.00 3.27 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 117 A 8.83 5.11 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 0.00 118 I 8.57 4.53 1.36 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.31 0.62 0.00 0.00 119 V 9.05 4.62 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 0.95 0.00 0.00 0.97 0.00 0.00 120 P 0.00 4.27 0.00 2.05 1.60 0.00 3.61 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 1.96 1.60 0.00 121 R 9.08 4.00 0.00 1.82 2.01 0.00 3.18 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.85 0.00 122 E 8.16 4.01 0.00 1.97 1.97 0.00 0.00 0.00 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 1.95 0.00 123 K 7.82 4.17 0.00 1.86 2.00 0.00 1.48 0.00 0.00 1.57 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.48 7.81 124 L 7.71 3.98 0.00 1.80 1.74 0.93 1.02 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 0.00 125 R 8.07 3.91 0.00 2.06 1.95 0.00 3.18 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 126 R 7.64 3.91 0.00 1.95 1.99 0.00 3.18 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 127 L 8.14 4.09 0.00 1.83 1.73 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 128 A 7.96 4.01 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 0.00 129 L 7.98 4.30 0.00 1.67 1.72 0.95 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 130 E 8.01 4.31 0.00 2.08 1.72 0.00 0.00 0.00 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 2.19 0.00 * Residues marked with a * may have inaccurate shift predictions.