NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -13 G 3.9264 8.2127 109.7372 45.3512 0.0000 175.4530 -12 V 3.3706 7.7779 119.6895 64.9544 31.8056 176.7846 -11 D 4.3996 9.0719 119.7124 57.4882 41.5605 176.9135 -10 L 4.3337 7.9580 115.6757 54.9153 42.1404 178.1124 -9 G 3.8092 7.5796 107.5992 45.0732 0.0000 174.8907 -8 T 3.9966 8.4546 113.7328 64.1531 69.0462 176.8054 -7 E 3.8962 8.1003 122.1886 59.2676 29.6909 178.1034 -6 N 4.4886 8.1482 116.6733 56.5869 39.2026 176.6584 -5 L 4.0092 8.2713 120.7133 57.8090 41.4796 178.6424 -4 Y 4.0769 8.1853 118.7570 60.8307 38.8016 177.7157 -3 F 4.3306 8.2930 119.8766 61.6056 39.5856 176.7738 -2 Q 3.8610 8.2615 116.8678 58.4209 28.6768 179.2433 -1 S 4.1762 7.5282 115.0245 58.2996 63.5626 175.8645 *26 R 4.0703 7.9817 122.1611 57.4227 32.0805 178.1689 27 F 4.4894 7.6697 115.9050 60.9575 38.8676 176.9906 28 H 4.1543 8.2802 117.2795 59.3449 29.6940 177.1326 29 L 3.9061 7.8055 120.2394 57.7501 41.0004 179.2408 30 E 3.9725 8.3103 118.5601 59.4514 29.3535 179.4813 31 I 3.7829 8.1068 120.3005 64.3326 37.0918 178.2406 32 Q 3.9458 8.0770 120.4866 59.1700 28.7803 178.0131 33 E 3.8617 8.1234 120.3746 59.1482 29.6292 178.4405 34 E 3.9644 8.1519 119.5506 59.2524 29.7474 178.6378 35 E 3.1878 8.2573 119.0716 59.3125 29.3696 179.5039 36 T 3.7994 7.9623 115.9555 66.5426 68.4292 176.9636 37 K 3.9847 8.2221 120.5922 59.3807 31.9351 178.6263 38 C 4.2659 8.3908 118.6273 59.6703 43.8840 175.3873 39 A 3.9046 8.3606 122.6913 55.3826 17.9377 179.5112 40 E 3.9407 8.3193 117.0088 59.2217 29.2652 179.3392 41 L 3.9332 8.0294 119.9008 58.2452 42.5316 178.7196 42 L 4.1791 8.1800 119.1351 57.8212 41.3329 179.5242 43 R 3.9525 8.1423 118.9408 59.3081 29.8715 178.3156 44 S 4.3506 7.9998 111.8883 59.8222 63.3028 174.8217 45 Q 4.5676 7.6465 122.0941 55.9574 29.4062 176.2365 46 T 4.1648 7.6762 109.2108 64.1746 68.8317 174.3481 47 E 4.4747 7.7883 120.5137 56.3136 29.8084 176.4834 48 K 4.1766 7.5558 120.7727 56.2387 33.9078 176.2958 49 H 4.1010 8.0035 113.2682 56.7779 25.5908 174.7416 50 K 4.2245 7.8277 116.9093 55.7211 33.2758 177.7441 51 A 3.9616 7.7440 120.9985 55.3688 18.3189 177.6040 52 C 4.6792 7.9995 117.6376 54.9573 41.6774 174.1701 53 S 4.8694 8.7104 119.0157 57.3686 64.0928 174.2435 54 G 4.0922 8.7942 107.9369 46.9867 0.0000 173.2363 55 V 4.8758 8.7387 115.1121 59.2251 36.8228 174.0024 56 W 5.2110 8.8234 132.0938 55.8763 32.3054 174.4368 57 D 4.5086 8.8542 125.4881 54.0814 44.1872 174.2623 58 N 3.9489 9.1350 120.2835 55.2996 36.1586 173.8998 59 I 2.8224 7.2763 110.3207 61.8794 35.5073 174.5722 60 T 3.8766 5.7900 113.8567 61.6671 72.5795 172.3436 61 C 4.9005 8.0025 125.2242 55.4872 39.2739 172.7115 62 W 4.5262 8.8659 126.4698 54.3332 30.7850 175.4137 63 R 4.4317 8.7512 121.6993 55.6413 29.5405 174.9462 64 P 5.0136 0.0000 0.0000 63.6279 32.2473 175.2268 65 A 4.8114 8.9683 122.3488 51.3804 23.2792 174.9973 66 N 5.1481 9.8645 117.2590 50.9152 42.0323 175.2540 67 V 3.7921 8.2087 113.6805 63.6042 31.9675 177.1830 68 G 3.9882 8.8547 112.5253 45.1708 0.0000 173.5848 69 E 4.4121 7.9224 119.6064 56.3089 31.1207 175.7869 70 T 5.0932 8.4872 118.6893 61.9236 71.5192 173.3820 71 V 4.4887 9.1288 127.1613 61.7190 33.5753 174.5733 72 T 5.2324 8.5947 123.6585 62.0041 71.5494 173.5968 73 V 4.6174 8.8624 118.9252 58.4550 36.3470 173.4270 74 P 5.2853 0.0000 0.0000 62.2900 32.0151 176.8531 75 C 4.4096 8.5324 118.7866 56.3551 39.5017 172.3256 76 P 4.4087 0.0000 0.0000 62.5457 31.4996 177.9911 77 K 4.2678 8.7538 122.6107 59.2310 33.0389 179.3571 78 V 3.7445 7.6859 118.1621 63.5433 31.1986 176.5919 79 F 5.1341 7.5243 117.3902 57.2117 39.0328 177.7059 80 S 4.0317 8.2583 121.1188 62.0172 62.6786 176.4807 81 N 4.3539 8.0022 114.8717 54.6743 38.6647 175.3756 82 F 4.6173 8.1249 116.4473 57.1415 39.8523 174.7037 83 Y 5.2271 7.3771 119.3261 57.3640 38.7218 175.5280 84 S 4.6780 8.3905 117.5281 57.4421 63.5379 173.8157 85 K 4.1787 7.2914 117.0586 56.4166 34.1479 174.1878 86 A 4.1742 8.7017 124.0138 51.8547 18.8926 177.1200 87 G 4.3001 8.1385 108.9213 43.4116 0.0000 170.8186 88 N 5.6669 8.4744 116.0537 51.1164 43.0544 173.6301 89 I 4.9902 8.7501 114.0068 59.4604 41.3183 174.4309 90 S 5.3485 8.4739 118.3007 57.0197 67.5504 173.0986 91 K 4.8491 8.8292 119.6682 54.9362 36.6565 175.0705 92 N 5.4895 9.4059 120.8281 52.0050 41.2845 173.0924 93 C 4.6704 9.0327 123.9907 55.4255 44.0217 172.8368 94 T 4.9290 8.3661 115.7865 59.2656 71.2144 174.7667 95 S 4.2297 8.5026 114.5722 59.8867 62.8882 174.3494 96 D 4.5889 7.4702 120.5207 53.5672 41.7876 174.7274 97 G 3.7024 7.7640 105.3154 43.4347 0.0000 172.9388 98 W 4.9373 8.5073 119.1785 56.6873 29.7437 176.8475 99 S 4.6035 8.9152 119.0941 57.5282 63.9246 173.6563 100 E 4.1671 8.5912 119.4840 56.5087 30.0150 177.3568 101 T 4.1533 8.2423 119.0232 63.6732 69.4224 173.9638 102 F 5.0645 8.6609 120.1819 54.3349 41.6146 172.7415 103 P 4.9620 0.0000 0.0000 61.9612 32.5383 175.6711 104 D 4.5399 8.6656 119.7921 53.3369 40.1481 176.9614 105 F 3.9661 9.1830 123.0111 61.9171 39.2975 177.8731 106 V 3.6126 7.9306 116.9215 66.0918 31.3084 177.5867 107 D 4.3358 8.4972 118.4195 57.2276 40.4749 178.6303 108 A 4.0264 8.5408 121.6372 54.7240 18.1791 178.2223 109 C 4.1042 7.7413 112.4755 55.5253 40.2922 173.8571 110 G 3.7992 7.5843 107.8469 46.5390 0.0000 172.7608 111 Y 5.0897 7.8104 120.2473 57.1479 39.5458 174.7810 112 S 4.4472 7.9126 119.6295 57.1563 66.4588 172.9431 113 D 5.0201 8.2183 120.5218 51.5490 43.7117 173.7774 114 P 4.4311 0.0000 0.0000 63.1040 31.4874 176.0198 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 -13 G 8.21 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 -12 V 7.78 3.37 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 0.95 0.00 0.00 0.93 0.00 0.00 -11 D 9.07 4.40 0.00 2.71 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 -10 L 7.96 4.33 0.00 1.74 1.71 0.93 1.04 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 -9 G 7.58 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 0.00 0.00 0.00 -8 T 8.45 4.00 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 1.23 0.00 0.00 -7 E 8.10 3.90 0.00 2.04 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 2.36 2.28 0.00 -6 N 8.15 4.49 0.00 2.91 2.98 0.00 0.00 7.18 6.66 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 -5 L 8.27 4.01 0.00 1.93 1.75 1.01 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 -4 Y 8.19 4.08 0.00 2.95 3.22 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 -3 F 8.29 4.33 0.00 3.14 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 -2 Q 8.26 3.86 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 7.44 0.00 0.00 0.00 0.00 0.00 2.86 2.55 0.00 -1 S 7.53 4.18 0.00 3.96 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 *26 R 7.98 4.07 0.00 1.54 1.79 0.00 2.96 0.00 0.00 3.07 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.78 0.00 27 F 7.67 4.49 0.00 3.06 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 28 H 8.28 4.15 0.00 3.26 3.28 0.00 5.87 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 L 7.81 3.91 0.00 1.83 1.70 0.95 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.31 3.97 0.00 2.21 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 2.35 2.50 0.00 31 I 8.11 3.78 1.87 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.72 1.01 0.00 0.00 32 Q 8.08 3.95 0.00 1.96 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.80 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 33 E 8.12 3.86 0.00 2.12 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 0.00 2.30 2.35 0.00 34 E 8.15 3.96 0.00 2.40 2.19 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 2.40 2.58 0.00 35 E 8.26 3.19 0.00 1.80 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 1.47 1.47 0.00 36 T 7.96 3.80 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 1.17 0.00 0.00 37 K 8.22 3.98 0.00 1.95 1.86 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.45 1.69 7.81 38 C 8.39 4.27 0.00 3.29 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 39 A 8.36 3.90 1.29 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 0.00 0.00 40 E 8.32 3.94 0.00 2.13 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 0.00 2.54 2.44 0.00 41 L 8.03 3.93 0.00 1.73 1.90 0.94 1.14 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 L 8.18 4.18 0.00 1.76 1.76 1.01 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 43 R 8.14 3.95 0.00 2.06 2.06 0.00 3.15 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 44 S 8.00 4.35 0.00 4.10 4.07 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 45 Q 7.65 4.57 0.00 2.31 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.88 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 46 T 7.68 4.16 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 47 E 7.79 4.47 0.00 1.95 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 0.00 2.25 2.31 0.00 48 K 7.56 4.18 0.00 1.81 1.82 0.00 1.70 0.00 0.00 1.87 0.00 0.00 3.11 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.40 7.81 49 H 8.00 4.10 0.00 3.32 3.35 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 50 K 7.83 4.22 0.00 1.76 1.98 0.00 1.80 0.00 0.00 1.89 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.45 7.81 51 A 7.74 3.96 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 52 C 8.00 4.68 0.00 2.09 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 53 S 8.71 4.87 0.00 3.99 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 54 G 8.79 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 0.00 0.00 0.00 55 V 8.74 4.88 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 0.98 0.00 0.00 0.42 0.00 0.00 56 W 8.82 5.21 0.00 3.38 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 57 D 8.85 4.51 0.00 2.64 2.34 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 58 N 9.13 3.95 0.00 2.95 2.83 0.00 0.00 7.11 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 59 I 7.28 2.82 1.68 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 1.14 0.53 0.95 0.00 0.00 60 T 5.79 3.88 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 -0.08 0.00 0.00 61 C 8.00 4.90 0.00 3.15 2.88 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 62 W 8.87 4.53 0.00 2.85 2.31 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 63 R 8.75 4.43 0.00 1.92 2.02 0.00 3.13 0.00 0.00 3.28 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.88 0.00 64 P 0.00 5.01 0.00 2.05 2.14 0.00 3.82 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.23 0.00 65 A 8.97 4.81 1.19 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 0.00 0.00 0.00 66 N 9.86 5.15 0.00 2.55 2.67 0.00 0.00 7.34 5.12 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 67 V 8.21 3.79 2.03 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 0.63 0.00 0.00 0.89 0.00 0.00 68 G 8.85 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 69 E 7.92 4.41 0.00 2.07 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 2.34 2.41 0.00 70 T 8.49 5.09 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 1.42 0.00 0.00 71 V 9.13 4.49 2.51 0.00 0.00 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 0.00 0.00 1.32 0.00 0.00 72 T 8.59 5.23 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 1.19 0.00 0.00 73 V 8.86 4.62 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 0.48 0.00 0.00 0.34 0.00 0.00 74 P 0.00 5.29 0.00 2.03 2.01 0.00 3.27 0.00 0.00 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.79 0.00 75 C 8.53 4.41 0.00 2.50 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 4.41 0.00 2.27 1.93 0.00 3.88 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.07 0.00 77 K 8.75 4.27 0.00 1.99 2.12 0.00 1.54 0.00 0.00 1.88 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.44 7.81 78 V 7.69 3.74 1.89 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 -0.01 0.00 0.00 0.76 0.00 0.00 79 F 7.52 5.13 0.00 3.01 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 80 S 8.26 4.03 0.00 3.89 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 81 N 8.00 4.35 0.00 2.29 2.39 0.00 0.00 6.76 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 82 F 8.12 4.62 0.00 2.92 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 83 Y 7.38 5.23 0.00 3.01 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 84 S 8.39 4.68 0.00 4.00 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 85 K 7.29 4.18 0.00 1.80 1.76 0.00 1.53 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.17 1.24 7.81 86 A 8.70 4.17 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 87 G 8.14 4.30 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 0.00 88 N 8.47 5.67 0.00 2.55 2.70 0.00 0.00 6.30 7.02 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 89 I 8.75 4.99 2.02 0.00 0.00 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 1.20 1.41 0.90 0.00 0.00 90 S 8.47 5.35 0.00 2.72 3.20 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 91 K 8.83 4.85 0.00 1.17 1.64 0.00 0.61 0.00 0.00 1.01 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.66 0.21 7.81 92 N 9.41 5.49 0.00 2.75 2.79 0.00 0.00 6.61 8.25 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 93 C 9.03 4.67 0.00 2.28 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 94 T 8.37 4.93 4.20 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 1.19 0.00 0.00 95 S 8.50 4.23 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 96 D 7.47 4.59 0.00 2.60 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 97 G 7.76 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 98 W 8.51 4.94 0.00 3.11 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 99 S 8.92 4.60 0.00 3.94 4.04 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 0.00 100 E 8.59 4.17 0.00 1.89 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 2.31 2.29 0.00 101 T 8.24 4.15 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 1.33 0.00 0.00 102 F 8.66 5.06 0.00 2.99 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 0.00 103 P 0.00 4.96 0.00 1.98 2.11 0.00 3.67 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.17 0.00 104 D 8.67 4.54 0.00 2.88 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 0.00 105 F 9.18 3.97 0.00 3.14 3.07 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 0.00 106 V 7.93 3.61 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 1.11 0.00 0.00 1.10 0.00 0.00 107 D 8.50 4.34 0.00 2.94 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 0.00 108 A 8.54 4.03 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 0.00 109 C 7.74 4.10 0.00 2.34 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 0.00 0.00 0.00 110 G 7.58 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 0.00 111 Y 7.81 5.09 0.00 3.09 2.88 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 0.00 112 S 7.91 4.45 0.00 3.81 3.71 0.00 0.00 0.00 0.00 0.00 0.00 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 8.22 5.02 0.00 2.41 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 0.00 114 P 0.00 4.43 0.00 2.23 2.03 0.00 3.98 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.98 0.00 * Residues marked with a * may have inaccurate shift predictions.