NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.4792 8.1749 117.3744 63.5622 70.0830 173.1347 2 S 4.5567 9.4812 120.9974 55.2494 66.6174 171.5997 3 I 5.2982 8.1967 118.0386 59.6958 41.1597 173.8383 4 M 4.9074 8.8665 119.6252 54.4289 34.9778 173.1806 5 A 5.1463 8.4154 120.6205 50.3064 22.4415 175.6000 6 V 4.4993 9.0116 122.3413 61.1577 34.5724 175.1166 7 T 4.7167 8.7473 118.3949 61.3780 70.0341 173.5753 8 F 4.9078 8.7511 117.5070 55.3197 41.2470 174.7087 9 K 3.7153 9.0705 121.1168 60.0397 31.5389 176.9370 10 D 4.5810 7.8216 114.1703 53.7330 42.7507 175.6782 11 G 4.2736 5.3800 112.9049 44.4859 0.0000 176.3401 12 V 5.0761 7.9955 118.1663 60.4999 33.8663 172.4754 13 I 4.6622 8.7906 122.3618 59.6176 40.5939 174.3504 14 L 5.1456 8.5657 125.7246 53.1849 43.9815 175.9499 15 G 4.3395 9.0014 108.6149 45.0918 0.0000 171.0673 16 A 5.1225 8.0827 119.8913 50.9712 22.0182 175.9551 17 D 4.7781 8.6503 120.7458 52.3524 41.7285 175.9488 18 S 4.9647 8.3117 110.7522 57.2120 63.8733 173.0865 19 R 5.1637 8.5864 121.0684 55.8350 31.8657 175.0987 20 T 4.7823 8.8149 116.2570 60.0647 71.5015 173.0708 21 T 5.0851 8.6342 115.2536 60.1451 72.2233 174.4494 22 T 4.5248 8.5915 111.9751 60.3295 70.1239 174.9458 23 G 4.0989 8.2518 122.6266 47.0867 0.0000 172.6614 24 A 4.4795 8.6835 127.3265 51.7649 19.6492 176.4783 25 Y 4.4170 7.6417 118.6178 56.5283 39.6643 174.8405 26 I 4.1733 7.2619 127.6673 59.8159 36.4562 175.4219 27 A 4.0685 8.2300 130.0562 54.3768 18.7050 177.7295 28 N 4.8575 7.9608 113.6573 52.2735 41.8157 174.5819 29 R 4.5879 8.6169 120.5829 56.2729 30.3468 176.2168 30 V 4.6062 8.0296 112.4129 61.4765 32.5106 176.2901 31 T 4.0093 8.2913 116.7004 63.8822 69.8933 173.8653 32 D 4.9864 8.6142 124.5327 52.7842 41.9603 175.5982 33 K 4.3795 8.6520 124.0333 56.6351 33.5848 176.1052 34 L 4.9493 8.1010 121.3181 53.7688 42.6373 176.0525 35 T 4.5893 8.8455 121.2048 61.4726 71.8144 173.7207 36 R 3.0962 7.7889 125.8920 55.1854 30.2332 176.2225 37 V 4.1809 7.8287 117.6035 61.8348 33.6738 174.7573 38 H 4.5689 7.7129 117.2870 54.9899 32.5549 173.7155 39 D 4.5542 8.4056 123.2480 57.1132 40.7366 179.5140 40 K 5.0427 8.0506 117.3571 55.9176 33.6336 176.2894 41 I 5.0894 8.5535 121.2931 60.0907 41.1808 174.9702 42 W 5.3072 9.8559 127.2740 54.9193 33.4557 174.1072 43 C 5.2884 9.3432 114.3159 57.3149 33.2414 172.6088 44 C 5.3124 9.2662 117.7972 58.2019 30.2928 173.0740 45 R 5.1205 8.5261 123.0669 54.5706 31.7526 175.8266 46 S 4.5957 8.8828 116.5039 56.6328 66.9085 173.9447 47 G 4.1343 9.0204 105.9433 44.4515 0.0000 175.6456 48 S 4.3030 9.7173 120.7095 57.3350 63.0835 174.6610 49 A 3.9883 8.7970 129.5268 55.1550 18.2725 179.4781 50 A 3.9481 7.9252 118.7948 55.4080 18.5474 179.4666 51 D 4.3261 8.5440 118.0510 57.8179 40.8745 179.2057 52 T 4.0564 8.1651 110.3903 64.7632 68.6250 176.6494 53 Q 3.9591 8.2592 120.6428 58.7671 28.8565 178.4046 54 A 3.9994 8.0337 121.7012 55.2306 18.3148 179.5976 55 I 3.5733 8.2638 118.3603 64.4702 37.2756 178.1838 56 A 4.0032 8.3398 121.6780 55.6657 18.3314 179.2186 57 D 4.3767 8.4256 117.4291 57.8354 40.7969 179.4522 58 I 3.8038 7.6450 120.0218 64.1144 37.0763 178.5934 59 V 3.3729 7.9012 119.5055 65.9712 31.2889 177.5884 60 Q 4.1751 8.3232 120.9634 58.7093 28.7856 177.9352 61 Y 4.0579 7.9085 119.9620 61.1766 38.8494 177.8432 62 H 3.8172 8.4406 117.2380 58.8097 28.7362 177.8114 63 L 4.0348 8.3605 120.9867 57.1834 41.4038 179.1431 64 E 3.9071 8.0888 119.8456 59.1069 29.4604 178.5621 65 L 3.8002 7.6434 120.4929 57.9529 41.9844 178.2018 66 Y 3.8601 8.0781 119.6189 60.9832 38.5354 178.2424 67 T 4.6357 7.8803 116.6589 66.4993 68.6871 176.5445 68 S 4.1554 7.7803 115.5399 61.0001 62.7839 175.9580 69 Q 4.0688 6.9818 119.3246 56.7072 29.3608 176.1166 70 Y 4.4850 7.4966 115.1576 57.6711 39.3784 175.3166 *72 G 4.1616 7.5547 108.9902 45.2982 0.0000 172.1832 73 T 4.2530 8.5460 115.6097 63.4190 68.7079 172.6335 74 P 4.4862 0.0000 0.0000 61.9431 32.7608 176.7018 75 S 4.4240 8.1122 114.9917 58.3281 64.8946 175.4768 76 T 3.9133 8.2941 119.2153 66.6580 68.2678 176.5729 77 E 3.9839 8.1009 120.9608 59.5923 29.7666 178.8957 78 T 3.8289 7.8361 115.6470 66.3480 68.4212 176.6034 79 A 3.9430 7.9255 122.3877 55.1839 18.4929 179.6236 80 A 4.1879 8.2295 119.0702 55.0938 18.2864 179.7747 81 S 4.1135 7.8956 111.6923 61.2617 62.4666 176.5166 82 V 3.5250 7.6156 120.7168 65.7615 31.1846 178.0217 83 F 3.9819 8.1937 117.5965 60.3728 38.7750 177.3236 84 K 3.9351 8.2855 119.1902 59.6098 31.9597 178.0294 85 E 3.9939 8.3896 119.5052 59.5268 29.0034 178.8632 86 L 4.0144 7.8626 118.5919 58.2020 41.5021 179.4494 87 C 4.3108 8.3808 115.7868 62.5508 28.1943 175.2952 88 Y 4.2810 8.5625 121.7509 60.6233 38.3764 177.1796 89 E 3.9387 8.2389 118.4600 58.0253 29.8250 176.7622 90 N 5.0204 7.6167 115.2137 52.4991 39.5045 176.3878 91 K 3.8576 7.6085 121.0996 60.1549 32.6775 177.9865 92 D 4.2854 7.9320 118.8287 57.0832 40.9361 177.4318 *94 N 5.1275 7.8916 113.3019 52.4865 40.1551 173.6855 95 L 5.0946 7.4478 117.0994 53.3923 45.1118 176.8349 96 T 4.6895 8.6900 117.2832 61.4481 70.0203 171.1830 97 A 4.9892 8.3331 124.6940 49.9217 22.6572 175.3104 98 G 4.0800 9.2738 110.8970 43.8803 0.0000 172.0251 99 I 5.0530 8.2956 126.8016 58.9930 40.3840 175.2354 100 I 4.3407 8.3810 127.1756 59.5256 39.4218 174.5768 101 V 4.6139 8.2764 126.8961 61.2037 33.1671 174.7491 102 A 4.7938 9.2870 129.2884 50.3472 22.2808 175.0075 103 G 4.5758 8.7022 107.7295 44.7328 0.0000 171.0264 104 Y 4.7357 8.9410 122.5306 55.4408 40.6517 175.2628 105 D 4.2317 7.7147 124.7834 54.1863 41.5613 175.2196 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 T 8.17 4.48 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 1.26 0.00 0.00 2 S 9.48 4.56 0.00 3.70 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 3 I 8.20 5.30 1.88 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 1.40 0.64 0.92 0.00 0.00 4 M 8.87 4.91 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.48 0.00 5 A 8.42 5.15 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 6 V 9.01 4.50 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 1.10 0.00 0.00 0.93 0.00 0.00 7 T 8.75 4.72 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 8 F 8.75 4.91 0.00 3.26 3.12 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 9 K 9.07 3.72 0.00 1.81 2.05 0.00 1.80 0.00 0.00 1.77 0.00 0.00 2.80 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.43 1.52 7.81 10 D 7.82 4.58 0.00 2.49 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 0.00 0.00 0.00 0.00 11 G 5.38 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 0.00 0.00 0.00 0.00 12 V 8.00 5.08 2.16 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 0.76 0.00 0.00 1.04 0.00 0.00 13 I 8.79 4.66 1.81 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.76 0.82 0.00 0.00 14 L 8.57 5.15 0.00 1.44 1.58 0.91 0.97 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 15 G 9.00 4.34 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 0.00 0.00 0.00 16 A 8.08 5.12 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 17 D 8.65 4.78 0.00 2.71 2.71 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 18 S 8.31 4.96 0.00 3.95 4.05 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 19 R 8.59 5.16 0.00 1.79 2.04 0.00 3.17 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.49 0.00 20 T 8.81 4.78 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 1.21 0.00 0.00 21 T 8.63 5.09 4.45 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 1.18 0.00 0.00 22 T 8.59 4.52 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 1.27 0.00 0.00 23 G 8.25 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 0.00 0.00 0.00 0.00 24 A 8.68 4.48 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 25 Y 7.64 4.42 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 26 I 7.26 4.17 1.52 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 1.19 0.52 0.79 0.00 0.00 27 A 8.23 4.07 1.33 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 0.00 0.00 0.00 28 N 7.96 4.86 0.00 2.77 2.59 0.00 0.00 6.82 7.53 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 29 R 8.62 4.59 0.00 1.90 1.93 0.00 3.00 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.60 0.00 30 V 8.03 4.61 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 0.70 0.00 0.00 1.02 0.00 0.00 31 T 8.29 4.01 4.31 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 1.23 0.00 0.00 32 D 8.61 4.99 0.00 2.70 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 33 K 8.65 4.38 0.00 1.78 1.98 0.00 1.79 0.00 0.00 1.83 0.00 0.00 2.85 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.49 7.81 34 L 8.10 4.95 0.00 1.89 1.87 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 35 T 8.85 4.59 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 1.16 0.00 0.00 36 R 7.79 3.10 0.00 0.67 1.13 0.00 3.09 0.00 0.00 2.96 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.50 0.00 37 V 7.83 4.18 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 0.97 0.00 0.00 1.11 0.00 0.00 38 H 7.71 4.57 0.00 3.14 3.14 0.00 5.91 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.41 4.55 0.00 2.68 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 40 K 8.05 5.04 0.00 1.83 1.97 0.00 1.80 0.00 0.00 2.13 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.56 1.57 7.81 41 I 8.55 5.09 2.00 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 1.33 0.82 1.03 0.00 0.00 42 W 9.86 5.31 0.00 3.18 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 43 C 9.34 5.29 0.00 2.77 2.83 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 44 C 9.27 5.31 0.00 2.81 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 R 8.53 5.12 0.00 1.73 1.86 0.00 3.18 0.00 0.00 3.35 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 46 S 8.88 4.60 0.00 3.86 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 47 G 9.02 4.13 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 0.00 0.00 0.00 48 S 9.72 4.30 0.00 3.84 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 49 A 8.80 3.99 1.34 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 0.00 0.00 50 A 7.93 3.95 1.33 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 0.00 0.00 0.00 51 D 8.54 4.33 0.00 2.69 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 52 T 8.17 4.06 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 1.29 0.00 0.00 53 Q 8.26 3.96 0.00 2.38 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.40 2.51 0.00 54 A 8.03 4.00 1.39 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 0.00 0.00 0.00 55 I 8.26 3.57 2.15 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.07 1.03 0.00 0.00 56 A 8.34 4.00 1.49 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 57 D 8.43 4.38 0.00 2.88 2.73 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 58 I 7.64 3.80 1.99 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.89 1.01 0.00 0.00 59 V 7.90 3.37 1.70 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 0.54 0.00 0.00 -0.14 0.00 0.00 60 Q 8.32 4.18 0.00 2.06 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.22 0.00 61 Y 7.91 4.06 0.00 3.11 3.18 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 62 H 8.44 3.82 0.00 3.30 3.27 0.00 5.67 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.36 4.03 0.00 1.59 1.57 0.87 0.50 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 64 E 8.09 3.91 0.00 2.10 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 2.25 2.29 0.00 65 L 7.64 3.80 0.00 1.35 1.49 0.79 0.72 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 66 Y 8.08 3.86 0.00 3.28 3.06 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 0.00 0.00 0.00 67 T 7.88 4.64 4.43 0.00 0.00 0.00 0.00 0.00 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 68 S 7.78 4.16 0.00 3.85 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 69 Q 6.98 4.07 0.00 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 7.10 0.00 0.00 0.00 0.00 0.00 1.99 2.14 0.00 70 Y 7.50 4.48 0.00 2.38 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.55 4.16 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 0.00 73 T 8.55 4.25 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 1.31 0.00 0.00 74 P 0.00 4.49 0.00 1.75 1.17 0.00 3.63 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.64 0.00 75 S 8.11 4.42 0.00 4.04 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 76 T 8.29 3.91 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 1.27 0.00 0.00 77 E 8.10 3.98 0.00 2.01 1.92 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 2.36 2.39 0.00 78 T 7.84 3.83 4.18 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 0.79 0.00 0.00 79 A 7.93 3.94 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.23 4.19 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.90 4.11 0.00 4.02 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 82 V 7.62 3.52 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 0.79 0.00 0.00 0.87 0.00 0.00 83 F 8.19 3.98 0.00 3.31 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 84 K 8.29 3.94 0.00 2.00 2.04 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.67 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.47 1.60 7.81 85 E 8.39 3.99 0.00 2.33 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 2.32 2.45 0.00 86 L 7.86 4.01 0.00 1.97 1.73 0.83 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 87 C 8.38 4.31 0.00 3.04 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 88 Y 8.56 4.28 0.00 2.98 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 89 E 8.24 3.94 0.00 2.36 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 2.37 2.40 0.00 90 N 7.62 5.02 0.00 2.95 2.73 0.00 0.00 6.56 7.56 0.00 0.00 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 7.61 3.86 0.00 1.78 2.10 0.00 1.47 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.37 1.34 7.81 92 D 7.93 4.29 0.00 2.73 2.73 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 *94 N 7.89 5.13 0.00 2.73 2.89 0.00 0.00 7.07 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 95 L 7.45 5.09 0.00 1.73 1.55 0.98 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 96 T 8.69 4.69 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 1.22 0.00 0.00 97 A 8.33 4.99 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 98 G 9.27 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 0.00 0.00 0.00 99 I 8.30 5.05 1.73 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.73 0.36 0.00 0.00 100 I 8.38 4.34 1.84 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.69 0.89 0.00 0.00 101 V 8.28 4.61 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 0.87 0.00 0.00 0.44 0.00 0.00 102 A 9.29 4.79 1.24 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 0.00 0.00 103 G 8.70 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.94 4.74 0.00 2.97 2.91 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 0.00 105 D 7.71 4.23 0.00 2.45 2.22 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 * Residues marked with a * may have inaccurate shift predictions.