NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.2774 8.1927 115.4128 58.0255 64.2685 172.7175 3 V 3.7296 8.3161 124.2144 62.3138 30.6184 173.4717 4 Q 4.6556 9.1007 126.5220 55.3941 32.4768 175.1821 5 V 4.8744 7.9443 119.4353 60.8466 34.9120 174.1435 6 G 4.5795 9.0917 115.1632 44.0193 0.0000 172.3464 7 V 5.0365 9.2102 127.5400 61.2598 33.7030 174.6194 8 I 5.6642 8.3673 121.2743 58.1071 40.8665 175.9668 *10 G 4.1081 8.6926 107.6990 46.7083 0.0000 173.2164 11 S 4.7721 7.9799 112.8554 55.7217 66.1501 175.6213 12 K 4.0705 8.6458 120.9587 59.4096 31.4851 179.3874 13 S 4.3123 8.0164 112.8539 60.5979 63.3982 175.3172 14 D 4.5660 8.2302 122.4244 55.8223 40.4389 177.9244 15 W 4.5834 8.1880 129.5107 60.5645 30.7311 177.5690 16 S 4.0955 8.1498 112.8632 61.3281 62.6389 174.8730 17 T 4.1368 7.5729 117.9976 63.7511 68.3155 176.0818 *19 K 2.8788 7.9613 125.1131 55.8962 33.7110 177.7640 20 E 3.8332 7.6742 118.1546 58.9786 29.2339 178.4639 21 C 4.0282 7.8709 118.3889 62.9862 31.5586 175.4831 22 C 3.5888 7.7378 117.4325 62.5646 27.6820 175.5735 23 D 4.3732 8.0558 120.5686 57.5825 40.3490 179.0738 24 I 3.6839 7.3697 120.0946 64.1323 37.0116 178.4217 25 L 3.8551 7.5316 119.8126 57.8184 41.4378 179.1327 26 D 4.5096 8.3935 119.0901 57.7678 40.6265 178.7806 27 N 4.4239 8.0957 115.3287 56.2157 38.6419 176.6694 28 L 4.3910 7.9985 117.3169 54.2356 41.7652 177.1330 29 G 3.9256 7.8778 106.8068 46.5733 0.0000 173.4625 30 I 4.3767 7.8327 120.5264 59.2849 38.6483 176.2608 31 G 4.1236 8.9724 114.5100 45.9621 0.0000 171.9271 32 Y 5.5524 7.9832 120.8670 55.7635 41.4701 173.3622 33 E 4.8841 9.3040 117.4425 54.5175 33.1309 174.4574 34 C 6.0122 8.5543 115.2717 55.8440 32.6680 172.7277 35 E 4.6264 8.4042 120.8361 54.9837 33.0055 173.5760 36 V 4.1976 8.2313 126.5321 62.2520 32.5019 175.4014 37 V 4.2408 8.1360 127.1714 61.5541 34.7980 173.4647 38 S 4.6700 8.8393 123.4944 56.3268 63.4373 174.8636 39 A 4.0631 8.6106 130.8760 55.0712 18.5593 177.7947 40 H 4.7047 8.0131 111.4686 57.7140 29.7180 176.5963 41 R 4.2705 8.1836 117.3598 57.5495 30.9364 176.7346 42 T 4.7377 7.8090 107.5600 59.7829 68.5552 173.4297 43 P 4.4049 0.0000 0.0000 66.6401 32.3553 178.1612 44 D 4.3599 8.0875 118.6250 57.1119 41.1473 179.4931 45 K 4.1885 7.4661 119.1614 56.7203 31.7939 178.4784 *47 F 4.7337 8.2673 117.0772 57.2498 41.1432 176.8491 48 D 4.5347 8.7560 119.8088 57.6283 40.6207 177.5506 49 Y 3.9209 8.6528 119.9719 60.7309 38.5690 178.0349 50 A 4.0924 8.1465 119.5149 55.3155 18.6662 178.7549 51 E 4.0179 8.1954 116.2222 59.5271 29.9435 179.0791 52 T 4.6820 7.9988 108.6352 61.3495 69.4051 176.3496 53 A 3.7168 7.3584 125.0369 55.3595 18.3515 179.3029 54 K 3.7929 7.9486 117.2231 59.6908 32.3217 178.5123 55 E 4.1100 8.0810 116.3538 58.4107 29.5005 177.8390 56 R 4.3758 7.7109 117.7924 56.2039 30.4833 177.0188 57 G 3.9681 7.9359 107.7810 44.9165 0.0000 174.1316 58 L 4.2401 7.4522 119.4780 54.6996 42.1397 176.8680 59 K 4.6042 8.8835 120.5216 56.7511 34.7327 176.6854 60 V 4.7636 7.6734 118.1021 61.2379 35.6637 173.6492 61 I 5.0634 8.4404 126.2085 59.6317 40.5160 174.3628 62 I 4.9779 8.9519 127.9791 59.5665 39.3404 174.4111 63 A 5.2097 9.2662 129.5539 49.9814 21.6472 174.9530 64 G 4.4965 8.5222 109.3745 44.6449 0.0000 172.4018 65 A 4.6414 8.4078 121.5735 50.9105 23.1902 175.4514 66 G 4.2544 8.5789 106.3717 44.3315 0.0000 175.3434 67 G 4.1559 8.9729 107.9187 45.6227 0.0000 176.9352 68 A 4.2410 8.4711 121.7779 52.0455 15.8275 175.3635 69 A 4.3609 8.0223 122.1372 51.5687 18.3233 177.0987 70 H 4.8727 8.3107 118.2178 56.6986 30.5267 177.2968 71 L 3.9889 8.1099 121.0971 57.7534 42.3246 176.1056 72 P 4.4307 0.0000 0.0000 65.7450 31.5300 178.9801 73 G 3.6591 7.6517 105.2367 46.0567 0.0000 175.7023 *75 V 3.9112 8.0341 120.4364 62.4828 33.1924 177.2314 76 A 3.9310 7.9859 122.1783 55.1832 18.2514 179.2339 77 A 3.9805 7.9247 117.2605 54.0111 18.4955 178.0966 78 K 4.3712 7.9948 113.3433 55.9903 33.2806 175.7930 79 T 4.6663 7.3326 112.5229 60.4463 70.3702 173.7565 80 T 4.2250 8.3620 115.3378 62.6408 69.6711 175.3257 81 L 4.1865 7.4551 122.6189 53.7917 42.3130 174.9638 82 P 4.4882 0.0000 0.0000 63.0453 32.8285 175.0462 83 V 4.8404 8.4963 122.4286 61.1096 34.6539 173.6647 84 L 5.2388 9.2571 128.0760 53.0780 44.2706 175.4279 85 G 4.4021 9.6193 111.4767 44.3863 0.0000 172.2124 86 V 4.6007 8.7229 125.3488 60.5104 34.0119 172.7195 87 P 4.9852 0.0000 0.0000 62.0219 32.4852 175.6208 88 V 4.1580 8.3838 125.8512 61.5187 32.5285 175.4514 89 K 3.9088 8.7399 128.9174 56.6243 32.1440 176.3607 90 S 4.4534 8.5569 121.8720 57.7010 64.0512 175.5438 91 S 4.1373 8.6345 117.7676 61.5715 63.2737 175.8385 92 T 4.0811 8.0076 110.0750 64.0068 69.2470 175.7227 93 L 4.5768 7.7909 120.6395 53.1706 42.0264 176.2762 94 N 4.2709 8.8069 114.2264 54.4304 36.6417 175.4935 95 G 3.9682 8.4533 104.2912 46.4131 0.0000 176.4672 96 Q 3.9775 8.2613 120.9848 58.5775 28.6330 178.2388 97 D 4.3156 8.0377 119.6959 56.7282 39.5012 178.4435 98 S 4.3034 8.0726 118.1121 60.2097 62.7800 176.4669 99 L 4.0356 8.1475 122.8204 58.3432 41.7825 179.0978 100 L 3.9927 7.8688 118.7902 57.8192 41.3116 179.6130 101 S 4.2562 8.1557 114.0362 60.5101 62.7314 175.8500 102 I 4.2140 7.0364 120.3324 63.3432 37.9361 178.0784 103 V 3.8265 7.6318 119.8906 62.9334 31.7148 176.8495 104 Q 3.9781 7.2416 118.5929 54.8427 28.9348 173.7530 *106 P 4.1319 0.0000 0.0000 61.5421 32.6884 175.5841 107 A 4.0897 8.4375 122.1198 53.2562 18.6711 176.2164 108 G 3.6140 8.3180 114.7090 45.4528 0.0000 174.0622 109 I 4.4001 7.0084 123.1163 58.3099 38.6869 173.2330 110 P 4.4959 0.0000 0.0000 62.0354 32.3396 176.2416 111 V 4.4826 7.9507 118.9254 60.8676 34.1389 174.7677 112 A 3.9337 8.6232 130.7632 52.3651 18.7865 176.0054 113 T 4.8157 8.0348 119.2077 61.9619 71.4967 173.7917 114 F 4.7979 8.2991 122.8708 54.9426 42.8601 174.8497 115 A 4.1972 8.6170 121.6118 52.0496 18.7687 177.0984 116 I 4.0946 8.0714 121.1654 62.5828 37.8428 175.0203 117 G 3.5740 9.0502 117.9645 46.1348 0.0000 175.1584 *119 A 4.2307 8.2882 119.8198 51.5704 21.4816 179.9547 120 G 4.1993 8.2807 103.1487 47.1851 0.0000 175.5146 121 A 3.8981 7.9554 123.1532 54.9541 18.5181 179.6850 122 K 3.7796 7.9437 116.2398 59.9695 32.2154 179.2588 123 N 4.2692 8.2457 116.1447 55.8146 38.2708 177.3428 124 A 2.8697 7.9580 122.6185 54.6994 18.4024 179.4966 125 A 3.7852 7.4192 119.2129 55.3781 18.5729 179.9460 126 L 3.7115 7.5653 117.2453 57.6635 41.6986 179.5948 127 F 3.9178 8.5561 121.0055 61.0084 39.3103 177.0845 128 A 4.0149 8.4108 120.6732 55.1360 18.1400 179.4363 129 A 3.8942 8.0737 119.5344 55.2354 18.1896 179.9722 130 S 4.0539 7.4852 111.5073 61.0192 63.2514 176.7060 131 I 3.7462 7.2025 123.5846 64.4035 37.0947 178.3035 132 L 4.0163 8.0419 119.7880 57.2576 41.2679 179.2916 133 Q 4.0109 8.0121 118.1111 59.6320 28.0332 178.3796 134 H 4.2298 7.7597 119.0561 58.1660 29.8785 175.7294 135 T 4.3746 7.5479 107.4265 60.8224 69.2465 173.9369 136 D 4.5769 7.8286 121.4246 51.8818 43.4228 175.4940 137 I 3.6821 8.3104 128.6557 64.8055 37.3020 178.1116 138 N 4.3740 8.1851 116.3579 56.0706 38.3508 177.5566 139 I 3.7372 7.9349 120.9113 64.0063 37.2448 177.8517 140 A 3.9792 8.0364 121.7561 55.3485 18.1765 179.7325 141 K 3.8688 8.2286 116.4839 59.8047 32.1381 179.5330 142 A 4.0813 8.1155 120.8365 54.8187 18.2475 179.5297 143 L 3.8747 8.1876 118.9601 58.0139 42.1282 178.6913 144 A 4.0076 8.0393 120.8318 55.3945 18.2338 179.2297 145 E 3.8647 8.2484 117.5129 59.3133 29.7147 178.5023 146 F 4.0002 8.4454 120.8080 61.6827 39.5208 177.4436 147 R 4.0633 8.3867 117.2596 59.1269 29.7932 178.8846 148 A 4.0110 8.2941 120.8629 55.2105 18.3540 179.3616 149 E 3.8666 8.5239 118.4517 59.2281 29.2316 178.9887 150 Q 3.9494 7.9697 117.9266 59.2889 28.7141 178.6411 151 T 3.9384 7.8452 117.4700 66.4963 68.4318 176.9207 152 R 3.9144 8.2051 120.1600 59.1505 29.8692 178.6220 153 F 4.2784 8.1277 119.4421 61.6361 39.4934 177.1503 154 V 3.4630 7.4932 116.3656 65.7993 31.1037 177.9689 155 L 3.9691 7.6760 117.8794 57.7712 41.5456 178.9095 156 E 4.1753 8.2373 116.8806 57.3524 30.8149 176.5836 157 N 5.2231 7.1721 115.1869 51.3439 38.7634 172.8987 158 P 4.1479 0.0000 0.0000 64.6047 32.5655 176.4574 159 D 4.6360 8.0663 119.6006 51.5958 40.5402 174.8732 160 P 4.2849 0.0000 0.0000 65.0248 31.4050 177.6245 161 R 4.1620 8.0391 117.0735 56.9249 30.2661 176.6120 162 E 3.9873 7.8076 118.6192 57.3993 30.1071 176.9177 163 H 4.4290 8.2212 116.1818 56.1111 28.3240 173.2306 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 S 8.19 4.28 0.00 4.02 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 3 V 8.32 3.73 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 0.81 0.00 0.00 0.89 0.00 0.00 4 Q 9.10 4.66 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.53 0.00 0.00 0.00 0.00 0.00 2.28 2.46 0.00 5 V 7.94 4.87 2.20 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 1.09 0.00 0.00 0.97 0.00 0.00 6 G 9.09 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 7 V 9.21 5.04 2.24 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 1.10 0.00 0.00 0.95 0.00 0.00 8 I 8.37 5.66 1.65 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.02 0.36 0.00 0.00 *10 G 8.69 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 0.00 0.00 0.00 11 S 7.98 4.77 0.00 3.95 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 12 K 8.65 4.07 0.00 1.82 1.92 0.00 1.63 0.00 0.00 1.81 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.46 7.81 13 S 8.02 4.31 0.00 4.05 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 0.00 14 D 8.23 4.57 0.00 2.92 2.80 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 15 W 8.19 4.58 0.00 3.31 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 16 S 8.15 4.10 0.00 4.01 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 17 T 7.57 4.14 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 1.18 0.00 0.00 *19 K 7.96 2.88 0.00 0.79 1.04 0.00 1.26 0.00 0.00 1.56 0.00 0.00 2.98 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.15 0.94 7.81 20 E 7.67 3.83 0.00 2.03 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 2.15 2.35 0.00 21 C 7.87 4.03 0.00 2.91 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 22 C 7.74 3.59 0.00 3.11 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 23 D 8.06 4.37 0.00 2.75 2.68 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 24 I 7.37 3.68 1.86 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 1.52 0.69 0.63 0.00 0.00 25 L 7.53 3.86 0.00 1.34 1.53 0.58 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 26 D 8.39 4.51 0.00 2.90 2.80 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 27 N 8.10 4.42 0.00 2.87 2.95 0.00 0.00 7.17 7.46 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 28 L 8.00 4.39 0.00 1.56 1.66 0.69 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 29 G 7.88 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 0.00 0.00 0.00 30 I 7.83 4.38 2.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.80 0.96 0.00 0.00 31 G 8.97 4.12 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 0.00 0.00 0.00 32 Y 7.98 5.55 0.00 3.13 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 33 E 9.30 4.88 0.00 2.08 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 2.29 2.39 0.00 34 C 8.55 6.01 0.00 3.09 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 35 E 8.40 4.63 0.00 2.02 1.64 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 2.17 2.26 0.00 36 V 8.23 4.20 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 0.80 0.00 0.00 0.86 0.00 0.00 37 V 8.14 4.24 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 0.85 0.00 0.00 0.62 0.00 0.00 38 S 8.84 4.67 0.00 4.07 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 39 A 8.61 4.06 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 40 H 8.01 4.70 0.00 3.15 3.34 0.00 5.71 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 41 R 8.18 4.27 0.00 1.79 1.98 0.00 3.10 0.00 0.00 3.28 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 42 T 7.81 4.74 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 1.20 0.00 0.00 43 P 0.00 4.40 0.00 1.99 2.28 0.00 3.73 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.93 0.00 44 D 8.09 4.36 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 45 K 7.47 4.19 0.00 1.80 1.93 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.46 1.50 7.81 *47 F 8.27 4.73 0.00 3.25 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 48 D 8.76 4.53 0.00 2.90 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 49 Y 8.65 3.92 0.00 3.14 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 50 A 8.15 4.09 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 E 8.20 4.02 0.00 2.24 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 0.00 2.33 2.27 0.00 52 T 8.00 4.68 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 1.23 0.00 0.00 53 A 7.36 3.72 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 54 K 7.95 3.79 0.00 1.81 1.79 0.00 1.71 0.00 0.00 1.85 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.49 7.81 55 E 8.08 4.11 0.00 2.21 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 0.00 2.48 2.36 0.00 56 R 7.71 4.38 0.00 1.85 1.93 0.00 3.06 0.00 0.00 3.16 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.75 0.00 57 G 7.94 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 0.00 0.00 0.00 58 L 7.45 4.24 0.00 1.78 1.62 0.87 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 59 K 8.88 4.60 0.00 1.57 1.83 0.00 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0.00 77 A 7.92 3.98 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 78 K 7.99 4.37 0.00 1.57 1.53 0.00 1.29 0.00 0.00 0.75 0.00 0.00 2.49 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.62 0.21 7.81 79 T 7.33 4.67 4.40 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 1.30 0.00 0.00 80 T 8.36 4.23 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 1.20 0.00 0.00 81 L 7.46 4.19 0.00 1.72 1.67 0.98 0.87 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 82 P 0.00 4.49 0.00 2.22 2.26 0.00 3.83 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.02 0.00 83 V 8.50 4.84 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 1.13 0.00 0.00 1.01 0.00 0.00 84 L 9.26 5.24 0.00 1.66 1.75 1.08 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 85 G 9.62 4.40 0.00 0.00 0.00 0.00 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0.00 0.00 137 I 8.31 3.68 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 1.62 0.68 0.90 0.00 0.00 138 N 8.19 4.37 0.00 2.73 2.87 0.00 0.00 7.10 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 0.00 139 I 7.93 3.74 1.98 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 1.45 0.59 0.91 0.00 0.00 140 A 8.04 3.98 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 K 8.23 3.87 0.00 1.99 1.89 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.47 7.81 142 A 8.12 4.08 1.38 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 0.00 0.00 143 L 8.19 3.87 0.00 1.79 1.84 0.81 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 144 A 8.04 4.01 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 0.00 0.00 145 E 8.25 3.86 0.00 2.24 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 0.00 2.33 2.39 0.00 146 F 8.45 4.00 0.00 3.20 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 0.00 147 R 8.39 4.06 0.00 2.22 2.04 0.00 3.24 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 1.80 1.88 0.00 148 A 8.29 4.01 1.38 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 0.00 0.00 149 E 8.52 3.87 0.00 2.01 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 2.20 2.15 0.00 150 Q 7.97 3.95 0.00 2.23 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.59 0.00 0.00 0.00 0.00 0.00 2.51 2.40 0.00 151 T 7.85 3.94 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 1.22 0.00 0.00 152 R 8.21 3.91 0.00 2.02 2.01 0.00 3.15 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 153 F 8.13 4.28 0.00 3.06 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 0.00 154 V 7.49 3.46 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 0.91 0.00 0.00 0.99 0.00 0.00 155 L 7.68 3.97 0.00 1.78 1.69 0.91 0.95 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 0.00 156 E 8.24 4.18 0.00 2.01 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 2.33 2.46 0.00 157 N 7.17 5.22 0.00 2.16 2.53 0.00 0.00 6.99 9.28 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 0.00 158 P 0.00 4.15 0.00 2.13 2.12 0.00 3.86 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.90 0.00 159 D 8.07 4.64 0.00 2.68 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 0.00 160 P 0.00 4.28 0.00 2.20 2.15 0.00 3.79 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 161 R 8.04 4.16 0.00 1.96 2.04 0.00 3.20 0.00 0.00 3.23 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.60 0.00 162 E 7.81 3.99 0.00 1.94 1.88 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 2.31 2.32 0.00 163 H 8.22 4.43 0.00 3.17 3.22 0.00 5.75 0.00 0.00 0.00 0.00 6.91 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.