NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.5750 8.1733 120.0772 56.2885 34.1039 174.0653 3 L 4.8301 8.7920 125.7042 52.4045 44.6407 174.1403 4 I 4.7188 8.6009 124.9866 60.3290 39.1093 175.2997 5 V 4.3560 9.2305 126.8548 61.4695 33.8877 175.0079 6 G 4.1178 9.0438 117.7824 44.9113 0.0000 171.7614 *8 T 4.5592 8.2827 114.8930 63.3638 69.5178 174.2157 9 G 4.2323 8.5631 109.9744 46.0077 0.0000 173.7877 10 A 4.5165 7.6904 122.0052 50.1968 20.4265 178.1945 11 T 4.2320 7.6698 114.8460 62.6831 68.1633 173.4102 12 G 3.9761 9.6588 118.0784 45.8391 0.0000 175.8833 13 A 4.0368 8.7703 125.1149 54.5134 18.2446 178.4318 14 P 4.2904 0.0000 0.0000 65.7097 31.2871 178.7136 15 L 4.0800 7.9719 117.8659 57.6155 41.4802 179.7659 16 G 3.5319 7.9814 105.1282 47.8045 0.0000 175.6752 17 V 3.4826 7.8387 121.0228 65.5974 31.4681 177.9737 18 A 4.3401 7.9725 121.7797 54.5388 18.2124 179.3767 19 L 3.9302 7.9346 118.9204 58.3144 42.1683 179.2389 20 L 4.0103 8.1459 119.0862 57.6885 41.3744 179.4892 21 Q 3.9128 8.4516 118.2131 59.0456 28.1931 178.7721 22 A 4.0753 8.2308 121.7496 55.1952 18.1557 179.7100 23 L 3.9898 7.8874 116.8283 57.8665 41.7566 179.3394 24 R 4.0089 7.8577 117.8493 58.5797 31.2965 177.6126 25 E 4.2292 7.4083 119.2343 54.6173 26.6045 174.4356 *27 P 4.4305 0.0000 0.0000 62.3354 33.9781 178.5814 28 N 4.5884 8.2065 113.0039 53.5956 37.5237 174.5964 29 V 4.2191 7.2232 118.5934 61.0792 33.2582 173.8253 30 E 4.9437 8.7246 128.7703 55.0694 31.5005 174.2512 31 T 5.0678 8.8696 117.3751 60.2993 71.7547 172.9592 32 H 5.2780 9.4453 123.0825 54.1659 31.1975 172.6988 33 L 5.0622 8.9866 126.8854 53.8896 43.9950 175.5366 34 V 4.8636 8.6620 125.0229 61.0988 35.9712 174.0015 *36 S 4.3443 8.3440 115.2601 57.4890 63.6834 174.5226 37 K 3.6928 8.6105 121.0005 59.7807 31.7318 178.7372 38 W 4.2854 8.1362 117.8801 59.1528 29.0468 178.3416 39 A 4.1045 8.2280 121.3462 54.9902 17.8316 179.6118 40 K 3.8588 7.8883 116.5822 60.0583 32.1640 179.5710 41 T 3.8840 7.5463 115.0172 67.0903 68.3286 176.8949 42 T 4.0228 8.1127 117.5746 66.4937 68.4670 176.9334 43 I 3.7488 8.4571 122.1210 64.5842 36.9613 178.3660 44 E 4.1512 7.9278 117.9033 59.2579 29.3451 178.9368 45 L 4.1112 7.8852 119.4144 57.8650 42.1922 178.1163 46 E 4.5041 8.5387 117.1499 55.8544 30.0607 175.6701 47 T 4.6586 7.2266 108.1364 58.9110 71.7978 172.2095 48 P 4.3627 0.0000 0.0000 63.7213 31.7584 175.9144 49 Y 4.6303 7.3695 117.3669 57.4028 39.3037 175.8710 50 S 4.6466 8.6690 118.1057 57.1484 66.2081 175.2818 51 A 4.0314 8.2099 121.8740 55.4124 17.9707 180.1664 52 R 3.9391 7.9458 116.1261 59.3158 29.9698 178.6200 53 D 4.4013 7.8516 117.9070 57.5592 41.1256 178.9386 54 V 3.5759 7.7426 117.8513 65.8146 31.5412 177.7072 55 A 3.9406 8.4604 120.7910 55.3074 17.9822 179.2180 56 A 4.0822 7.8552 117.1595 54.2156 18.5219 179.1927 57 L 4.0247 7.8710 116.6138 55.4342 42.0138 176.7806 58 A 4.7562 6.9318 121.1112 50.2428 21.2024 176.5427 59 D 4.3673 8.3273 119.8830 56.7400 41.4370 177.2394 60 F 4.8797 8.4788 115.4741 55.6034 43.5919 174.2310 61 S 5.0480 8.5751 115.1989 57.0835 64.9582 172.6590 62 H 5.0678 9.1225 124.2366 53.6734 31.6353 173.7101 63 N 4.5048 8.6216 120.0909 52.6207 39.5443 174.3324 64 P 4.2296 0.0000 0.0000 64.8662 31.5516 177.1829 65 A 4.2329 8.0965 120.5508 52.2980 19.4672 177.3149 66 D 4.5798 7.9494 117.3725 53.1687 39.5609 176.4459 67 Q 4.1980 8.3381 120.5396 56.4766 29.0474 176.6056 68 A 4.4989 7.8623 119.9297 51.4671 19.7872 176.9966 69 A 4.1466 7.4971 121.0789 52.1836 19.3791 179.1644 70 T 3.4540 8.3942 110.4214 64.7579 68.2775 176.1765 71 I 3.9838 7.0663 112.1336 61.5898 37.7065 176.2431 72 S 4.2352 7.6949 115.5387 59.3901 62.6588 173.3528 73 S 4.7319 7.8985 115.8373 56.6796 63.5579 175.0321 74 G 3.9800 9.0048 116.3327 48.1005 0.0000 175.0429 75 S 4.0799 8.0148 113.5393 60.4207 63.1841 173.9147 76 F 4.2818 7.6219 121.7975 57.0559 38.1451 174.5560 77 R 3.8847 7.9133 129.2875 56.2289 30.3949 175.6276 78 T 4.5883 7.9368 113.7535 60.1415 71.9708 173.2303 79 D 4.7394 10.2238 120.7607 54.3178 42.3436 177.6833 80 G 4.2672 6.8070 107.8769 45.5604 0.0000 172.6303 *82 I 4.4534 7.8880 124.1588 61.1930 39.2264 174.6622 83 V 4.8151 8.6095 126.7553 61.2515 33.4704 174.5602 84 I 4.8406 8.6789 129.6182 59.0651 40.4145 172.8638 85 P 4.7025 0.0000 0.0000 62.7498 33.0432 174.8706 86 C 4.8491 9.1612 121.4866 56.4706 33.3945 172.7338 87 S 4.8169 8.6332 129.2976 57.7935 62.1074 176.1472 *89 K 4.2318 8.8306 115.5067 57.0785 34.1206 178.0586 90 T 3.8820 7.9284 116.8111 65.8633 68.3015 176.2371 91 L 3.9383 8.1449 122.2327 58.3887 42.0935 179.0069 92 A 4.2601 8.0903 120.0909 55.0404 18.3624 179.6617 93 G 3.6620 8.3544 104.3211 48.0645 0.0000 176.0299 94 I 3.7546 7.9351 122.5844 64.0204 36.9139 178.5070 95 R 3.8860 7.8878 118.0891 59.4908 30.0329 178.2022 96 A 4.2298 8.0325 119.1979 52.9412 18.3863 178.4267 97 G 3.8551 7.6206 104.6307 46.4376 0.0000 174.5777 98 Y 4.3884 7.7780 121.7809 56.5388 37.1982 176.3281 99 A 4.2891 7.3715 129.0257 51.2360 17.1766 177.2658 100 D 4.1233 7.5666 121.5218 55.0288 42.4134 175.3669 101 G 4.2776 7.4539 106.5168 42.9649 0.0000 172.3544 102 L 3.9309 9.1036 120.4108 57.6983 41.9089 179.6154 103 V 3.6751 7.8190 118.2641 65.8929 31.4932 178.1379 104 G 3.5644 7.9759 104.9980 47.6468 0.0000 175.5420 105 R 3.8227 8.2174 121.2726 59.1810 30.1081 178.3673 106 A 3.9721 8.2348 120.5465 55.1365 18.3077 179.5528 107 A 3.9194 7.9804 119.0477 55.2963 18.5173 179.2469 108 D 4.2844 8.3954 116.9974 57.4716 41.2852 178.7346 109 V 3.5480 8.1346 118.9785 65.9783 31.5607 177.8032 110 V 3.6140 7.9512 118.2331 66.3516 31.3363 178.0148 111 L 4.0184 8.0287 118.5549 57.6587 41.2632 179.6926 112 K 4.0921 8.0538 117.6434 59.5277 32.7541 178.2257 113 E 4.3393 8.4056 118.2083 55.9464 29.3747 177.5476 114 G 4.0051 7.6124 106.6545 46.1473 0.0000 173.9247 115 R 4.4923 7.7672 118.0701 54.4232 31.7171 176.0780 116 K 4.1758 8.5568 122.2313 56.2021 33.6558 174.9711 117 L 4.9772 8.5867 129.3681 53.2998 44.6294 174.6980 118 V 4.7730 8.5555 125.8750 61.2346 33.9581 173.8583 119 L 4.8731 8.9682 128.5459 53.0992 43.8375 177.2496 120 V 4.9401 8.5411 122.6142 59.5916 30.7241 171.7925 121 P 4.8912 0.0000 0.0000 62.2847 33.1353 176.1463 122 R 4.7764 8.3430 123.3842 55.1663 32.6226 173.6127 123 E 4.4468 8.5138 125.3915 55.4970 32.3739 172.0056 *125 P 4.2308 0.0000 0.0000 62.2138 32.4033 175.9421 126 L 4.5745 8.2428 119.3464 54.0145 42.8572 177.6872 127 S 4.6641 8.2437 118.0199 57.0576 66.5168 175.1832 128 T 3.8640 8.2021 117.2793 66.8115 68.0112 176.8610 129 I 3.8358 7.5627 121.0950 64.6746 37.0334 177.7433 130 H 4.2188 7.3518 114.7998 59.2295 28.6855 177.5224 131 L 4.1632 7.8187 118.9655 57.6481 41.6712 179.1418 132 E 4.1885 8.4632 118.8263 59.4345 29.3368 180.2567 133 N 4.6125 8.0586 113.7986 53.6584 38.3361 176.7995 *135 L 4.1463 7.9220 123.8482 55.1352 43.9646 178.4073 136 A 4.0012 8.1185 118.9749 55.4690 18.5873 179.3777 137 L 4.0953 7.7836 117.0205 57.6803 41.4705 179.3876 138 S 4.4000 7.9707 113.1906 60.6169 62.5512 178.3247 139 R 4.2157 7.9748 121.4991 55.5247 29.8297 177.7849 *141 G 3.8154 7.9755 105.9389 44.6810 0.0000 173.7974 142 V 3.7525 7.6725 121.3120 62.4943 32.2394 176.3644 143 A 4.4165 8.2882 131.5190 51.7392 20.2747 175.8680 *145 V 3.7207 7.9821 109.7730 62.2388 31.7382 173.7605 146 P 4.7814 0.0000 0.0000 60.9312 32.3238 175.5150 147 P 4.3517 0.0000 0.0000 61.8423 32.2251 173.9368 *149 P 3.9245 0.0000 0.0000 62.5147 32.2700 175.4462 150 A 4.6927 7.9558 123.0727 50.6426 20.8572 176.5954 151 F 4.6398 8.5044 118.3895 57.2034 40.7437 177.0666 152 Y 4.2812 7.7912 118.8258 59.1182 38.1483 176.0658 153 N 4.7157 7.4538 116.1614 51.9554 38.1079 174.7679 154 H 4.0673 7.5648 114.3833 56.6520 26.3955 172.8984 155 P 4.4646 0.0000 0.0000 62.8697 32.5024 176.5710 156 E 4.4881 9.6875 118.6335 57.0007 31.4704 176.8113 157 T 4.6744 7.5963 107.2022 59.1302 72.9898 175.0022 158 V 3.5673 8.1418 119.8320 66.2159 31.4055 177.2812 159 D 4.3922 8.1811 118.1093 57.6856 40.5164 178.3502 160 D 4.3838 7.8869 118.5647 57.6818 40.8770 179.2963 161 I 3.6055 7.3538 119.0128 64.1937 37.0309 178.5291 162 V 3.5406 8.0246 119.4761 66.5934 31.3423 177.9109 163 H 4.1315 8.4301 115.8884 58.8205 28.4867 177.4134 164 H 4.1225 8.0654 120.4319 59.0170 29.6232 177.4328 165 V 3.5045 7.7802 120.0705 66.0001 31.3096 177.9373 166 V 3.5349 7.9344 117.8675 66.1182 31.3443 177.6204 167 A 3.9809 7.9196 120.2469 55.5231 17.9712 179.8553 168 R 3.9808 7.7152 115.0756 58.7972 30.4130 179.2525 169 V 3.7600 8.0562 118.6357 66.0892 31.5783 177.9965 170 L 4.1660 8.2740 119.0093 58.0407 41.4249 178.9850 171 D 4.5040 8.2913 118.7724 57.8871 40.5204 179.1944 172 Q 4.0369 8.0150 117.2498 57.7331 28.2378 177.2006 173 F 4.7018 8.4203 118.5525 56.6028 39.4454 175.9432 174 G 4.1686 7.9041 107.1389 46.4776 0.0000 173.9935 175 L 4.5203 7.3386 118.7865 52.9275 43.0742 176.4585 176 E 4.4517 8.4505 122.1213 54.7046 29.6206 175.3632 177 H 4.3222 8.6424 125.3393 55.2451 30.3383 173.8032 178 P 4.4176 0.0000 0.0000 63.8007 31.2692 175.8196 179 Y 4.8127 7.4612 115.4733 57.7544 39.1780 175.0836 180 A 4.2182 7.8635 122.7466 52.3349 18.8389 179.2507 181 R 4.5193 8.4589 122.6969 54.6993 29.5939 176.1041 182 R 4.6486 8.0589 120.7962 54.2911 31.6845 176.4476 183 W 4.4547 8.9117 130.6584 57.7283 30.9705 175.8316 184 Q 4.0994 7.9156 122.6965 55.3970 29.5971 175.7050 185 G 3.4893 5.3800 112.0181 45.4368 0.0000 173.2486 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 K 8.17 4.57 0.00 1.62 1.79 0.00 1.38 0.00 0.00 1.92 0.00 0.00 2.77 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.44 1.41 7.81 3 L 8.79 4.83 0.00 1.43 1.30 0.52 -0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 4 I 8.60 4.72 1.89 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 1.14 0.52 0.96 0.00 0.00 5 V 9.23 4.36 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 1.06 0.00 0.00 0.91 0.00 0.00 6 G 9.04 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 *8 T 8.28 4.56 4.47 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 1.30 0.00 0.00 9 G 8.56 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 0.00 0.00 0.00 10 A 7.69 4.52 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 11 T 7.67 4.23 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 1.21 0.00 0.00 12 G 9.66 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 0.00 0.00 0.00 13 A 8.77 4.04 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 14 P 0.00 4.29 0.00 2.18 2.15 0.00 3.53 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 2.13 2.23 0.00 15 L 7.97 4.08 0.00 1.86 1.71 0.95 0.72 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 16 G 7.98 3.53 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 0.00 0.00 0.00 0.00 17 V 7.84 3.48 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 0.71 0.00 0.00 0.95 0.00 0.00 18 A 7.97 4.34 1.30 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 19 L 7.93 3.93 0.00 1.83 1.90 0.96 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.15 4.01 0.00 1.85 1.65 0.89 0.74 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 21 Q 8.45 3.91 0.00 2.26 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 22 A 8.23 4.08 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 23 L 7.89 3.99 0.00 1.87 1.73 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 24 R 7.86 4.01 0.00 1.96 2.09 0.00 3.27 0.00 0.00 3.31 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 25 E 7.41 4.23 0.00 2.17 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 2.56 2.54 0.00 *27 P 0.00 4.43 0.00 2.20 2.13 0.00 3.59 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 28 N 8.21 4.59 0.00 2.83 2.94 0.00 0.00 5.77 7.68 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 29 V 7.22 4.22 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 0.75 0.00 0.00 0.91 0.00 0.00 30 E 8.72 4.94 0.00 2.18 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 2.54 2.58 0.00 31 T 8.87 5.07 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 1.20 0.00 0.00 32 H 9.45 5.28 0.00 3.11 3.40 0.00 5.60 0.00 0.00 0.00 0.00 6.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.99 5.06 0.00 1.78 1.69 1.02 0.74 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 34 V 8.66 4.86 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 1.02 0.00 0.00 0.98 0.00 0.00 *36 S 8.34 4.34 0.00 4.15 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 37 K 8.61 3.69 0.00 1.68 1.63 0.00 0.99 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.37 0.00 0.00 0.00 0.00 1.17 1.23 7.81 38 W 8.14 4.29 0.00 3.50 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 39 A 8.23 4.10 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 40 K 7.89 3.86 0.00 1.92 1.84 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.66 7.81 41 T 7.55 3.88 4.65 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 0.00 0.00 0.00 1.40 0.00 0.00 42 T 8.11 4.02 4.52 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 43 I 8.46 3.75 2.10 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 1.56 0.72 1.02 0.00 0.00 44 E 7.93 4.15 0.00 2.11 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 2.34 0.00 45 L 7.89 4.11 0.00 1.68 1.96 0.95 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.54 4.50 0.00 2.15 1.99 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 2.28 2.46 0.00 47 T 7.23 4.66 4.47 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 1.34 0.00 0.00 48 P 0.00 4.36 0.00 1.87 2.01 0.00 3.54 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.65 0.00 49 Y 7.37 4.63 0.00 3.03 2.90 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 0.00 0.00 0.00 50 S 8.67 4.65 0.00 4.09 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 51 A 8.21 4.03 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 52 R 7.95 3.94 0.00 1.91 1.99 0.00 3.19 0.00 0.00 3.33 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.77 0.00 53 D 7.85 4.40 0.00 3.08 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 54 V 7.74 3.58 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 1.04 0.00 0.00 0.93 0.00 0.00 55 A 8.46 3.94 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 56 A 7.86 4.08 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 57 L 7.87 4.02 0.00 1.82 1.67 0.81 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 58 A 6.93 4.76 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 59 D 8.33 4.37 0.00 2.78 2.40 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 0.00 60 F 8.48 4.88 0.00 2.82 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 61 S 8.58 5.05 0.00 3.80 3.65 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 0.00 0.00 0.00 0.00 62 H 9.12 5.07 0.00 3.03 3.16 0.00 5.71 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 N 8.62 4.50 0.00 2.72 2.69 0.00 0.00 6.77 7.71 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 64 P 0.00 4.23 0.00 2.26 2.31 0.00 3.73 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 2.06 1.96 0.00 65 A 8.10 4.23 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 66 D 7.95 4.58 0.00 2.75 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 67 Q 8.34 4.20 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.78 0.00 0.00 0.00 0.00 0.00 2.48 2.25 0.00 68 A 7.86 4.50 1.23 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 0.00 0.00 69 A 7.50 4.15 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 70 T 8.39 3.45 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 0.78 0.00 0.00 71 I 7.07 3.98 1.83 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 0.90 0.43 0.81 0.00 0.00 72 S 7.69 4.24 0.00 3.81 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 73 S 7.90 4.73 0.00 3.86 3.84 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 74 G 9.00 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 0.00 0.00 0.00 75 S 8.01 4.08 0.00 4.01 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 76 F 7.62 4.28 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.97 0.00 86 C 9.16 4.85 0.00 3.16 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 87 S 8.63 4.82 0.00 4.03 3.41 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.83 4.23 0.00 2.04 2.14 0.00 1.46 0.00 0.00 1.87 0.00 0.00 3.06 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.57 7.81 90 T 7.93 3.88 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 1.25 0.00 0.00 91 L 8.14 3.94 0.00 1.83 1.73 0.94 1.05 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 92 A 8.09 4.26 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 93 G 8.35 3.66 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 94 I 7.94 3.75 2.02 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 1.20 0.00 0.00 129 I 7.56 3.84 1.78 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 1.61 0.71 0.94 0.00 0.00 130 H 7.35 4.22 0.00 3.28 3.35 0.00 5.68 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 0.00 131 L 7.82 4.16 0.00 1.63 1.74 0.95 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 132 E 8.46 4.19 0.00 2.19 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 2.33 2.48 0.00 133 N 8.06 4.61 0.00 2.94 2.85 0.00 0.00 6.69 6.32 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 *135 L 7.92 4.15 0.00 1.81 1.91 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 136 A 8.12 4.00 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 0.00 137 L 7.78 4.10 0.00 1.69 1.73 0.94 1.14 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 0.00 138 S 7.97 4.40 0.00 3.86 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 0.00 139 R 7.97 4.22 0.00 1.98 1.95 0.00 3.25 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.88 0.00 *141 G 7.98 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 0.00 0.00 0.00 142 V 7.67 3.75 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 0.97 0.00 0.00 0.98 0.00 0.00 143 A 8.29 4.42 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 *145 V 7.98 3.72 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 1.02 0.00 0.00 0.93 0.00 0.00 146 P 0.00 4.78 0.00 2.23 2.05 0.00 3.43 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.92 0.00 147 P 0.00 4.35 0.00 2.20 2.09 0.00 3.88 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 1.99 1.95 0.00 *149 P 0.00 3.92 0.00 1.63 1.91 0.00 3.77 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 2.04 2.02 0.00 150 A 7.96 4.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 F 8.50 4.64 0.00 3.10 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 0.00 152 Y 7.79 4.28 0.00 3.22 3.09 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 0.00 153 N 7.45 4.72 0.00 2.76 2.85 0.00 0.00 6.16 7.90 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 0.00 154 H 7.56 4.07 0.00 3.26 3.40 0.00 5.85 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 P 0.00 4.46 0.00 2.03 1.87 0.00 3.65 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 1.82 1.79 0.00 156 E 9.69 4.49 0.00 2.00 1.99 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 2.24 2.35 0.00 157 T 7.60 4.67 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 0.00 158 V 8.14 3.57 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 1.13 0.00 0.00 0.93 0.00 0.00 159 D 8.18 4.39 0.00 2.81 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 0.00 160 D 7.89 4.38 0.00 2.90 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 0.00 161 I 7.35 3.61 1.93 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.61 0.81 0.00 0.00 162 V 8.02 3.54 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 1.05 0.00 0.00 0.97 0.00 0.00 163 H 8.43 4.13 0.00 3.28 3.36 0.00 5.67 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 H 8.07 4.12 0.00 3.24 3.38 0.00 5.79 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 V 7.78 3.50 2.21 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 1.01 0.00 0.00 0.94 0.00 0.00 166 V 7.93 3.53 2.13 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 1.07 0.00 0.00 0.98 0.00 0.00 167 A 7.92 3.98 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 0.00 168 R 7.72 3.98 0.00 1.92 1.99 0.00 3.33 0.00 0.00 3.19 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 169 V 8.06 3.76 2.26 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 1.12 0.00 0.00 1.02 0.00 0.00 170 L 8.27 4.17 0.00 2.10 1.95 0.99 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 171 D 8.29 4.50 0.00 2.93 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 0.00 172 Q 8.01 4.04 0.00 2.11 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.31 0.00 0.00 0.00 0.00 0.00 2.41 2.49 0.00 173 F 8.42 4.70 0.00 3.12 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 0.00 174 G 7.90 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 175 L 7.34 4.52 0.00 2.03 1.64 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 176 E 8.45 4.45 0.00 1.92 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 2.23 2.34 0.00 177 H 8.64 4.32 0.00 3.20 3.23 0.00 5.67 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 P 0.00 4.42 0.00 1.45 1.81 0.00 3.32 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 1.62 0.00 179 Y 7.46 4.81 0.00 2.95 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 0.00 180 A 7.86 4.22 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 0.00 181 R 8.46 4.52 0.00 1.84 1.96 0.00 3.20 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 182 R 8.06 4.65 0.00 1.90 1.99 0.00 3.27 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.70 0.00 183 W 8.91 4.45 0.00 2.82 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 0.00 184 Q 7.92 4.10 0.00 1.99 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.39 0.00 0.00 0.00 0.00 0.00 1.81 2.08 0.00 185 G 5.38 3.49 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 0.00 * Residues marked with a * may have inaccurate shift predictions.