NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9558 8.3544 109.7331 45.0164 0.0000 172.9918 2 L 4.3158 7.4939 122.1744 53.9979 49.4461 170.5029 3 E 4.9228 8.9258 120.0147 54.8844 31.3268 176.0754 4 C 4.6593 8.5655 124.7181 56.4597 41.1590 173.3077 5 D 4.5492 8.4108 122.1196 53.9860 40.0645 176.9360 *8 V 3.9831 7.6023 116.8010 61.2473 32.7189 178.3270 9 N 4.5918 7.6505 130.0281 52.2437 41.4795 173.5233 10 I 4.1363 8.6426 118.1084 61.4839 38.1981 176.3945 11 C 4.0706 8.2961 125.3776 54.5298 42.5421 170.6019 12 C 4.9363 9.3878 120.8081 54.4570 43.1420 172.4902 13 K 4.6978 8.9659 121.4963 55.0770 33.3216 174.8573 14 K 4.4106 8.6231 130.2280 54.3184 33.6750 175.2297 15 Q 4.5701 8.5387 129.2734 56.8272 29.7179 175.4937 16 F 4.9464 9.2750 127.7750 57.0584 43.5278 172.2150 17 F 4.9176 8.1127 128.3888 56.3443 41.1808 174.4220 18 V 3.5649 7.0653 126.7565 61.2375 33.1126 174.2870 19 S 4.5032 7.9724 123.1975 56.5927 62.9427 174.8362 20 F 4.5190 8.7025 127.6005 60.0590 38.9631 177.9736 21 K 4.6161 8.0870 119.4396 59.3967 32.5728 178.8168 22 D 4.4762 7.9645 118.8443 56.0343 40.8245 176.9884 23 I 4.1961 7.3588 110.5416 60.1264 37.3085 176.8829 24 G 4.1481 8.0873 108.8827 46.0924 0.0000 175.3968 25 W 4.6411 8.1183 118.6212 57.7006 29.3624 177.2411 26 N 4.5503 8.0006 117.0379 54.4685 37.0866 176.3438 27 D 4.7364 8.2173 117.8126 54.3589 40.1642 176.5116 28 W 5.1129 7.9933 115.1895 55.7506 29.8962 174.5271 29 I 4.3684 7.2702 120.6001 59.5833 37.9342 175.5755 30 I 4.0065 8.4878 126.8007 63.5418 37.7291 176.4105 31 A 4.6455 7.3737 121.0973 50.0832 21.8262 174.0770 32 P 4.8214 0.0000 0.0000 62.0320 32.8683 176.2519 33 S 4.5249 8.5557 111.2875 59.3782 63.5702 173.6478 34 G 3.4635 7.5352 107.9675 45.8457 0.0000 171.1972 35 Y 4.5611 6.3469 115.6509 56.0851 41.6889 174.3555 36 H 5.0146 8.7998 117.9828 55.4168 27.6436 174.9339 37 A 4.1093 7.9691 126.0071 52.7437 19.7854 178.1401 38 N 4.6345 8.5136 113.9309 53.3121 38.6634 171.9330 39 Y 4.9122 8.0243 115.4103 56.9007 41.8026 172.7396 40 C 5.4088 8.6853 116.5359 55.6862 42.2035 173.2465 41 E 4.7250 8.9398 121.1720 56.1846 33.2997 173.5485 42 G 4.0045 8.7551 110.4921 43.5539 0.0000 173.0427 43 E 4.2680 8.6829 117.2360 55.8990 30.4090 175.4177 44 C 5.1464 8.4094 118.3578 54.6246 40.6428 172.1318 45 P 4.6477 0.0000 0.0000 61.5918 32.5459 176.6008 46 S 4.5687 8.3188 112.9911 56.8893 62.4648 172.2526 47 H 4.5011 8.7106 123.1677 56.5493 29.7447 175.5403 48 I 4.1125 7.5569 120.1741 59.2161 36.5152 174.9536 49 A 3.8257 8.4108 127.9966 54.0224 18.4871 177.4373 50 G 3.9447 9.3276 108.9126 45.9938 0.0000 173.3164 51 T 4.6236 7.7111 116.2801 62.0967 72.4152 174.0244 52 S 4.7363 8.4782 120.8480 57.2143 66.2263 173.7495 53 G 3.7347 8.5325 114.8243 45.2990 0.0000 175.5957 54 S 4.1558 8.5759 120.1308 58.1662 62.4124 174.7284 55 S 4.1402 8.6594 122.0799 60.0244 63.4623 174.9060 56 L 4.2816 7.4281 120.2250 56.1102 42.2876 177.3927 57 S 4.2439 7.5681 114.1292 57.8253 62.9322 173.8300 58 F 3.9453 9.1275 131.5271 62.0026 39.2562 175.9697 59 H 3.8836 8.5352 117.1569 59.8427 29.6549 176.7119 60 S 4.2206 8.4290 115.1982 61.0794 63.1103 176.3199 61 T 3.9275 7.9813 119.8969 66.2354 68.0486 177.0492 62 V 3.5003 7.7909 115.1174 64.1005 31.5552 178.5141 63 I 3.3133 7.5899 119.4558 64.3962 36.6131 177.6525 64 N 4.0366 8.3173 118.2125 57.2506 38.3690 176.2296 65 H 4.1422 7.7945 117.9120 59.6168 30.2014 176.5321 66 Y 4.2995 8.4790 119.8335 61.6825 37.9971 179.1323 67 R 4.3781 9.0903 122.8707 62.0060 29.1823 182.5280 68 M 4.6031 7.7152 118.5013 55.8550 31.4459 178.4159 69 R 4.5737 8.0534 117.1652 56.9938 34.2780 177.6910 *73 P 4.2997 0.0000 0.0000 62.3876 32.3877 181.8064 74 F 5.1482 7.5426 115.5483 58.0312 40.3544 176.6295 75 A 4.1222 8.4358 127.8854 56.2083 18.5597 180.5788 76 N 4.8047 8.1687 108.5055 52.8492 37.3968 176.2926 77 L 4.6966 7.9660 121.3244 54.9233 43.1541 176.8865 78 K 4.7436 8.3422 122.3133 52.7324 35.6527 174.6352 79 S 4.8455 8.5564 114.9427 57.6356 64.9619 173.8324 80 C 4.6634 8.6793 122.5093 58.2159 31.2045 172.1415 81 C 4.8815 8.5772 120.7765 56.0734 44.0986 172.8064 82 V 4.7117 8.7649 119.0440 58.6543 36.4830 173.2032 83 P 4.8647 0.0000 0.0000 63.4417 31.0637 176.7243 84 T 4.5133 9.0421 114.0288 61.7319 70.7979 174.6190 85 K 4.5683 7.8610 124.0749 55.1561 35.3756 174.6644 86 L 5.4381 8.6919 126.3703 52.9618 45.5045 175.6366 87 R 4.8256 8.6334 120.2987 53.9551 33.6000 173.1154 88 P 5.0197 0.0000 0.0000 62.7609 33.0244 174.6892 89 M 4.8835 8.7235 118.8552 53.6742 35.9646 174.3717 90 S 4.9536 8.6757 120.6588 58.9146 63.8963 173.2701 91 M 4.9913 9.6432 123.1803 53.7226 36.3755 173.4451 92 L 5.2271 8.7459 126.3845 53.5859 44.9071 174.7580 93 Y 5.1732 8.4587 123.7192 56.3386 42.3063 172.8472 94 Y 5.1076 9.0876 118.3684 56.3903 39.5150 176.4870 95 D 4.8479 8.7977 124.6031 52.6299 40.8183 176.5464 96 D 4.4780 8.6110 116.6694 55.4409 40.5308 177.2902 97 G 3.9270 8.7330 107.8558 44.8205 0.0000 173.9214 98 Q 3.8102 8.0914 116.8567 56.7789 26.8408 173.4016 99 N 4.6878 8.1770 114.9283 52.9430 39.5183 174.1448 100 I 4.3460 8.1091 122.7422 60.6706 38.2831 175.2129 101 I 4.2882 8.3000 127.9032 59.0837 40.1986 174.2733 102 K 4.8447 8.4567 127.6474 54.6357 33.6725 175.1093 103 K 4.6870 9.2066 128.2311 54.7304 36.3407 175.0688 104 D 5.0727 8.7913 125.9478 53.7904 41.2539 175.7184 105 I 4.2568 8.6909 126.5177 60.0416 38.3979 176.2076 106 Q 4.3304 8.7376 126.2379 56.1209 29.6981 175.3443 107 N 4.2581 8.5414 115.7387 55.0629 35.9165 175.6446 108 M 4.4128 8.3182 118.2405 57.0232 33.7784 177.5302 109 I 4.6294 7.8945 120.2144 59.2667 39.9158 175.4221 110 V 4.0470 8.6521 128.4807 62.9406 31.0812 175.0516 111 E 4.5333 9.0325 129.5529 57.4474 31.1092 175.7715 112 E 4.8590 7.9496 116.9112 55.0431 34.2448 174.8935 113 C 5.5045 8.6429 119.4396 55.5668 44.0433 173.4807 114 G 4.3198 8.8067 107.4323 45.3139 0.0000 171.7091 115 C 5.1493 8.7077 119.7859 56.4369 41.1762 173.9866 116 S 4.3896 9.1359 117.8302 58.6170 62.4920 174.0256 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 G 8.35 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 2 L 7.49 4.32 0.00 1.80 1.56 0.91 0.51 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 3 E 8.93 4.92 0.00 1.99 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 2.18 2.43 0.00 4 C 8.57 4.66 0.00 2.83 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 5 D 8.41 4.55 0.00 2.70 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *8 V 7.60 3.98 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 0.74 0.00 0.00 0.93 0.00 0.00 9 N 7.65 4.59 0.00 2.69 2.52 0.00 0.00 7.10 7.94 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 10 I 8.64 4.14 1.85 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 1.22 0.65 0.87 0.00 0.00 11 C 8.30 4.07 0.00 3.11 2.97 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 0.00 0.00 0.00 12 C 9.39 4.94 0.00 3.02 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 13 K 8.97 4.70 0.00 1.81 1.67 0.00 1.59 0.00 0.00 1.74 0.00 0.00 2.76 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.30 1.35 7.81 14 K 8.62 4.41 0.00 1.23 0.74 0.00 1.43 0.00 0.00 1.59 0.00 0.00 2.82 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.61 1.11 7.81 15 Q 8.54 4.57 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.41 0.00 0.00 0.00 0.00 0.00 2.28 2.37 0.00 16 F 9.27 4.95 0.00 3.37 2.99 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 17 F 8.11 4.92 0.00 2.89 2.65 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 18 V 7.07 3.56 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 0.51 0.00 0.00 0.73 0.00 0.00 19 S 7.97 4.50 0.00 3.88 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 20 F 8.70 4.52 0.00 3.26 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 21 K 8.09 4.62 0.00 1.98 2.13 0.00 1.69 0.00 0.00 1.81 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.44 7.81 22 D 7.96 4.48 0.00 2.78 2.74 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 23 I 7.36 4.20 1.46 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 -0.07 0.72 0.00 0.00 24 G 8.09 4.15 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 0.00 25 W 8.12 4.64 0.00 3.35 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 26 N 8.00 4.55 0.00 2.82 3.19 0.00 0.00 6.69 7.95 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 27 D 8.22 4.74 0.00 2.89 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 28 W 7.99 5.11 0.00 3.60 3.29 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.27 4.37 1.27 0.00 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.08 -0.36 0.64 0.00 0.00 30 I 8.49 4.01 1.88 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.34 0.90 0.00 0.00 31 A 7.37 4.65 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 32 P 0.00 4.82 0.00 2.47 2.16 0.00 3.88 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.99 0.00 33 S 8.56 4.52 0.00 4.11 4.23 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 34 G 7.54 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 6.35 4.56 0.00 2.94 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 36 H 8.80 5.01 0.00 3.18 3.36 0.00 5.70 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 A 7.97 4.11 0.98 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 38 N 8.51 4.63 0.00 3.06 2.96 0.00 0.00 6.84 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 Y 8.02 4.91 0.00 2.99 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 40 C 8.69 5.41 0.00 3.02 3.03 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 41 E 8.94 4.72 0.00 2.05 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 2.27 2.41 0.00 42 G 8.76 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.68 4.27 0.00 2.19 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 2.28 2.28 0.00 44 C 8.41 5.15 0.00 3.03 3.05 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 0.00 0.00 0.00 0.00 45 P 0.00 4.65 0.00 2.31 2.34 0.00 3.66 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 1.77 1.86 0.00 46 S 8.32 4.57 0.00 3.82 3.81 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 47 H 8.71 4.50 0.00 3.14 3.32 0.00 5.76 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 I 7.56 4.11 1.88 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 1.36 0.79 0.91 0.00 0.00 49 A 8.41 3.83 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 50 G 9.33 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 51 T 7.71 4.62 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 1.27 0.00 0.00 52 S 8.48 4.74 0.00 3.58 3.60 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 53 G 8.53 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 0.00 0.00 0.00 54 S 8.58 4.16 0.00 3.87 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 55 S 8.66 4.14 0.00 4.02 3.97 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 0.00 0.00 0.00 56 L 7.43 4.28 0.00 1.62 1.79 0.93 1.08 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 57 S 7.57 4.24 0.00 3.79 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 58 F 9.13 3.95 0.00 3.18 3.11 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 59 H 8.54 3.88 0.00 3.32 3.36 0.00 5.72 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 S 8.43 4.22 0.00 4.07 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 61 T 7.98 3.93 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 1.06 0.00 0.00 62 V 7.79 3.50 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 0.92 0.00 0.00 63 I 7.59 3.31 1.64 0.00 0.00 0.48 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 0.72 0.39 0.00 0.00 64 N 8.32 4.04 0.00 2.66 2.95 0.00 0.00 6.96 7.52 0.00 0.00 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 H 7.79 4.14 0.00 3.30 3.28 0.00 5.84 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 8.48 4.30 0.00 3.28 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 R 9.09 4.38 0.00 1.73 1.96 0.00 3.26 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 68 M 7.72 4.60 0.00 1.99 2.08 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.48 0.00 69 R 8.05 4.57 0.00 1.81 1.75 0.00 3.30 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.44 0.00 *73 P 0.00 4.30 0.00 2.11 1.99 0.00 3.65 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.62 0.00 74 F 7.54 5.15 0.00 2.95 2.98 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 75 A 8.44 4.12 1.32 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 0.00 0.00 0.00 76 N 8.17 4.80 0.00 2.76 2.71 0.00 0.00 6.61 7.79 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 77 L 7.97 4.70 0.00 1.70 1.65 0.95 0.69 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 78 K 8.34 4.74 0.00 1.72 1.52 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.24 0.98 7.81 79 S 8.56 4.85 0.00 3.71 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 80 C 8.68 4.66 0.00 2.90 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 C 8.58 4.88 0.00 3.12 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 82 V 8.76 4.71 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 0.70 0.00 0.00 0.99 0.00 0.00 83 P 0.00 4.86 0.00 1.96 2.03 0.00 3.67 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 84 T 9.04 4.51 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 1.24 0.00 0.00 85 K 7.86 4.57 0.00 1.86 1.66 0.00 1.56 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.55 7.81 86 L 8.69 5.44 0.00 1.69 1.66 1.00 0.93 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 87 R 8.63 4.83 0.00 2.01 1.75 0.00 3.14 0.00 0.00 3.26 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 88 P 0.00 5.02 0.00 2.13 2.23 0.00 3.78 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 2.00 1.97 0.00 89 M 8.72 4.88 0.00 1.91 1.76 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 90 S 8.68 4.95 0.00 3.80 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 91 M 9.64 4.99 0.00 2.06 1.78 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.36 0.00 92 L 8.75 5.23 0.00 1.75 1.44 0.84 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 93 Y 8.46 5.17 0.00 3.29 2.78 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 94 Y 9.09 5.11 0.00 3.11 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 95 D 8.80 4.85 0.00 2.99 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 96 D 8.61 4.48 0.00 2.62 2.66 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 97 G 8.73 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 98 Q 8.09 3.81 0.00 2.22 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.69 6.81 0.00 0.00 0.00 0.00 0.00 2.16 2.29 0.00 99 N 8.18 4.69 0.00 2.93 2.70 0.00 0.00 7.01 7.49 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 0.00 100 I 8.11 4.35 1.73 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.49 0.59 0.00 0.00 101 I 8.30 4.29 0.56 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 0.93 0.81 0.74 0.00 0.00 102 K 8.46 4.84 0.00 1.67 1.64 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.49 1.32 7.81 103 K 9.21 4.69 0.00 2.00 1.74 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.38 1.45 7.81 104 D 8.79 5.07 0.00 2.62 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.69 4.26 1.83 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 1.20 0.90 0.90 0.00 0.00 106 Q 8.74 4.33 0.00 1.95 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.85 0.00 0.00 0.00 0.00 0.00 2.38 2.35 0.00 107 N 8.54 4.26 0.00 2.91 2.96 0.00 0.00 6.94 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 0.00 108 M 8.32 4.41 0.00 1.77 2.10 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.61 0.00 109 I 7.89 4.63 2.09 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.00 1.07 0.00 0.00 110 V 8.65 4.05 2.28 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 0.73 0.00 0.00 1.01 0.00 0.00 111 E 9.03 4.53 0.00 2.05 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 2.26 2.30 0.00 112 E 7.95 4.86 0.00 1.96 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 0.00 2.30 2.40 0.00 113 C 8.64 5.50 0.00 2.79 2.94 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 0.00 114 G 8.81 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 0.00 0.00 0.00 0.00 115 C 8.71 5.15 0.00 2.86 3.03 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 0.00 116 S 9.14 4.39 0.00 3.82 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.