NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 H 4.6687 8.3033 117.8349 55.7952 30.8150 174.6398 *5 E 4.2627 8.0936 121.8875 56.4576 31.4650 178.1597 6 A 4.0256 7.7863 120.0060 54.9360 18.4258 179.7553 7 V 3.5394 7.9591 116.9165 65.9686 31.6618 177.9910 8 L 3.9492 7.8858 119.6305 58.1920 42.0210 178.2157 9 N 4.3298 8.3034 116.9652 56.7273 38.7801 176.4342 10 E 3.9571 8.3129 120.9080 59.1815 29.8289 178.7731 11 L 4.0535 8.0272 120.0050 58.7862 40.4506 179.4786 12 V 3.6698 8.0153 119.4715 65.7104 31.4203 178.1396 13 S 4.3871 8.2874 114.1866 61.4210 62.7236 176.8147 14 V 3.5901 7.6889 121.6107 65.7409 31.3412 177.4822 15 E 3.9522 8.1192 118.9459 59.4361 29.4190 178.4881 16 D 4.4425 8.5601 119.0986 57.3963 40.9898 178.4157 17 L 4.1900 8.2440 120.7799 58.4792 42.0907 179.0579 18 L 4.0252 8.1366 118.7884 57.4952 41.5066 179.5102 19 K 3.7322 7.9848 119.5418 59.6478 32.1704 178.9628 20 F 4.4132 8.1684 117.3773 59.6826 38.7717 177.5640 21 E 2.7832 8.2803 119.7987 58.5459 29.3523 178.5627 22 K 3.8484 7.7274 119.3060 59.4075 32.2835 178.6878 23 K 3.9054 7.9677 119.9028 59.3315 32.0965 178.5251 24 F 4.1428 8.3335 120.9810 61.6120 39.3032 177.2252 25 Q 3.8924 8.4196 117.9975 58.8322 27.9183 179.1701 26 S 4.0474 8.3459 116.6398 61.7454 62.4309 176.5955 27 E 3.9569 8.2420 121.2961 59.0701 28.8848 179.3457 28 K 3.8451 7.6902 118.9095 59.4114 32.3093 178.5433 29 A 4.0737 7.6621 119.2392 54.0781 18.3986 178.3810 30 A 4.4718 8.5186 116.4745 53.6017 19.9657 178.0424 31 G 3.7013 7.0254 104.5701 44.7966 0.0000 173.0271 32 S 4.2453 8.1285 118.6481 57.9617 63.9560 174.2368 33 V 3.8914 8.0668 123.6984 62.0970 32.3679 176.4565 34 S 4.4564 8.6299 121.3580 58.1051 64.9731 175.7499 35 K 4.0881 8.6751 122.9851 59.5308 31.7730 179.8278 36 S 4.2329 8.0920 114.1696 62.0162 63.0858 176.6590 37 T 4.4077 7.9860 121.2804 65.5967 68.1094 176.5706 38 Q 4.1660 8.5736 121.7261 59.0816 29.0986 178.0432 39 F 4.0744 8.6104 121.9197 61.4581 39.3831 176.7317 40 E 3.3861 8.3193 118.3200 59.4556 29.0160 178.9725 41 Y 4.2871 7.8604 118.9797 60.7663 38.9316 177.7293 42 A 3.5295 7.9017 121.8827 54.6145 18.1382 179.4196 43 W 3.4031 7.6874 126.5445 60.5764 31.0356 177.7919 44 C 4.2823 8.1044 116.6404 62.6961 27.6392 175.9921 45 L 3.8552 7.8815 120.8268 57.8265 40.9971 179.7000 46 V 3.7177 7.3959 109.9050 62.8119 31.5615 177.5331 47 R 4.2768 6.9487 116.3303 55.0571 30.6576 176.1419 48 T 4.0541 6.7745 113.8582 61.7606 67.9246 174.1504 49 R 3.9722 8.1661 123.8806 57.4051 30.8651 176.1062 50 Y 4.7071 7.3445 116.5007 56.8561 40.1493 176.1747 51 N 4.3634 8.8542 122.4950 56.4317 38.7726 177.2268 52 D 4.3884 8.1227 120.0929 56.3841 39.4866 178.3383 53 D 4.2659 8.0375 119.9846 57.1406 40.9006 178.4339 54 I 3.7157 7.5530 119.8497 64.5609 37.1239 178.7389 55 R 3.8561 8.0161 118.7989 59.0047 29.8068 179.1000 56 K 3.9793 7.9536 119.6670 59.3184 32.1952 179.1443 57 G 3.3443 8.2750 106.4784 47.7231 0.0000 175.7303 58 I 3.6516 7.8347 122.3585 64.0641 37.0997 178.7142 59 V 3.7458 7.7343 119.0640 66.0255 31.4546 178.0872 60 L 3.9606 7.9511 118.7695 57.7356 41.5262 179.5220 61 L 3.8310 7.8655 118.9655 57.8046 41.3221 179.4546 62 E 4.0730 8.0499 117.5669 59.2871 29.4156 178.9323 63 E 4.1403 7.8627 118.1733 59.1706 29.8040 178.9236 64 L 4.0808 7.6201 118.6275 56.8746 41.4247 178.7895 65 L 4.2312 7.6726 121.1645 57.8136 41.9269 177.1276 66 P 4.4432 0.0000 0.0000 64.0857 31.5706 176.6389 67 K 4.3487 8.0401 117.9227 57.0705 33.1087 177.0656 68 G 4.0068 7.5547 107.3142 44.3805 0.0000 173.8252 69 S 4.4433 8.7617 115.7377 57.3985 64.7414 175.4359 70 K 4.1168 8.3999 122.0658 58.8907 31.2052 179.2373 71 E 3.8420 7.9490 119.0121 59.3665 29.6507 178.5561 72 E 3.5037 7.7097 118.3072 59.3311 28.8929 179.4189 73 Q 3.8362 8.0175 118.1838 58.8893 28.5893 179.0708 74 R 3.9981 7.5709 118.4873 59.1827 30.0241 178.8660 75 D 4.3663 7.5292 118.2944 57.5028 40.8003 178.2898 76 Y 4.7159 7.9567 117.5486 61.3945 37.9187 178.9366 77 V 3.4817 8.1074 119.1295 65.7412 31.5764 177.8951 78 F 3.9597 7.9580 120.2727 61.6088 39.2344 176.8610 79 Y 4.1862 8.0628 115.9057 60.5926 37.6320 178.2662 80 L 3.8367 7.9759 120.3613 57.3097 41.4827 179.2282 81 A 3.9969 7.5648 120.9097 54.9419 18.2962 179.8439 82 V 3.5093 7.5900 116.9042 65.9571 31.4844 178.3546 83 G 3.5825 8.2599 105.7490 48.1271 0.0000 175.3677 84 N 4.3438 8.2376 119.5550 55.8194 38.5003 176.9402 85 Y 4.1985 8.2623 121.1430 60.8946 38.7685 178.3552 86 R 3.7044 7.9943 116.9866 57.9772 30.2047 177.8526 87 L 4.2786 7.1086 117.0892 53.4982 42.0350 176.5895 88 K 2.9431 7.3118 117.1802 57.6331 30.3318 177.6152 89 E 4.2212 7.7788 120.1510 54.8887 26.1127 175.7465 90 Y 4.4491 7.0471 120.9741 61.1633 38.5844 177.9388 91 E 3.9695 8.2642 119.4918 59.3744 29.8720 178.8937 92 K 3.9098 8.0625 117.7352 59.2628 32.1851 179.0056 93 A 4.2099 8.3258 121.1446 55.3972 18.2946 179.7332 94 L 4.0017 8.5572 117.8837 57.6403 41.6931 179.5985 95 K 3.8501 8.2090 119.6735 59.6745 32.0467 178.3462 96 Y 4.1644 7.6821 116.3186 61.1477 37.7764 178.7031 97 V 3.6335 7.8998 118.9304 66.3487 31.4428 178.2442 98 R 4.0365 8.1498 116.6139 59.2514 30.0253 179.0547 99 G 3.7406 8.1494 105.5288 47.6081 0.0000 175.6068 100 L 4.0542 8.1886 122.8606 57.9711 42.0301 179.0856 101 L 4.1453 8.3908 119.0657 57.5286 41.2567 179.3649 102 Q 4.1566 7.7077 117.8328 58.4064 28.7206 177.7204 103 T 4.4067 7.7338 109.2369 62.1789 71.1850 174.7060 104 E 4.6248 8.6093 121.7226 52.9510 29.7648 174.2161 105 P 4.4130 0.0000 0.0000 64.9991 31.8569 177.6529 106 Q 4.2177 7.9427 113.4006 56.1815 28.7197 176.4295 107 N 4.5624 7.9180 118.7765 52.6920 38.5406 174.7167 108 N 4.4941 8.4250 126.1242 55.6891 39.3458 176.3739 109 Q 4.2354 8.1204 119.2725 58.9728 28.8998 178.0441 110 A 4.2663 8.4825 121.9386 55.0291 18.4640 179.5999 111 K 3.8984 7.8918 117.6975 59.8145 32.3316 178.9544 112 E 3.9970 8.7106 119.1600 59.1854 29.2123 179.1552 113 L 3.7852 7.9689 120.6239 57.8999 42.0367 178.5779 114 E 3.8533 8.2046 119.3423 59.3500 29.5324 179.0362 115 R 3.8549 7.9982 118.1270 59.0634 30.0547 178.8224 116 L 3.8767 7.8262 120.1426 58.0440 41.8242 179.1028 117 I 3.6901 7.4990 118.8489 64.5050 37.1478 177.8210 118 D 4.3941 7.9598 118.5517 57.2274 40.8752 178.4768 119 K 4.0772 8.4349 120.3229 59.1693 32.1324 179.3560 120 A 4.2976 7.9236 119.2236 52.3065 17.9557 179.4223 *122 K 4.0998 7.9545 121.1723 58.0345 34.1556 177.6937 123 K 4.0517 8.2534 118.2451 59.0874 32.3951 176.2809 124 D 4.5402 7.8456 121.7109 54.4360 40.8302 176.2284 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 H 8.30 4.67 0.00 3.22 3.36 0.00 5.62 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *5 E 8.09 4.26 0.00 2.06 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 2.31 2.33 0.00 6 A 7.79 4.03 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.96 3.54 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 1.00 0.00 0.00 1.03 0.00 0.00 8 L 7.89 3.95 0.00 1.74 1.86 0.95 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 9 N 8.30 4.33 0.00 3.00 2.98 0.00 0.00 6.90 7.27 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 10 E 8.31 3.96 0.00 2.20 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 2.29 2.35 0.00 11 L 8.03 4.05 0.00 2.00 1.93 0.95 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 12 V 8.02 3.67 2.28 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 1.27 0.00 0.00 1.06 0.00 0.00 13 S 8.29 4.39 0.00 4.12 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 0.00 14 V 7.69 3.59 2.27 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 1.03 0.00 0.00 1.07 0.00 0.00 15 E 8.12 3.95 0.00 2.18 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 2.41 0.00 16 D 8.56 4.44 0.00 3.12 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 17 L 8.24 4.19 0.00 1.96 1.98 1.13 0.82 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 18 L 8.14 4.03 0.00 1.75 1.71 0.94 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.98 3.73 0.00 1.69 1.67 0.00 1.33 0.00 0.00 0.97 0.00 0.00 2.70 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.48 1.10 7.81 20 F 8.17 4.41 0.00 3.29 3.15 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 21 E 8.28 2.78 0.00 2.24 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 0.00 2.28 2.22 0.00 22 K 7.73 3.85 0.00 1.97 1.82 0.00 1.66 0.00 0.00 1.54 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.55 7.81 23 K 7.97 3.91 0.00 1.96 1.90 0.00 1.75 0.00 0.00 1.83 0.00 0.00 3.19 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.47 7.81 24 F 8.33 4.14 0.00 3.01 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 25 Q 8.42 3.89 0.00 2.15 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.59 0.00 0.00 0.00 0.00 0.00 2.45 2.59 0.00 26 S 8.35 4.05 0.00 3.97 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 27 E 8.24 3.96 0.00 1.98 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 2.32 2.44 0.00 28 K 7.69 3.85 0.00 1.27 1.77 0.00 1.60 0.00 0.00 1.59 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.27 7.81 29 A 7.66 4.07 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 30 A 8.52 4.47 1.32 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 0.00 0.00 31 G 7.03 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 32 S 8.13 4.25 0.00 4.00 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 33 V 8.07 3.89 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 1.00 0.00 0.00 0.55 0.00 0.00 34 S 8.63 4.46 0.00 4.18 4.02 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 35 K 8.68 4.09 0.00 1.91 2.04 0.00 1.81 0.00 0.00 1.95 0.00 0.00 3.04 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.62 1.57 7.81 36 S 8.09 4.23 0.00 4.12 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 0.00 37 T 7.99 4.41 4.48 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 1.48 0.00 0.00 38 Q 8.57 4.17 0.00 2.41 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 39 F 8.61 4.07 0.00 3.33 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 40 E 8.32 3.39 0.00 1.66 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 1.98 2.53 0.00 41 Y 7.86 4.29 0.00 3.05 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 42 A 7.90 3.53 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 43 W 7.69 3.40 0.00 2.04 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 44 C 8.10 4.28 0.00 3.36 3.13 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 45 L 7.88 3.86 0.00 1.49 1.66 -0.15 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 46 V 7.40 3.72 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 0.62 0.00 0.00 0.69 0.00 0.00 47 R 6.95 4.28 0.00 1.55 1.69 0.00 2.21 0.00 0.00 2.25 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.93 0.00 48 T 6.77 4.05 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 1.31 0.00 0.00 49 R 8.17 3.97 0.00 1.57 1.35 0.00 3.08 0.00 0.00 2.86 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.45 0.00 50 Y 7.34 4.71 0.00 3.05 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 51 N 8.85 4.36 0.00 2.74 2.85 0.00 0.00 6.90 8.08 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 52 D 8.12 4.39 0.00 2.87 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 53 D 8.04 4.27 0.00 2.98 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 54 I 7.55 3.72 1.93 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.75 0.84 0.00 0.00 55 R 8.02 3.86 0.00 1.97 1.94 0.00 3.10 0.00 0.00 3.06 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 56 K 7.95 3.98 0.00 1.87 1.82 0.00 1.62 0.00 0.00 1.53 0.00 0.00 2.99 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.19 1.38 7.81 57 G 8.27 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 0.00 0.00 0.00 58 I 7.83 3.65 1.97 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.00 0.95 0.00 0.00 59 V 7.73 3.75 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 1.02 0.00 0.00 0.94 0.00 0.00 60 L 7.95 3.96 0.00 1.66 1.54 0.30 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 61 L 7.87 3.83 0.00 1.97 1.67 1.02 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.05 4.07 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 2.43 2.50 0.00 63 E 7.86 4.14 0.00 2.29 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 2.36 2.57 0.00 64 L 7.62 4.08 0.00 1.53 0.64 0.96 0.26 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 65 L 7.67 4.23 0.00 2.00 1.87 1.16 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 66 P 0.00 4.44 0.00 2.26 2.20 0.00 3.87 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.02 0.00 67 K 8.04 4.35 0.00 1.97 1.96 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.41 7.81 68 G 7.55 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 0.00 0.00 0.00 69 S 8.76 4.44 0.00 4.03 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 70 K 8.40 4.12 0.00 1.79 1.88 0.00 1.93 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.52 1.35 7.81 71 E 7.95 3.84 0.00 1.93 1.84 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 2.27 2.26 0.00 72 E 7.71 3.50 0.00 1.90 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 2.09 2.18 0.00 73 Q 8.02 3.84 0.00 2.05 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.66 2.49 0.00 74 R 7.57 4.00 0.00 1.97 1.94 0.00 3.07 0.00 0.00 3.35 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 75 D 7.53 4.37 0.00 2.62 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 76 Y 7.96 4.72 0.00 3.18 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 77 V 8.11 3.48 2.32 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 1.24 0.00 0.00 1.12 0.00 0.00 78 F 7.96 3.96 0.00 2.97 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 79 Y 8.06 4.19 0.00 3.35 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 80 L 7.98 3.84 0.00 1.13 0.47 0.81 0.43 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 81 A 7.56 4.00 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 82 V 7.59 3.51 2.14 0.00 0.00 0.00 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 0.41 0.00 0.00 83 G 8.26 3.58 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 84 N 8.24 4.34 0.00 2.96 3.13 0.00 0.00 6.74 7.04 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 85 Y 8.26 4.20 0.00 3.11 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 86 R 7.99 3.70 0.00 1.85 1.85 0.00 3.19 0.00 0.00 3.39 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.96 0.00 87 L 7.11 4.28 0.00 1.61 1.58 0.86 0.82 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 88 K 7.31 2.94 0.00 1.62 1.38 0.00 1.57 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.13 1.15 7.81 89 E 7.78 4.22 0.00 2.07 1.85 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 2.15 2.42 0.00 90 Y 7.05 4.45 0.00 3.08 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 91 E 8.26 3.97 0.00 2.07 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 2.38 2.42 0.00 92 K 8.06 3.91 0.00 2.01 1.95 0.00 1.75 0.00 0.00 1.89 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.50 7.81 93 A 8.33 4.21 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.56 4.00 0.00 1.89 1.75 0.96 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 95 K 8.21 3.85 0.00 1.83 1.74 0.00 1.52 0.00 0.00 1.39 0.00 0.00 2.79 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.24 1.39 7.81 96 Y 7.68 4.16 0.00 3.36 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 97 V 7.90 3.63 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 1.20 0.00 0.00 0.89 0.00 0.00 98 R 8.15 4.04 0.00 1.88 1.99 0.00 3.22 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.80 0.00 99 G 8.15 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 0.00 100 L 8.19 4.05 0.00 1.97 1.95 1.07 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 101 L 8.39 4.15 0.00 1.88 1.71 0.93 1.08 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 0.00 102 Q 7.71 4.16 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.87 0.00 0.00 0.00 0.00 0.00 2.40 2.59 0.00 103 T 7.73 4.41 4.25 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 1.29 0.00 0.00 104 E 8.61 4.62 0.00 2.07 1.85 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 2.18 2.22 0.00 105 P 0.00 4.41 0.00 2.03 2.12 0.00 3.71 0.00 0.00 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 106 Q 7.94 4.22 0.00 2.02 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.19 0.00 0.00 0.00 0.00 0.00 2.35 2.27 0.00 107 N 7.92 4.56 0.00 2.76 2.80 0.00 0.00 6.85 6.47 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 0.00 108 N 8.42 4.49 0.00 2.87 2.78 0.00 0.00 7.12 7.12 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 0.00 109 Q 8.12 4.24 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.69 0.00 0.00 0.00 0.00 0.00 2.34 2.46 0.00 110 A 8.48 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 0.00 111 K 7.89 3.90 0.00 1.90 2.10 0.00 1.53 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.52 7.81 112 E 8.71 4.00 0.00 2.19 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 2.33 2.51 0.00 113 L 7.97 3.79 0.00 1.78 1.76 0.46 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 114 E 8.20 3.85 0.00 2.07 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 0.00 2.28 2.34 0.00 115 R 8.00 3.85 0.00 2.04 1.93 0.00 3.16 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.85 0.00 116 L 7.83 3.88 0.00 1.77 1.29 0.66 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 117 I 7.50 3.69 1.96 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 1.61 0.58 0.96 0.00 0.00 118 D 7.96 4.39 0.00 2.73 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 0.00 119 K 8.43 4.08 0.00 1.81 1.95 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.44 7.81 120 A 7.92 4.30 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 *122 K 7.95 4.10 0.00 1.90 1.90 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.60 7.81 123 K 8.25 4.05 0.00 1.70 1.89 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.40 7.81 124 D 7.85 4.54 0.00 2.91 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 * Residues marked with a * may have inaccurate shift predictions.