NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.4284 8.0333 117.3298 63.3868 70.2930 172.4430 3 L 4.6946 8.6001 127.2422 52.1393 42.8037 174.7802 4 I 4.8009 9.5832 117.8295 59.3307 41.5423 173.6071 5 Y 5.2647 9.3646 120.2144 56.1501 42.2238 174.5146 6 K 4.7983 8.8366 122.4118 54.8162 35.5460 174.7495 7 I 4.7496 8.3197 127.9630 59.5340 39.0475 174.7686 8 L 4.6701 8.0847 125.4931 54.2484 44.3018 175.3123 9 S 4.5327 8.6158 114.3018 57.8922 63.9278 175.3870 10 R 3.9719 8.4546 121.9150 59.6109 29.7228 178.8728 11 A 4.0149 8.0097 120.0774 55.3856 17.9372 179.3682 12 E 4.0809 8.3578 117.0881 59.2044 29.5356 179.4188 13 W 4.5119 8.3487 128.6379 60.5765 30.8242 177.9193 14 D 4.0600 8.4605 118.9031 57.1317 40.3717 178.5474 15 A 3.9760 8.1392 121.1423 54.9622 18.2780 179.5980 16 A 4.2640 8.0054 120.7021 54.8861 18.3266 180.1141 17 K 3.5842 7.3843 115.3496 59.0107 32.0574 178.9278 18 A 4.1166 7.5595 119.3945 53.6656 18.4982 178.3331 19 Q 4.4484 7.5991 113.8026 55.1950 30.6254 176.7931 20 G 3.9944 9.9832 109.1020 44.9772 0.0000 172.9992 21 R 4.8378 7.3383 113.7675 55.3120 31.9774 173.3646 22 F 4.9320 9.4607 122.3867 56.9607 40.0942 176.1809 23 E 4.0637 8.4553 127.1639 55.8482 29.9903 175.9144 24 G 3.4864 5.7346 105.2058 43.0953 0.0000 173.9224 25 S 4.7436 9.5097 115.8567 56.5079 64.3641 175.5082 26 A 3.9346 8.4240 117.9885 53.5686 18.0105 179.0040 *28 D 4.4480 8.1331 118.8981 55.7304 42.7167 178.0597 29 L 3.7782 7.9696 117.4108 57.7325 41.8456 178.7412 30 A 4.0499 7.8569 120.4418 55.2981 18.3198 178.6117 31 D 4.1777 7.5795 113.7817 55.7303 41.0319 177.6052 32 G 3.9631 9.4503 106.8959 44.4904 0.0000 172.5101 33 F 4.5302 6.4628 112.3998 55.7084 41.1409 172.8260 34 I 4.2840 8.2960 121.4877 60.6156 38.3361 175.0225 35 H 4.8683 9.7742 126.0731 55.7052 29.0106 174.8980 36 L 5.1769 8.6174 122.0989 53.0314 45.7139 175.9566 37 S 4.9187 9.0801 114.8086 56.7700 67.2403 174.5677 38 A 4.6797 9.3775 126.8600 51.4461 18.9311 178.8134 39 G 3.7927 9.1737 108.6585 49.0200 0.0000 175.3285 40 E 4.1882 8.1945 117.6239 57.1904 30.1285 177.1372 41 Q 4.5413 8.0533 116.1453 56.8389 30.0718 177.2603 42 A 4.0506 7.5401 121.4042 55.4011 18.3064 179.3488 43 Q 3.8932 8.0201 117.3585 59.3930 29.1730 177.9981 44 E 3.9652 8.2019 119.8553 59.4577 29.7542 178.7549 45 T 4.1631 8.0803 115.7199 66.5680 68.6648 176.5310 46 A 4.3661 8.4787 122.6433 55.3242 18.2419 179.6003 47 A 4.0138 8.1366 118.3681 54.8872 18.4481 179.6477 48 K 3.7867 8.0110 117.4500 59.0242 32.4970 178.4483 49 W 4.6697 7.9865 115.5203 56.4295 30.1241 176.7420 50 F 4.9653 7.8880 117.0428 56.8866 39.3848 175.0220 51 R 4.2913 8.1419 120.0156 57.9101 30.0938 177.5777 52 G 3.9490 9.3643 110.5980 45.7601 0.0000 173.5592 53 Q 4.1650 7.8530 118.9976 55.2562 28.9454 175.8196 54 A 4.3872 8.4329 126.0545 52.3616 20.0441 175.8307 55 N 4.3180 8.6839 114.0770 54.2994 36.1043 174.7359 56 L 4.6245 7.6630 117.4510 54.6146 43.4685 176.2718 57 V 4.7537 8.6778 120.5547 59.8073 34.8828 173.9613 58 L 4.8910 8.7597 125.8065 53.3271 44.3505 174.6967 59 L 4.8962 8.7005 126.2141 52.7792 44.3823 175.0291 60 A 4.7100 8.8027 126.0343 50.0826 21.3964 175.7029 61 V 4.4669 8.3333 122.3574 60.7084 35.1689 174.0990 62 E 4.3115 8.8029 128.7151 56.0411 29.4136 176.1650 63 A 4.1836 9.1839 130.5628 55.1615 18.7307 178.3283 64 E 4.0923 8.6667 114.5387 59.1800 29.7348 176.7869 65 P 4.4079 0.0000 0.0000 61.1234 30.2288 174.7194 *67 G 3.8301 7.6124 114.6406 45.7321 0.0000 170.4729 68 E 4.0084 8.8358 115.9260 59.4704 29.4387 177.8853 69 D 4.4249 8.1262 117.6155 55.3784 41.2181 174.8913 70 L 4.9174 7.8055 122.4341 53.8393 42.6382 175.6116 71 K 4.7140 9.1165 126.9053 54.3556 35.1938 175.5782 72 W 4.9774 8.9728 124.5460 55.6154 30.1714 175.3761 73 E 4.8168 8.8675 124.9824 53.8536 32.0637 175.5577 74 A 4.6517 8.8515 126.2981 51.8209 19.2725 175.3862 75 S 4.6510 9.9964 118.6126 57.5781 62.3473 176.8736 76 R 3.9772 8.8914 120.0360 57.7959 29.5713 175.6749 77 G 3.7985 9.8397 112.3063 46.4253 0.0000 174.3671 78 G 3.9487 8.5355 106.4737 44.9356 0.0000 174.4135 79 A 4.4264 8.0349 121.9820 51.6816 20.1090 176.9144 80 R 4.8344 8.6069 119.3838 55.6443 31.2367 176.0101 81 F 4.8448 9.4891 123.9108 54.9715 42.0270 173.4097 82 P 3.8017 0.0000 0.0000 62.5529 32.4680 174.5112 83 H 5.3026 9.0460 122.6768 53.6670 31.6482 172.7937 84 L 4.9266 8.5701 126.2606 53.2917 43.3744 175.8967 85 Y 4.7472 9.0992 128.2944 57.6737 37.5427 175.5212 86 R 4.4662 7.5622 112.7157 54.5997 31.9933 172.3149 87 P 4.4717 0.0000 0.0000 62.5592 32.4756 175.8758 88 L 4.5013 8.9764 125.3083 53.9398 43.3252 176.0945 89 L 4.4558 9.2210 127.4231 54.6496 42.3678 178.8802 90 V 3.9108 8.6933 122.6953 65.9679 31.7139 178.4724 91 S 4.2847 8.0385 113.0665 60.5695 63.0829 174.6373 92 E 4.1656 7.8938 119.2366 57.0306 29.5808 176.5628 93 V 3.9939 7.4428 120.6000 62.2499 31.6883 175.7252 94 T 4.2698 8.7080 119.6842 64.7128 69.4171 174.9757 95 R 4.6906 7.4472 115.4034 55.1039 32.3533 173.4760 96 E 5.5681 8.6771 117.2726 53.8906 33.3874 174.3553 97 A 4.4654 7.7757 117.6503 51.1284 22.4254 175.0449 98 D 4.9674 8.6772 121.2979 53.6857 41.9079 176.2233 99 L 4.5790 8.4382 123.4392 53.9155 43.2710 175.8164 100 D 5.1057 8.5725 120.6483 52.6687 44.4115 175.2899 101 L 5.0661 8.2486 119.9177 53.1310 44.2934 177.0841 102 D 4.6601 8.6638 121.2814 53.6635 42.2626 176.9833 103 A 4.1045 8.4517 121.4170 55.1455 18.4882 178.1622 104 D 4.5889 8.1222 113.8045 54.0975 41.2415 177.3427 105 G 3.8915 8.1122 108.0381 45.4589 0.0000 173.2714 106 V 4.2060 7.3898 120.1441 60.7468 32.3643 173.6593 107 P 4.6820 0.0000 0.0000 62.9169 31.7694 175.6497 108 Q 4.4490 8.7871 122.2309 55.0110 29.3784 176.2140 109 L 4.6688 8.3028 122.4308 55.0647 43.0882 178.4298 110 G 3.8790 7.9973 105.1962 48.5269 0.0000 175.1414 111 D 4.3504 7.8301 121.3622 57.0302 41.1863 178.4755 112 H 4.4042 7.9173 116.1096 58.6694 28.5787 177.6471 113 L 3.9446 8.1172 120.3083 57.2404 41.5334 178.7678 114 A 4.1670 7.7239 119.2253 53.8280 18.3579 177.3169 115 L 4.1573 7.5165 122.2926 54.9499 41.7744 176.7622 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 T 8.03 4.43 4.32 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 0.00 0.00 0.00 1.33 0.00 0.00 3 L 8.60 4.69 0.00 1.54 1.11 0.92 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 4 I 9.58 4.80 1.80 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.13 0.97 0.00 0.00 5 Y 9.36 5.26 0.00 2.88 2.82 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 6 K 8.84 4.80 0.00 1.83 1.46 0.00 1.58 0.00 0.00 1.83 0.00 0.00 3.43 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.29 7.81 7 I 8.32 4.75 1.15 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.61 -0.24 0.00 0.00 8 L 8.08 4.67 0.00 1.55 1.44 0.20 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 9 S 8.62 4.53 0.00 4.09 4.11 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 0.00 0.00 0.00 0.00 10 R 8.45 3.97 0.00 2.06 2.03 0.00 3.40 0.00 0.00 3.28 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.74 0.00 11 A 8.01 4.01 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 12 E 8.36 4.08 0.00 2.26 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 2.47 2.41 0.00 13 W 8.35 4.51 0.00 3.18 3.16 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 14 D 8.46 4.06 0.00 2.83 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.14 3.98 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.01 4.26 1.61 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 0.00 0.00 17 K 7.38 3.58 0.00 1.47 1.54 0.00 1.30 0.00 0.00 0.90 0.00 0.00 2.38 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.36 0.21 7.81 18 A 7.56 4.12 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.60 4.45 0.00 2.39 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.38 0.00 0.00 0.00 0.00 0.00 2.47 2.48 0.00 20 G 9.98 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 21 R 7.34 4.84 0.00 2.15 2.03 0.00 3.12 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.55 0.00 22 F 9.46 4.93 0.00 3.21 3.14 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 23 E 8.46 4.06 0.00 1.82 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 0.00 2.21 2.24 0.00 24 G 5.73 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 25 S 9.51 4.74 0.00 4.04 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 0.00 26 A 8.42 3.93 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 *28 D 8.13 4.45 0.00 2.67 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 29 L 7.97 3.78 0.00 1.64 1.63 0.87 0.64 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 30 A 7.86 4.05 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 31 D 7.58 4.18 0.00 1.83 1.94 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 32 G 9.45 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 33 F 6.46 4.53 0.00 2.34 1.68 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 34 I 8.30 4.28 1.87 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.56 1.03 0.00 0.00 35 H 9.77 4.87 0.00 2.93 3.26 0.00 5.79 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.62 5.18 0.00 1.69 1.60 0.91 0.66 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 37 S 9.08 4.92 0.00 3.88 3.88 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 0.00 0.00 0.00 38 A 9.38 4.68 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 39 G 9.17 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 40 E 8.19 4.19 0.00 1.93 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 2.29 2.39 0.00 41 Q 8.05 4.54 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.53 0.00 0.00 0.00 0.00 0.00 2.05 2.18 0.00 42 A 7.54 4.05 1.22 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 0.00 0.00 43 Q 8.02 3.89 0.00 2.15 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.85 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 44 E 8.20 3.97 0.00 2.12 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 0.00 2.41 2.40 0.00 45 T 8.08 4.16 4.68 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 1.70 0.00 0.00 46 A 8.48 4.37 1.44 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 47 A 8.14 4.01 1.35 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 48 K 8.01 3.79 0.00 1.53 1.49 0.00 1.17 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.30 0.82 7.81 49 W 7.99 4.67 0.00 3.16 2.27 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 50 F 7.89 4.97 0.00 3.30 3.04 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 51 R 8.14 4.29 0.00 1.81 1.91 0.00 3.28 0.00 0.00 3.32 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 52 G 9.36 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 53 Q 7.85 4.16 0.00 2.40 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.82 0.00 0.00 0.00 0.00 0.00 2.48 2.40 0.00 54 A 8.43 4.39 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 55 N 8.68 4.32 0.00 2.96 2.95 0.00 0.00 6.87 6.74 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 56 L 7.66 4.62 0.00 1.51 1.39 0.86 0.77 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 57 V 8.68 4.75 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 0.58 0.00 0.00 0.50 0.00 0.00 58 L 8.76 4.89 0.00 1.49 1.38 1.11 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 59 L 8.70 4.90 0.00 1.30 1.16 0.19 -1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 60 A 8.80 4.71 1.07 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 0.00 0.00 0.00 0.00 0.00 0.00 61 V 8.33 4.47 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 0.92 0.00 0.00 0.84 0.00 0.00 62 E 8.80 4.31 0.00 1.98 1.85 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 2.29 2.39 0.00 63 A 9.18 4.18 1.55 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 64 E 8.67 4.09 0.00 1.99 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 0.00 2.35 2.49 0.00 65 P 0.00 4.41 0.00 2.19 2.10 0.00 3.89 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 *67 G 7.61 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 68 E 8.84 4.01 0.00 2.08 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 0.00 2.30 2.36 0.00 69 D 8.13 4.42 0.00 2.79 2.85 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 70 L 7.81 4.92 0.00 1.69 1.79 0.75 0.36 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 71 K 9.12 4.71 0.00 1.74 1.65 0.00 0.88 0.00 0.00 1.34 0.00 0.00 2.55 0.00 0.00 2.41 0.00 0.00 0.00 0.00 1.27 1.32 7.81 72 W 8.97 4.98 0.00 3.16 3.24 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 73 E 8.87 4.82 0.00 1.76 1.83 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 2.21 2.19 0.00 74 A 8.85 4.65 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 75 S 10.00 4.65 0.00 3.82 2.72 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 0.00 0.00 0.00 76 R 8.89 3.98 0.00 1.59 1.88 0.00 3.32 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.65 0.00 77 G 9.84 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 78 G 8.54 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 79 A 8.03 4.43 1.41 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 0.00 0.00 0.00 80 R 8.61 4.83 0.00 1.88 2.24 0.00 3.21 0.00 0.00 3.35 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.75 0.00 81 F 9.49 4.84 0.00 2.95 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 82 P 0.00 3.80 0.00 1.48 0.49 0.00 3.63 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.64 0.00 83 H 9.05 5.30 0.00 2.93 2.46 0.00 5.60 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 L 8.57 4.93 0.00 1.77 1.55 1.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 85 Y 9.10 4.75 0.00 2.92 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 86 R 7.56 4.47 0.00 1.88 1.91 0.00 3.07 0.00 0.00 3.54 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.62 0.00 87 P 0.00 4.47 0.00 1.97 2.00 0.00 3.67 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 2.01 2.04 0.00 88 L 8.98 4.50 0.00 1.87 1.82 1.03 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 89 L 9.22 4.46 0.00 1.86 1.62 1.03 0.97 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 90 V 8.69 3.91 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 0.95 0.00 0.00 0.83 0.00 0.00 91 S 8.04 4.28 0.00 4.05 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 92 E 7.89 4.17 0.00 2.19 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 0.00 2.36 2.28 0.00 93 V 7.44 3.99 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 0.67 0.00 0.00 0.96 0.00 0.00 94 T 8.71 4.27 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 1.21 0.00 0.00 95 R 7.45 4.69 0.00 1.85 2.01 0.00 2.92 0.00 0.00 3.41 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 96 E 8.68 5.57 0.00 1.70 1.69 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 2.20 2.13 0.00 97 A 7.78 4.47 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 D 8.68 4.97 0.00 2.56 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 99 L 8.44 4.58 0.00 1.47 1.54 0.78 0.86 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 0.00 100 D 8.57 5.11 0.00 2.57 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.25 5.07 0.00 1.61 1.58 0.98 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 102 D 8.66 4.66 0.00 2.66 2.63 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 0.00 103 A 8.45 4.10 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 0.00 104 D 8.12 4.59 0.00 2.68 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 0.00 105 G 8.11 3.89 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 0.00 0.00 0.00 106 V 7.39 4.21 2.30 0.00 0.00 0.00 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 0.94 0.00 0.00 107 P 0.00 4.68 0.00 2.09 1.95 0.00 3.79 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.17 0.00 108 Q 8.79 4.45 0.00 2.01 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.75 0.00 0.00 0.00 0.00 0.00 2.41 2.28 0.00 109 L 8.30 4.67 0.00 1.58 1.54 0.83 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 110 G 8.00 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 111 D 7.83 4.35 0.00 2.47 2.63 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 0.00 112 H 7.92 4.40 0.00 3.30 3.35 0.00 5.81 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 L 8.12 3.94 0.00 1.63 1.62 0.83 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 114 A 7.72 4.17 1.35 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 0.00 115 L 7.52 4.16 0.00 1.76 1.63 0.97 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.