NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.8629 8.0748 116.7671 64.0023 69.5036 176.1636 3 T 3.5279 7.3206 117.6343 61.7925 66.8339 174.1726 4 F 4.2295 7.3374 121.3332 55.9603 39.9489 174.6042 5 R 4.3097 7.6322 120.0303 54.3826 33.6260 173.6605 6 F 5.2263 8.0631 120.2027 55.3200 41.9100 175.2367 7 C 3.7106 8.7757 122.5248 59.7696 32.8801 174.5519 8 R 4.3607 7.4724 119.5553 56.5138 31.4133 174.7545 9 D 4.6024 8.4886 116.9907 56.1720 39.6891 174.5315 10 C 4.1413 8.3851 120.2492 59.5676 30.8176 174.0965 11 N 4.8204 7.6800 116.3711 54.1727 37.4319 173.4948 12 N 4.7921 7.7350 113.2649 51.5750 41.0139 174.2388 13 M 4.8283 8.6081 119.6376 55.9789 33.1535 174.9793 14 L 5.0999 7.8483 123.3757 53.3749 43.9859 175.4474 15 Y 4.9558 9.0520 121.4323 55.3050 40.5167 173.7064 16 P 4.7985 0.0000 0.0000 63.3853 32.4666 175.7323 17 R 4.6876 9.2532 119.6620 55.1586 35.1558 173.4306 18 E 4.7933 8.6241 122.5720 55.1493 31.5577 175.1074 19 D 4.6913 8.5815 126.8506 52.9282 41.4740 177.1152 20 K 4.2116 8.7536 126.0735 58.2860 32.5423 178.2823 21 E 4.2821 8.1190 117.7937 57.7892 29.8822 176.8058 22 N 4.8728 7.9190 111.7306 51.8421 40.3972 173.8524 23 N 4.1961 8.0306 115.6754 53.5107 36.0448 172.8635 24 R 4.6735 7.2419 115.6928 54.7736 34.3046 174.2952 25 L 4.8101 8.3446 121.4324 53.4765 44.1381 174.8717 26 L 5.1661 8.4479 125.3471 52.9561 45.7394 175.2453 27 F 5.4457 9.1324 122.3156 55.9211 41.2250 174.7111 28 E 5.3035 9.5766 121.3982 54.6186 33.1523 174.3587 29 C 5.0332 9.2228 123.1775 55.8067 44.2886 173.3964 30 R 4.4456 8.7335 122.6129 56.5013 29.2658 176.9990 31 T 4.4571 7.8596 113.0998 63.0978 69.5400 173.1284 32 C 5.1675 7.9848 111.9505 55.8346 40.6680 175.8689 33 S 4.4346 9.2532 111.1568 58.3035 67.5049 173.2578 34 Y 4.3275 8.1099 122.6500 58.4997 39.5468 175.0980 35 V 5.0493 7.1504 122.7412 61.5662 35.1064 173.2223 36 E 4.8362 9.6504 123.1546 54.4714 33.6457 174.2361 37 E 4.7800 8.7029 118.5342 55.6994 31.0590 175.8600 38 A 4.5067 8.1184 122.4835 51.6395 19.6778 176.8350 *40 S 4.3111 8.3717 113.2085 57.4664 64.1092 173.2808 41 P 4.3035 0.0000 0.0000 65.1370 31.4967 176.9538 42 L 3.9761 7.9076 119.2633 55.7568 42.3641 175.2322 43 V 4.2913 8.5567 122.2531 64.0661 33.4441 174.6604 44 Y 4.7765 7.8998 118.3694 55.5017 41.3263 174.4581 45 R 4.4572 7.3653 125.0059 55.0237 33.2801 173.0694 46 H 4.3710 8.9620 123.7278 57.6498 31.0532 172.8696 47 E 3.6044 7.9745 126.1199 56.4936 26.4777 175.0116 48 L 3.9417 8.4046 123.3867 56.4630 42.2168 177.4620 49 I 4.2527 7.5475 120.0727 60.0434 37.0410 174.7036 50 T 4.8710 8.0475 120.9911 61.1416 70.9670 174.4524 51 N 4.8794 8.4976 120.9861 54.4730 40.4759 175.4243 52 I 3.9768 7.5773 111.9884 61.5332 37.8763 174.3232 53 G 3.6793 9.2355 117.3453 46.0429 0.0000 174.5613 54 E 3.7878 8.2298 120.0205 59.4611 29.4391 177.6976 55 T 4.4223 7.4038 119.6321 61.9814 67.3961 173.2510 56 A 4.4524 7.8007 127.1018 51.6002 22.1380 176.4887 57 G 3.7301 8.9714 110.5061 45.1720 0.0000 174.3566 58 V 3.7348 7.2947 119.3655 62.1741 30.3044 175.1769 59 V 4.3596 7.6706 125.9150 60.1512 34.0159 176.1680 60 Q 3.9848 8.6819 123.4255 59.2507 28.9050 176.8056 61 D 4.7913 7.9616 115.5591 54.1905 41.0032 177.9222 62 I 3.7292 7.7887 122.8478 63.7452 38.0649 178.2878 63 G 3.6968 8.0819 108.2524 47.5403 0.0000 174.1745 64 S 4.4155 7.6101 112.5800 58.3763 63.7150 173.7818 65 D 4.4393 7.6485 122.8066 53.4598 41.5327 174.0189 66 P 4.4039 0.0000 0.0000 65.9376 31.7825 178.5257 67 T 3.9002 7.7162 108.4963 64.1487 68.5644 174.3148 68 L 4.2964 7.3238 120.9140 53.4804 42.5643 175.6703 69 P 4.5317 0.0000 0.0000 62.5929 33.2196 175.0128 70 R 5.3059 8.4589 119.0910 54.8414 33.1803 175.8028 71 S 4.8566 9.0846 119.0120 57.0802 66.1611 172.9440 72 D 4.9791 8.3712 114.5431 52.6778 38.7260 173.4648 73 R 4.6734 7.5120 119.7257 55.0061 34.6005 174.4167 74 E 4.9111 8.1363 117.9119 54.4896 31.3638 175.9475 75 C 2.9995 8.1801 123.5518 58.3234 31.8414 172.6648 76 P 4.1405 0.0000 0.0000 64.7286 31.2012 176.6514 77 K 4.1975 7.4781 115.1228 58.2593 33.6117 177.6509 78 C 4.1123 7.7368 115.5981 61.0928 28.3621 174.5934 79 H 4.1524 8.3455 114.5642 56.5663 26.9325 174.6310 80 S 4.4159 7.3996 115.0879 58.2371 63.9382 174.7908 81 R 5.3539 8.4230 121.0241 55.5935 31.1335 176.2076 82 E 4.5809 8.2178 120.6381 55.2315 30.2639 174.5988 83 N 6.1504 9.0058 120.8257 50.4124 42.9306 174.7865 84 V 4.7367 8.3776 119.2843 60.6846 34.3494 174.0365 85 F 5.3271 8.3562 120.0528 54.0250 40.9767 173.8831 86 F 4.5789 7.4727 111.1916 56.3486 40.3648 173.1647 87 Q 5.0495 8.7918 121.5713 54.0355 30.6147 174.7296 88 S 3.9145 8.9203 115.3814 59.3016 62.3206 174.1781 89 Q 4.1977 8.1788 123.5880 56.2263 28.9284 175.9525 90 Q 4.0977 7.5614 118.7313 55.8466 29.1166 177.5675 91 R 4.2949 8.2881 126.6618 54.8161 28.7424 174.9274 92 R 4.6802 7.4506 118.1431 53.9147 33.5828 176.1307 93 K 4.1442 8.6604 119.9953 59.5933 32.0768 178.5033 94 D 4.8256 7.8659 115.5380 53.6133 39.7240 176.4987 95 T 4.0510 7.7834 116.2196 64.3339 69.3010 174.3107 96 S 4.5528 8.4395 119.4009 58.2424 64.2217 173.8204 97 M 4.3385 8.3139 120.8600 55.9377 32.2452 176.9115 98 V 3.7658 7.6682 118.5778 63.0865 33.2254 174.5379 99 L 4.8256 8.1054 125.2600 53.0801 44.5119 175.4373 100 F 4.7606 8.3383 120.7693 55.6647 41.9115 174.4727 101 F 4.9002 9.2385 122.7400 55.5550 42.3064 175.0074 102 V 4.8788 8.1683 120.3300 61.1044 34.4929 174.3514 103 C 4.7247 9.3590 129.7139 59.8813 31.9133 174.2116 104 L 4.3551 9.0123 126.2455 56.8829 41.4645 178.2517 105 S 4.5271 8.3066 113.5212 59.5930 63.3820 174.2779 106 C 4.7088 7.4751 110.8362 56.5053 30.9222 174.3427 107 S 3.9347 8.2101 115.2333 59.7867 60.5627 170.1267 108 H 4.7751 8.1409 120.5228 55.6223 31.2329 174.0330 109 I 5.4432 8.7302 126.7924 59.5327 37.6538 174.7412 110 F 5.1191 8.6607 121.9084 55.1980 41.3581 174.2706 111 T 5.0596 8.4209 115.2347 61.7131 71.3234 174.3795 112 S 4.5083 8.6069 118.6208 58.7708 63.7537 174.1180 113 D 4.4030 7.9245 120.6269 54.8903 41.4480 175.5505 114 Q 4.5478 8.5389 122.3683 55.7942 31.0824 176.5739 115 K 4.2797 8.0419 115.9813 58.2069 33.1998 176.5185 116 N 4.4262 8.5652 116.5497 53.0258 38.9681 175.1040 117 K 4.4363 8.5658 121.9221 54.7870 33.5214 175.7351 118 R 4.6149 8.5003 123.2667 54.7816 32.0468 176.2059 119 T 4.3428 8.4835 119.2241 64.5152 69.5863 174.9351 120 Q 4.2053 7.9975 124.4352 56.0982 28.8478 175.6397 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 8.07 4.86 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 1.37 0.00 0.00 3 T 7.32 3.53 4.10 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 0.96 0.00 0.00 4 F 7.34 4.23 0.00 2.73 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 5 R 7.63 4.31 0.00 1.55 1.48 0.00 3.06 0.00 0.00 3.57 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.45 0.00 6 F 8.06 5.23 0.00 2.96 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 7 C 8.78 3.71 0.00 2.84 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 8 R 7.47 4.36 0.00 2.01 2.05 0.00 3.25 0.00 0.00 3.52 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.58 0.00 9 D 8.49 4.60 0.00 2.80 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 10 C 8.39 4.14 0.00 3.06 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 11 N 7.68 4.82 0.00 2.80 2.83 0.00 0.00 7.15 7.85 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 12 N 7.74 4.79 0.00 2.75 2.82 0.00 0.00 6.64 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 13 M 8.61 4.83 0.00 1.88 1.95 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.67 0.00 14 L 7.85 5.10 0.00 1.54 1.73 1.07 0.99 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 15 Y 9.05 4.96 0.00 2.99 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 16 P 0.00 4.80 0.00 2.02 1.91 0.00 3.99 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.14 0.00 17 R 9.25 4.69 0.00 1.71 1.79 0.00 3.30 0.00 0.00 3.10 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 18 E 8.62 4.79 0.00 1.94 1.81 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 2.21 2.26 0.00 19 D 8.58 4.69 0.00 2.76 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.75 4.21 0.00 1.78 1.84 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.58 1.45 7.81 21 E 8.12 4.28 0.00 2.18 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 0.00 2.30 2.26 0.00 22 N 7.92 4.87 0.00 2.64 2.76 0.00 0.00 6.98 8.00 0.00 0.00 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 N 8.03 4.20 0.00 2.87 2.82 0.00 0.00 6.68 7.44 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 24 R 7.24 4.67 0.00 1.80 1.95 0.00 2.92 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 25 L 8.34 4.81 0.00 1.68 1.44 0.68 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 26 L 8.45 5.17 0.00 1.70 1.52 0.89 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 27 F 9.13 5.45 0.00 3.15 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 28 E 9.58 5.30 0.00 2.20 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 0.00 2.38 2.35 0.00 29 C 9.22 5.03 0.00 3.16 3.25 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 30 R 8.73 4.45 0.00 1.84 1.91 0.00 2.21 0.00 0.00 2.74 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.34 0.00 31 T 7.86 4.46 4.29 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 1.28 0.00 0.00 32 C 7.98 5.17 0.00 3.09 2.40 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 33 S 9.25 4.43 0.00 3.88 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 34 Y 8.11 4.33 0.00 3.13 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 35 V 7.15 5.05 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 0.82 0.00 0.00 1.00 0.00 0.00 36 E 9.65 4.84 0.00 2.06 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 2.53 2.53 0.00 37 E 8.70 4.78 0.00 2.01 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 0.00 2.30 2.37 0.00 38 A 8.12 4.51 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 *40 S 8.37 4.31 0.00 4.08 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 41 P 0.00 4.30 0.00 2.23 2.25 0.00 3.84 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.97 0.00 42 L 7.91 3.98 0.00 1.63 1.68 1.02 0.84 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 43 V 8.56 4.29 2.17 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 0.95 0.00 0.00 1.02 0.00 0.00 44 Y 7.90 4.78 0.00 2.92 2.79 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 45 R 7.37 4.46 0.00 1.63 1.54 0.00 3.28 0.00 0.00 3.12 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.56 0.00 46 H 8.96 4.37 0.00 3.30 3.37 0.00 6.13 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 7.97 3.60 0.00 2.14 1.91 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 2.28 2.26 0.00 48 L 8.40 3.94 0.00 1.63 1.72 0.97 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 49 I 7.55 4.25 1.88 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 1.42 0.57 0.93 0.00 0.00 50 T 8.05 4.87 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 1.35 0.00 0.00 51 N 8.50 4.88 0.00 2.83 2.87 0.00 0.00 6.76 6.97 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 52 I 7.58 3.98 1.86 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 1.33 0.50 0.91 0.00 0.00 53 G 9.24 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 0.00 0.00 0.00 0.00 54 E 8.23 3.79 0.00 1.89 1.12 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 2.34 2.36 0.00 55 T 7.40 4.42 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 1.30 0.00 0.00 56 A 7.80 4.45 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 57 G 8.97 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 58 V 7.29 3.73 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 0.88 0.00 0.00 1.05 0.00 0.00 59 V 7.67 4.36 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 0.93 0.00 0.00 0.97 0.00 0.00 60 Q 8.68 3.98 0.00 2.04 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 7.15 0.00 0.00 0.00 0.00 0.00 2.36 2.48 0.00 61 D 7.96 4.79 0.00 2.74 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 62 I 7.79 3.73 2.00 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 1.26 1.31 0.99 0.00 0.00 63 G 8.08 3.70 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 0.00 0.00 0.00 64 S 7.61 4.42 0.00 3.96 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 65 D 7.65 4.44 0.00 2.58 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 66 P 0.00 4.40 0.00 2.24 2.27 0.00 3.75 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.94 0.00 67 T 7.72 3.90 4.19 0.00 0.00 0.00 0.00 0.00 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 68 L 7.32 4.30 0.00 1.61 1.55 0.86 0.96 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 69 P 0.00 4.53 0.00 1.67 1.95 0.00 3.42 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 1.41 0.00 70 R 8.46 5.31 0.00 1.76 2.03 0.00 3.24 0.00 0.00 3.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.62 0.00 71 S 9.08 4.86 0.00 3.99 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 72 D 8.37 4.98 0.00 2.77 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 73 R 7.51 4.67 0.00 1.84 1.77 0.00 2.21 0.00 0.00 3.03 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.48 0.00 74 E 8.14 4.91 0.00 1.79 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 2.19 2.19 0.00 75 C 8.18 3.00 0.00 2.95 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 76 P 0.00 4.14 0.00 1.98 2.00 0.00 3.05 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.79 0.00 77 K 7.48 4.20 0.00 1.54 1.69 0.00 1.44 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.21 1.17 7.81 78 C 7.74 4.11 0.00 2.94 2.95 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 79 H 8.35 4.15 0.00 3.21 3.29 0.00 5.65 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 S 7.40 4.42 0.00 3.94 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 81 R 8.42 5.35 0.00 1.70 1.95 0.00 3.24 0.00 0.00 3.89 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.48 0.00 82 E 8.22 4.58 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 2.36 2.36 0.00 83 N 9.01 6.15 0.00 2.84 3.01 0.00 0.00 7.04 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 84 V 8.38 4.74 2.17 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 1.03 0.00 0.00 1.02 0.00 0.00 85 F 8.36 5.33 0.00 2.26 2.47 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 86 F 7.47 4.58 0.00 3.03 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 Q 8.79 5.05 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.84 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 88 S 8.92 3.91 0.00 4.14 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 89 Q 8.18 4.20 0.00 2.28 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.68 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 90 Q 7.56 4.10 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.94 7.38 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 91 R 8.29 4.29 0.00 1.77 1.88 0.00 3.30 0.00 0.00 3.14 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.52 0.00 92 R 7.45 4.68 0.00 1.83 1.79 0.00 3.25 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 93 K 8.66 4.14 0.00 1.80 1.86 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.43 7.81 94 D 7.87 4.83 0.00 2.79 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 95 T 7.78 4.05 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 1.32 0.00 0.00 96 S 8.44 4.55 0.00 4.02 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 97 M 8.31 4.34 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.74 0.00 98 V 7.67 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 0.40 0.00 0.00 0.92 0.00 0.00 99 L 8.11 4.83 0.00 1.34 0.71 0.64 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 100 F 8.34 4.76 0.00 1.70 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.24 4.90 0.00 1.51 2.36 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 0.00 102 V 8.17 4.88 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 1.06 0.00 0.00 1.11 0.00 0.00 103 C 9.36 4.72 0.00 3.24 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 0.00 104 L 9.01 4.36 0.00 1.71 1.77 0.99 1.13 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 0.00 105 S 8.31 4.53 0.00 3.88 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 0.00 106 C 7.48 4.71 0.00 3.02 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 0.00 107 S 8.21 3.93 0.00 4.13 4.08 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 0.00 108 H 8.14 4.78 0.00 3.28 3.26 0.00 5.85 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 0.00 109 I 8.73 5.44 1.96 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.66 1.05 0.00 0.00 110 F 8.66 5.12 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 0.00 111 T 8.42 5.06 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 0.79 0.00 0.00 112 S 8.61 4.51 0.00 3.95 4.26 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 0.00 113 D 7.92 4.40 0.00 2.52 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 0.00 114 Q 8.54 4.55 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.67 0.00 0.00 0.00 0.00 0.00 2.22 2.46 0.00 115 K 8.04 4.28 0.00 1.73 1.83 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.43 7.81 116 N 8.57 4.43 0.00 3.05 2.75 0.00 0.00 7.00 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 0.00 117 K 8.57 4.44 0.00 1.71 1.74 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.57 7.81 118 R 8.50 4.61 0.00 1.79 1.88 0.00 3.21 0.00 0.00 3.32 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 119 T 8.48 4.34 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 1.24 0.00 0.00 120 Q 8.00 4.21 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.65 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.