NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 L 4.2668 8.1731 120.6278 54.7310 43.7473 177.1052 4 G 3.7429 7.9614 105.9532 44.2519 0.0000 171.7902 5 F 3.9591 8.7688 122.4091 59.3863 40.5687 171.0002 6 G 3.1926 7.8807 120.1340 45.7021 0.0000 172.7187 *10 E 4.0321 8.3755 124.9699 55.2326 31.4609 175.6508 11 L 4.0897 8.3434 127.7230 58.4813 42.3306 178.7447 12 Q 4.0151 8.1256 119.0067 59.3559 28.8902 177.9714 13 Q 3.9657 8.5335 120.5586 58.9868 28.9946 177.8532 14 F 4.0562 8.0021 120.4518 61.3999 39.4363 177.1731 15 L 4.0645 8.1905 118.5249 57.9371 41.4224 179.2296 16 D 4.3364 8.5289 119.0194 57.2431 40.7246 178.7725 17 A 3.9164 8.2068 121.6219 54.9222 18.1627 179.3642 18 L 3.7344 7.6432 117.9313 58.2516 42.1689 178.8391 19 A 4.1204 7.9175 119.7967 54.8568 18.3418 179.2626 20 S 4.3354 7.7280 110.8240 60.3045 63.8837 175.0803 21 S 4.6836 8.3833 117.2798 55.9135 63.5084 172.7933 22 P 4.0620 0.0000 0.0000 65.5842 31.8223 178.0559 23 E 4.2214 7.3058 119.2855 56.0663 28.7752 177.1329 *25 I 3.8887 7.5126 118.1144 61.1873 38.8249 175.3144 26 E 4.7871 8.3496 124.8177 53.8210 32.2486 176.0889 27 F 4.1318 9.0073 125.6622 61.5006 39.6460 176.3532 28 E 4.1314 8.4626 118.4812 59.8222 29.7380 178.4930 29 T 3.9830 8.0167 114.9695 67.1099 68.8864 177.4785 30 T 3.2928 7.7551 114.9035 64.0235 68.1173 175.8865 *32 A 4.1017 8.1423 126.2828 52.2357 20.7309 180.0848 33 V 3.3629 7.4806 115.0526 66.0100 31.4796 178.3533 34 I 3.7746 7.2251 119.4255 64.2625 36.6934 177.8318 35 E 3.8839 7.8921 118.2756 59.6872 29.5176 178.3327 36 D 4.4298 8.1921 117.4800 56.3808 40.9574 177.4190 37 N 4.5722 7.7488 113.9052 52.4507 39.9432 174.1282 38 Y 5.0700 7.1543 116.3731 56.2485 42.6720 174.3761 39 D 4.8278 9.2588 122.6129 53.5286 42.5940 175.1782 40 F 5.5100 8.8964 125.7962 57.0500 41.5030 174.8007 41 T 4.1873 8.3627 122.4158 60.6656 71.3786 171.7083 42 P 4.2425 0.0000 0.0000 63.1396 32.0065 175.7953 43 A 4.8811 8.4964 123.4555 50.1538 22.4626 175.5708 44 A 4.7056 8.8238 123.5298 52.0410 20.0397 176.4404 45 F 5.2797 8.9480 115.4177 55.8375 41.8256 173.3713 46 T 4.6893 8.7056 110.6077 60.5686 71.8274 173.4835 47 N 4.9161 9.0900 122.3768 53.0014 41.0161 176.9113 48 G 3.8905 9.2076 119.1299 46.7216 0.0000 172.5804 49 N 4.6494 7.9862 121.2312 53.1921 39.1059 174.5850 50 T 4.5470 7.9927 110.1262 59.7805 70.8008 173.2171 51 Q 4.7170 8.3777 122.3460 54.1218 31.6219 174.4283 52 N 4.9874 8.5023 121.6069 51.2155 41.2745 174.3848 53 D 4.9081 9.6098 124.0107 53.5453 42.4791 175.9820 54 A 4.3204 8.4826 123.3013 54.1216 18.7235 178.0494 55 N 4.7206 9.0005 116.9669 53.7255 36.5031 173.6206 56 E 4.5031 8.0875 119.6446 55.4944 31.6863 175.4008 57 N 4.3003 8.8400 122.6855 54.6194 35.7347 175.5838 58 N 4.5814 8.1228 116.7809 56.3208 39.6239 178.5326 59 G 3.6866 8.2835 106.4021 48.8025 0.0000 174.9224 60 S 4.1570 8.3061 116.7364 61.3698 63.2824 176.3004 61 C 4.0240 8.4426 116.5006 60.7459 31.3125 174.8898 *63 I 3.8392 7.8350 120.2724 61.0981 38.7513 177.9665 64 F 4.6844 7.9113 118.7746 60.6350 38.6879 177.5660 65 A 3.6527 8.2165 120.4675 54.9841 18.1970 179.4731 66 F 3.8348 8.1269 118.7965 61.2445 39.4567 177.3100 67 G 3.9465 8.7820 105.8437 47.9886 0.0000 175.6752 68 L 3.5087 7.7764 121.0423 57.3462 41.4356 179.5662 69 L 3.9429 7.6302 117.6452 56.6211 41.4336 177.7456 70 N 4.6521 7.2406 113.5939 52.0500 38.8582 174.1351 71 A 3.6497 7.3226 119.3532 53.0145 16.7016 178.3953 72 L 4.5849 8.0325 119.6557 55.6154 44.5289 175.1402 73 D 4.9327 8.9042 125.3101 54.4179 38.1359 177.9977 *75 E 4.2471 9.3950 117.8380 56.1436 31.7210 177.6144 76 A 4.1239 8.6520 119.7449 55.3327 18.7601 179.6089 77 T 4.1560 8.2990 114.3173 66.9340 68.6467 176.8006 78 L 4.0983 8.1911 120.1845 57.9412 41.5122 179.3314 79 A 4.2749 8.1525 120.5124 55.4160 18.0510 179.4248 80 C 4.2630 7.8707 114.0201 62.6644 28.3543 175.6476 81 F 4.7103 8.6245 118.7991 57.9812 38.8749 176.6111 82 G 3.8934 9.0688 108.8784 46.2076 0.0000 177.2747 83 R 3.7796 9.1717 119.7188 59.1285 28.7509 178.7919 84 F 4.2601 7.5389 118.4142 60.3097 38.7043 176.9306 85 Y 4.2414 8.1187 118.7634 60.9284 38.7317 177.6942 86 R 3.4860 8.2111 117.8600 58.6118 30.5100 177.0664 87 E 4.4075 8.2286 116.5509 57.9077 30.8993 177.7914 88 D 4.4488 7.9337 119.2795 57.4271 41.4813 178.6811 89 V 3.9606 7.5141 118.2154 65.3581 31.7197 177.9923 90 L 3.9087 7.7419 117.7025 57.5922 41.5410 178.4933 91 L 4.2386 7.5392 115.4705 55.8625 42.6058 176.7825 92 H 4.9215 7.9362 116.0329 53.2659 29.0313 172.3335 93 P 4.3730 0.0000 0.0000 65.1226 31.8362 178.2927 94 E 4.1905 8.0500 116.7836 57.5102 29.8966 176.3162 95 N 4.8147 7.6900 116.2064 52.6273 39.5319 174.1158 96 N 5.0221 8.2894 114.9041 52.5473 37.9414 174.3075 97 D 4.4526 8.1696 118.4784 54.0785 41.1236 174.8933 98 H 4.0137 8.4349 113.3374 56.5654 26.2525 176.5555 99 Q 4.0256 7.8320 119.1665 59.2689 28.9614 178.6361 100 N 4.4974 8.1584 117.0853 56.2485 38.4687 177.3689 101 I 3.5178 7.5190 119.8426 64.4170 37.3498 178.1973 102 R 4.1233 7.9254 117.5870 59.3681 30.1496 178.6249 103 N 4.5250 8.5488 116.6385 55.8832 38.8822 177.5417 104 F 4.4570 8.3045 123.5755 57.8201 38.8248 177.2529 *106 V 3.9037 7.6792 117.9604 62.6714 33.0195 175.8849 107 T 4.1968 7.8938 106.8462 60.5258 70.5983 176.9117 108 G 2.6557 7.3860 112.0249 45.7950 0.0000 175.2166 109 W 4.7286 8.2586 117.3943 59.6855 29.5126 178.2594 110 E 4.1000 8.3924 117.2109 58.8966 29.1476 177.8005 111 G 3.8779 8.0962 105.7962 45.8312 0.0000 172.6553 112 I 4.9288 7.5879 121.5803 59.8818 38.9189 175.4227 113 Q 4.4956 8.8116 127.8236 54.9481 32.1302 173.3130 114 F 4.9681 9.0517 125.6521 56.8274 39.8339 176.1638 115 E 4.4474 9.3146 123.1656 58.9351 29.9727 177.0260 116 T 4.7037 7.8272 106.6548 59.6124 72.0823 172.8728 117 S 4.1205 8.4947 116.8726 57.9154 62.9941 173.7203 118 A 4.8849 8.0995 129.0226 52.8164 19.9957 176.6223 119 L 5.3165 7.6695 114.1660 53.3253 45.3385 176.2880 120 T 4.7540 8.7860 119.5441 61.1424 71.8780 174.3711 121 A 4.1286 8.8542 127.4489 52.6277 18.3868 177.1241 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 3 L 8.17 4.27 0.00 1.66 1.80 0.93 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 4 G 7.96 3.74 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 0.00 0.00 0.00 5 F 8.77 3.96 0.00 2.95 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 6 G 7.88 3.19 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 0.00 *10 E 8.38 4.03 0.00 2.07 1.90 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 2.28 2.37 0.00 11 L 8.34 4.09 0.00 1.96 1.66 1.25 0.63 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 12 Q 8.13 4.02 0.00 2.22 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.68 0.00 0.00 0.00 0.00 0.00 2.44 2.65 0.00 13 Q 8.53 3.97 0.00 2.36 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 14 F 8.00 4.06 0.00 3.29 3.33 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 15 L 8.19 4.06 0.00 1.98 1.76 1.02 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 16 D 8.53 4.34 0.00 2.81 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 17 A 8.21 3.92 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 18 L 7.64 3.73 0.00 1.14 1.76 0.91 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 19 A 7.92 4.12 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 20 S 7.73 4.34 0.00 3.95 3.86 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 21 S 8.38 4.68 0.00 3.78 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 22 P 0.00 4.06 0.00 2.23 2.32 0.00 3.77 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 23 E 7.31 4.22 0.00 1.82 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 2.38 2.32 0.00 *25 I 7.51 3.89 2.02 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 1.19 0.55 1.01 0.00 0.00 26 E 8.35 4.79 0.00 2.04 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 2.28 2.56 0.00 27 F 9.01 4.13 0.00 3.21 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 28 E 8.46 4.13 0.00 2.02 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 2.38 2.50 0.00 29 T 8.02 3.98 4.53 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 1.43 0.00 0.00 30 T 7.76 3.29 3.91 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 0.63 0.00 0.00 *32 A 8.14 4.10 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 33 V 7.48 3.36 1.05 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 0.71 0.00 0.00 0.61 0.00 0.00 34 I 7.23 3.77 1.52 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.20 0.75 0.00 0.00 35 E 7.89 3.88 0.00 1.83 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 2.24 2.42 0.00 36 D 8.19 4.43 0.00 2.61 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 37 N 7.75 4.57 0.00 2.60 2.14 0.00 0.00 6.77 7.13 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 38 Y 7.15 5.07 0.00 3.00 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 39 D 9.26 4.83 0.00 2.63 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 40 F 8.90 5.51 0.00 2.94 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 41 T 8.36 4.19 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 1.08 0.00 0.00 42 P 0.00 4.24 0.00 1.86 2.09 0.00 3.38 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 43 A 8.50 4.88 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 44 A 8.82 4.71 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 45 F 8.95 5.28 0.00 2.55 2.45 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 0.00 46 T 8.71 4.69 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 1.15 0.00 0.00 47 N 9.09 4.92 0.00 2.90 2.64 0.00 0.00 7.32 8.01 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 48 G 9.21 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 49 N 7.99 4.65 0.00 2.85 2.84 0.00 0.00 6.90 6.87 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 50 T 7.99 4.55 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 1.19 0.00 0.00 51 Q 8.38 4.72 0.00 1.84 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.74 0.00 0.00 0.00 0.00 0.00 2.17 2.28 0.00 52 N 8.50 4.99 0.00 1.79 2.49 0.00 0.00 6.65 7.65 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 53 D 9.61 4.91 0.00 2.63 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 54 A 8.48 4.32 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 55 N 9.00 4.72 0.00 2.96 3.08 0.00 0.00 7.11 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 56 E 8.09 4.50 0.00 1.96 2.15 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 2.25 2.27 0.00 57 N 8.84 4.30 0.00 3.08 3.01 0.00 0.00 7.16 6.92 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 58 N 8.12 4.58 0.00 2.79 2.76 0.00 0.00 6.86 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 59 G 8.28 3.69 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 0.00 0.00 0.00 60 S 8.31 4.16 0.00 4.36 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 0.00 61 C 8.44 4.02 0.00 3.50 3.33 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 *63 I 7.83 3.84 0.95 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.02 0.24 0.00 0.00 64 F 7.91 4.68 0.00 3.17 3.34 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 65 A 8.22 3.65 1.02 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 0.00 0.00 66 F 8.13 3.83 0.00 2.87 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 67 G 8.78 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 68 L 7.78 3.51 0.00 1.61 1.40 0.94 -0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 69 L 7.63 3.94 0.00 1.32 1.61 0.77 0.66 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 70 N 7.24 4.65 0.00 2.29 2.57 0.00 0.00 6.99 7.16 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 71 A 7.32 3.65 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 72 L 8.03 4.58 0.00 1.92 1.83 1.16 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 73 D 8.90 4.93 0.00 3.06 2.38 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.39 4.25 0.00 2.19 2.15 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 2.35 2.41 0.00 76 A 8.65 4.12 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 T 8.30 4.16 4.49 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 1.20 0.00 0.00 78 L 8.19 4.10 0.00 1.44 0.13 0.75 0.67 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 79 A 8.15 4.27 1.50 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 0.00 0.00 80 C 7.87 4.26 0.00 3.07 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 81 F 8.62 4.71 0.00 3.44 3.32 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 82 G 9.07 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 83 R 9.17 3.78 0.00 1.83 2.02 0.00 2.49 0.00 0.00 2.91 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.65 0.00 84 F 7.54 4.26 0.00 3.25 2.77 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 85 Y 8.12 4.24 0.00 3.11 3.28 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 86 R 8.21 3.49 0.00 1.76 1.88 0.00 3.20 0.00 0.00 3.25 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.93 0.00 87 E 8.23 4.41 0.00 2.09 1.87 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 2.19 2.24 0.00 88 D 7.93 4.45 0.00 2.95 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 89 V 7.51 3.96 2.29 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 1.12 0.00 0.00 1.02 0.00 0.00 90 L 7.74 3.91 0.00 1.60 1.54 0.40 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 91 L 7.54 4.24 0.00 1.61 1.49 0.86 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 92 H 7.94 4.92 0.00 3.36 3.17 0.00 5.62 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 P 0.00 4.37 0.00 2.17 2.18 0.00 3.74 0.00 0.00 3.62 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 94 E 8.05 4.19 0.00 2.00 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 2.33 0.00 95 N 7.69 4.81 0.00 2.87 2.75 0.00 0.00 6.72 8.12 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 96 N 8.29 5.02 0.00 2.74 2.82 0.00 0.00 6.08 8.06 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 97 D 8.17 4.45 0.00 2.58 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 98 H 8.43 4.01 0.00 3.29 3.25 0.00 5.63 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 Q 7.83 4.03 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.91 0.00 0.00 0.00 0.00 0.00 2.56 2.39 0.00 100 N 8.16 4.50 0.00 2.90 3.32 0.00 0.00 7.17 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 0.00 101 I 7.52 3.52 1.89 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.03 -0.15 0.88 0.00 0.00 102 R 7.93 4.12 0.00 1.80 2.02 0.00 3.23 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.86 0.00 103 N 8.55 4.53 0.00 2.89 3.08 0.00 0.00 6.68 8.56 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 0.00 104 F 8.30 4.46 0.00 3.13 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 *106 V 7.68 3.90 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 0.84 0.00 0.00 0.91 0.00 0.00 107 T 7.89 4.20 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 1.17 0.00 0.00 108 G 7.39 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 0.00 0.00 0.00 109 W 8.26 4.73 0.00 3.44 3.23 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 0.00 110 E 8.39 4.10 0.00 2.11 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 2.39 2.28 0.00 111 G 8.10 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 0.00 112 I 7.59 4.93 2.44 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.97 1.17 0.00 0.00 113 Q 8.81 4.50 0.00 2.16 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.89 0.00 0.00 0.00 0.00 0.00 2.31 2.40 0.00 114 F 9.05 4.97 0.00 3.03 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 0.00 115 E 9.31 4.45 0.00 1.96 2.07 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 2.40 2.33 0.00 116 T 7.83 4.70 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 1.25 0.00 0.00 117 S 8.49 4.12 0.00 3.79 3.76 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 0.00 118 A 8.10 4.88 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 0.00 119 L 7.67 5.32 0.00 1.21 1.26 0.46 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 120 T 8.79 4.75 4.28 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 1.23 0.00 0.00 121 A 8.85 4.13 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 * Residues marked with a * may have inaccurate shift predictions.