NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1743 8.1633 120.3404 55.2512 34.1100 175.6600 *3 L 4.9536 7.6324 114.9271 54.4363 43.1734 176.5544 4 T 4.1231 8.5025 109.2885 60.9475 69.5928 173.5989 5 P 4.1754 0.0000 0.0000 66.5530 30.8867 178.3004 6 E 3.9617 8.2436 117.8167 59.2213 29.3790 179.0861 7 E 4.0150 8.3181 118.5154 58.7764 29.4808 179.3708 8 K 3.8353 7.7817 118.1109 59.5207 32.2863 178.9655 9 S 4.3533 7.9842 115.2780 61.8336 62.7320 176.7295 10 A 3.9563 7.6763 122.9334 55.2612 17.9037 179.4039 11 V 3.5168 7.5988 116.4736 66.7211 31.2790 178.4651 12 T 4.0107 8.7136 108.7936 64.8753 68.9499 175.6654 13 A 4.0897 8.5939 123.8431 55.1668 18.1189 179.0618 14 L 3.8374 8.6179 117.7794 58.1231 42.2940 179.4445 15 W 4.1705 8.4050 127.6022 59.6593 30.3327 178.0874 16 G 3.8107 7.9852 105.4825 47.8400 0.0000 175.4378 17 K 4.4455 7.5906 118.5064 56.1775 31.8269 176.9725 18 V 4.2353 7.2358 117.5947 60.9495 33.6709 175.7305 19 N 4.5968 8.0610 124.0664 51.5695 38.7387 175.1491 20 V 3.4584 8.0426 126.9543 66.1450 31.4647 177.1582 21 D 4.3000 8.0271 117.6573 57.5069 40.8546 177.8316 22 E 3.8724 8.5352 119.9001 59.2161 29.5646 178.7967 23 V 3.6168 8.2972 118.3112 66.5641 31.5593 177.7552 24 G 3.9165 8.6846 104.1321 48.7651 0.0000 175.4218 25 G 3.6714 8.2775 107.2695 47.0218 0.0000 175.1177 26 E 3.8881 8.0192 120.7519 58.9801 29.7011 178.5361 27 A 3.9287 8.1695 121.0188 55.1703 18.5763 179.0926 28 L 3.9872 8.3307 118.6975 58.3507 41.9142 179.7897 29 G 3.5120 7.8071 105.1062 47.9297 0.0000 176.1172 30 R 3.8838 8.2955 121.0586 58.3281 29.9432 179.0401 31 L 4.0217 7.8201 120.4523 58.2812 42.2892 179.0967 32 L 4.2482 7.9242 118.2633 56.6978 41.1882 179.0885 33 V 3.9126 6.8506 117.1218 64.9440 32.3564 177.7371 34 V 3.4897 8.7576 116.4536 64.4416 32.5806 175.4442 35 Y 3.8115 7.6420 116.3153 53.5610 38.3926 173.6838 36 P 4.4980 0.0000 0.0000 64.0832 31.6821 177.6073 37 W 4.3491 7.5011 115.5983 59.3837 28.1170 177.9987 38 T 4.1887 7.2079 109.4687 64.1714 68.2079 175.7182 39 Q 4.5111 8.1037 121.0930 58.3693 28.5212 177.9062 40 R 3.6262 7.6762 116.3586 59.2188 29.1027 177.4285 41 F 4.1450 7.1793 113.6951 57.8765 39.4679 175.2942 42 F 4.5864 8.1270 121.0135 57.0825 39.5167 176.1199 43 E 4.3623 8.3438 118.9153 57.4164 29.7959 177.7226 44 S 4.7000 7.9184 113.2151 58.3619 63.7952 175.0907 45 F 4.7198 8.1131 119.1210 57.8534 39.8139 177.4618 46 G 3.9613 7.5234 108.7820 45.8641 0.0000 174.8351 47 D 4.4969 8.7085 125.1627 54.4062 40.0453 175.9634 48 L 4.8520 8.4160 124.0756 54.6777 43.9495 178.2693 49 S 4.3232 8.0526 114.9944 60.7487 63.2484 174.5567 50 T 4.7330 7.3440 110.0720 58.4521 73.0706 172.7207 51 P 4.2429 0.0000 0.0000 65.8725 31.2355 178.8227 52 D 4.2742 8.0085 116.9406 57.1541 40.8704 178.1114 53 A 3.9806 8.3824 121.6428 55.4012 18.1336 179.5386 54 V 3.5334 7.5041 114.8323 66.7966 31.6913 177.8843 55 M 4.2528 8.1242 117.3928 58.1628 31.8417 178.6300 56 G 3.7494 8.0419 105.0700 45.7520 0.0000 174.1032 57 N 4.2796 8.2029 120.5231 53.4826 39.6071 173.8383 58 P 4.2578 0.0000 0.0000 65.6601 30.8629 179.0062 59 K 3.4896 8.1495 118.2829 59.1279 31.8787 179.2171 60 V 4.1450 7.7759 117.9326 66.1950 31.0770 178.0897 61 K 3.9013 7.7113 117.4912 59.3001 31.9001 179.2502 62 A 3.9359 8.1898 121.3629 55.2439 18.2112 178.9778 63 H 4.0231 9.4554 117.1807 59.5662 30.0586 177.3529 64 G 3.7971 8.5562 107.9286 47.9709 0.0000 175.4688 65 K 4.1372 7.7666 120.9787 59.1564 32.8731 179.5412 66 K 3.9808 8.0437 120.2232 59.8364 32.5657 179.0634 67 V 3.5735 7.9604 119.8226 65.8893 31.4396 177.7318 68 L 4.1684 8.0769 119.4777 58.1409 41.8426 179.4084 69 G 3.7038 8.5663 105.8102 47.5103 0.0000 175.4919 70 A 4.3941 7.9363 123.6715 54.4085 18.8442 178.9534 71 F 4.3430 8.5585 119.2974 61.8334 39.1007 177.4050 72 S 4.2796 8.5700 114.5630 62.0423 62.6130 176.5050 73 D 4.4942 8.7323 121.8796 57.1951 40.3903 179.0689 74 G 3.6692 7.9334 106.0549 47.9531 0.0000 175.7218 75 L 3.7228 7.2030 119.4227 56.7609 41.6041 178.7023 76 A 4.2279 7.5542 118.7042 52.8969 19.6141 176.7377 77 H 4.9577 8.0276 115.1992 55.0800 29.5137 175.2301 78 L 4.0936 7.9750 118.5122 56.7778 41.8756 178.0461 79 D 4.7994 7.6543 117.1892 53.7890 41.9441 176.6389 80 N 4.7719 7.8890 116.0505 51.4096 40.2389 175.9137 81 L 4.1717 7.7229 120.5717 57.5290 42.2461 179.5074 82 K 4.1154 8.0025 118.5967 59.1163 32.0083 179.0409 83 G 4.0620 8.0388 105.6192 47.5690 0.0000 175.2968 84 T 3.7051 7.4860 116.8315 66.1167 68.8163 176.3061 85 F 4.5478 8.2210 117.5153 58.4433 39.0782 177.0822 86 A 3.8153 8.0667 118.5507 56.8030 18.0445 179.4829 87 T 4.1658 7.8619 112.8172 65.6926 69.0488 176.6911 88 L 4.1746 7.9249 120.1814 57.4105 41.7750 179.2753 89 S 4.3545 8.7810 113.6706 61.4648 62.2920 175.6885 90 E 3.9057 8.3394 121.3854 59.5578 29.2046 179.1278 91 L 3.9194 8.0090 119.8342 58.7128 42.0845 178.5747 92 H 4.1410 8.2308 115.8130 59.8453 28.3249 176.5005 93 C 3.5340 8.0821 120.7718 62.0142 30.9688 175.1462 94 D 4.3242 9.2199 124.1035 56.1862 40.8505 177.5935 95 K 4.3399 7.5934 116.6001 57.9999 33.5541 177.6645 96 L 3.9966 8.0311 117.3822 55.6945 42.2287 176.7192 97 H 4.2164 7.2208 114.1250 56.8315 26.3995 174.9951 98 V 4.4293 8.1724 118.1367 60.7632 33.2662 174.5504 99 D 4.3073 8.8453 126.8545 53.7580 40.9753 174.9154 100 P 2.9701 0.0000 0.0000 64.6036 31.8288 178.0572 101 E 3.8539 8.2376 119.2644 59.0908 29.3600 177.9784 102 N 4.2589 8.3279 117.0404 56.8123 38.6498 177.2246 103 F 4.5115 6.9921 117.4912 60.6721 38.9451 177.8984 104 R 4.0774 8.3285 118.1978 58.7246 29.8369 178.9234 105 L 3.8125 7.7721 118.4336 57.9072 41.7125 178.4709 106 L 4.0444 8.2943 120.2662 58.4308 41.7892 178.9907 107 G 4.0108 8.4620 105.0172 48.3710 0.0000 175.1259 108 N 4.4492 8.2697 118.6773 55.9229 38.5877 177.7152 109 V 3.6316 8.1544 120.0760 65.8652 31.5618 177.5264 110 L 3.8692 8.5351 120.4593 58.5194 41.8403 179.3155 111 V 3.5761 7.6263 117.8870 65.9047 31.4312 177.8345 112 C 4.0336 7.6778 116.1215 62.7321 28.0603 175.8285 113 V 3.5330 8.0863 120.0944 66.3787 31.0919 178.0946 114 L 3.8819 7.9120 118.3462 57.5315 41.2822 179.4992 115 A 3.4938 7.2280 120.8074 54.9062 18.0971 179.1959 116 H 4.0499 7.9047 115.7618 59.8339 30.1204 176.7780 117 H 4.0864 8.0795 118.5227 58.2625 29.9663 176.1135 118 F 4.7011 8.3712 117.0819 57.3637 40.3361 176.8120 119 G 3.9225 8.6005 109.1874 45.9215 0.0000 175.3625 120 K 4.0551 8.9414 119.2132 59.6185 32.3627 177.6190 121 E 4.1463 8.1802 119.1521 57.8311 30.1812 176.8468 122 F 4.4736 8.4524 123.4905 57.5223 37.9744 175.1894 123 T 4.1726 7.2512 115.4174 60.2909 71.3015 173.4875 124 P 4.1418 0.0000 0.0000 65.5884 31.3062 177.0297 125 P 4.1820 0.0000 0.0000 65.6367 31.1800 178.8796 126 V 3.5537 7.2137 116.7079 65.7656 31.4044 177.4100 127 Q 3.4985 7.9634 119.5117 59.1815 28.6796 178.2004 128 A 3.9366 8.2278 121.4138 55.4582 18.3629 179.2084 129 A 3.8578 7.8823 118.7346 55.8726 18.4121 179.5770 130 Y 3.5908 8.1914 115.1086 61.0176 37.9405 178.5374 131 Q 4.1546 8.7137 119.5151 58.9092 28.7382 178.9632 132 K 3.9407 8.3230 119.7508 59.5269 32.1149 179.6145 133 V 3.4184 7.4469 118.0562 66.0141 31.5483 178.5731 134 V 3.8115 8.4923 112.4701 64.1033 31.2637 178.4144 135 A 4.0607 8.6587 121.1507 55.1461 18.2230 179.5591 136 G 3.7025 8.6653 104.7430 48.3242 0.0000 175.9349 137 V 3.2743 7.7804 120.5030 65.0783 31.5709 177.8901 138 A 4.0008 7.7929 120.3000 55.2755 18.2107 179.1764 139 N 4.2408 8.4085 114.9797 56.6632 38.5136 177.5899 140 A 4.1460 8.0920 120.1943 54.3719 18.4794 178.7264 141 L 4.3912 7.3530 115.8572 56.2359 42.4946 178.5022 142 A 3.8845 8.1873 121.0171 55.1474 18.0992 179.0452 143 H 4.0828 7.7073 116.2849 58.8266 30.0779 175.5158 144 K 4.5675 8.3220 116.0028 55.9946 32.4961 175.7575 145 Y 3.9975 8.6088 118.5473 58.3164 38.3455 175.7733 146 H 4.4521 8.3271 118.3193 56.1026 28.3368 173.2092 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 M 8.16 4.17 0.00 1.97 2.21 0.00 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.44 0.00 *3 L 7.63 4.95 0.00 1.61 1.88 0.81 0.88 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 4 T 8.50 4.12 4.22 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 1.23 0.00 0.00 5 P 0.00 4.18 0.00 2.26 2.35 0.00 3.69 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.06 0.00 6 E 8.24 3.96 0.00 1.98 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 2.35 0.00 7 E 8.32 4.02 0.00 2.27 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 2.27 2.30 0.00 8 K 7.78 3.84 0.00 1.91 1.80 0.00 1.66 0.00 0.00 1.77 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.46 7.81 9 S 7.98 4.35 0.00 4.10 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 10 A 7.68 3.96 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 11 V 7.60 3.52 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 0.71 0.00 0.00 0.40 0.00 0.00 12 T 8.71 4.01 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 1.23 0.00 0.00 13 A 8.59 4.09 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 14 L 8.62 3.84 0.00 1.82 1.75 0.80 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 15 W 8.41 4.17 0.00 3.86 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 16 G 7.99 3.81 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 0.00 0.00 0.00 17 K 7.59 4.45 0.00 2.28 2.05 0.00 1.93 0.00 0.00 1.82 0.00 0.00 3.27 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.58 1.50 7.81 18 V 7.24 4.24 1.40 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 -0.22 0.00 0.00 0.75 0.00 0.00 19 N 8.06 4.60 0.00 2.70 2.61 0.00 0.00 6.69 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 20 V 8.04 3.46 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 1.14 0.00 0.00 0.91 0.00 0.00 21 D 8.03 4.30 0.00 2.92 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 22 E 8.54 3.87 0.00 2.10 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 2.26 2.26 0.00 23 V 8.30 3.62 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 0.92 0.00 0.00 0.75 0.00 0.00 24 G 8.68 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.28 3.67 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 0.00 0.00 0.00 26 E 8.02 3.89 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 2.27 2.29 0.00 27 A 8.17 3.93 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 28 L 8.33 3.99 0.00 1.75 1.67 0.94 1.39 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 29 G 7.81 3.51 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 0.00 0.00 0.00 30 R 8.30 3.88 0.00 2.05 1.93 0.00 3.08 0.00 0.00 3.03 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 31 L 7.82 4.02 0.00 1.92 1.91 1.07 0.75 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 32 L 7.92 4.25 0.00 1.99 1.70 0.89 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 33 V 6.85 3.91 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 0.73 0.00 0.00 0.95 0.00 0.00 34 V 8.76 3.49 1.46 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 0.26 0.00 0.00 0.77 0.00 0.00 35 Y 7.64 3.81 0.00 2.64 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 36 P 0.00 4.50 0.00 2.16 2.14 0.00 3.96 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.90 0.00 37 W 7.50 4.35 0.00 3.55 3.52 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 0.00 38 T 7.21 4.19 4.42 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 1.07 0.00 0.00 39 Q 8.10 4.51 0.00 2.30 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.70 0.00 0.00 0.00 0.00 0.00 2.48 2.50 0.00 40 R 7.68 3.63 0.00 1.56 1.98 0.00 3.09 0.00 0.00 2.65 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.50 0.00 41 F 7.18 4.14 0.00 1.51 2.46 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 0.00 0.00 0.00 0.00 42 F 8.13 4.59 0.00 2.88 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 0.00 0.00 0.00 0.00 43 E 8.34 4.36 0.00 1.94 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 2.32 2.26 0.00 44 S 7.92 4.70 0.00 4.11 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 45 F 8.11 4.72 0.00 3.17 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 46 G 7.52 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.71 4.50 0.00 2.66 2.62 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 48 L 8.42 4.85 0.00 1.73 1.60 1.09 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.05 4.32 0.00 4.03 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 50 T 7.34 4.73 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 51 P 0.00 4.24 0.00 2.15 2.11 0.00 3.58 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.16 0.00 52 D 8.01 4.27 0.00 2.67 2.70 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 53 A 8.38 3.98 1.51 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 0.00 0.00 54 V 7.50 3.53 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 0.91 0.00 0.00 0.99 0.00 0.00 55 M 8.12 4.25 0.00 2.00 2.17 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.83 0.00 56 G 8.04 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.20 4.28 0.00 2.92 2.91 0.00 0.00 6.87 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 58 P 0.00 4.26 0.00 2.23 2.24 0.00 3.71 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 59 K 8.15 3.49 0.00 0.97 0.74 0.00 1.45 0.00 0.00 1.38 0.00 0.00 2.85 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.30 1.58 7.81 60 V 7.78 4.14 2.18 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 1.04 0.00 0.00 1.13 0.00 0.00 61 K 7.71 3.90 0.00 1.88 1.78 0.00 1.68 0.00 0.00 1.89 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.47 7.81 62 A 8.19 3.94 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 63 H 9.46 4.02 0.00 3.64 3.51 0.00 5.81 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 64 G 8.56 3.80 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 0.00 0.00 0.00 65 K 7.77 4.14 0.00 2.16 2.06 0.00 1.21 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.62 7.81 66 K 8.04 3.98 0.00 2.05 2.12 0.00 1.38 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.59 1.37 7.81 67 V 7.96 3.57 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 1.11 0.00 0.00 0.99 0.00 0.00 68 L 8.08 4.17 0.00 1.95 1.73 0.74 1.21 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 69 G 8.57 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 70 A 7.94 4.39 1.53 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 71 F 8.56 4.34 0.00 3.09 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 72 S 8.57 4.28 0.00 4.33 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 0.00 73 D 8.73 4.49 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 74 G 7.93 3.67 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 0.00 0.00 0.00 75 L 7.20 3.72 0.00 1.57 1.56 -0.14 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.55 4.23 1.15 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 0.00 0.00 77 H 8.03 4.96 0.00 3.14 3.10 0.00 5.64 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 78 L 7.97 4.09 0.00 1.53 1.65 0.72 0.95 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 79 D 7.65 4.80 0.00 2.62 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 80 N 7.89 4.77 0.00 2.72 2.59 0.00 0.00 7.22 5.97 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 81 L 7.72 4.17 0.00 1.77 1.89 0.88 1.10 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 82 K 8.00 4.12 0.00 1.70 1.72 0.00 1.19 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.31 7.81 83 G 8.04 4.06 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 0.00 0.00 0.00 84 T 7.49 3.71 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 0.00 0.00 0.00 85 F 8.22 4.55 0.00 3.24 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 86 A 8.07 3.82 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 87 T 7.86 4.17 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 1.23 0.00 0.00 88 L 7.92 4.17 0.00 2.00 1.87 1.03 0.81 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 89 S 8.78 4.35 0.00 4.10 4.22 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 90 E 8.34 3.91 0.00 2.20 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 2.36 2.69 0.00 91 L 8.01 3.92 0.00 1.77 1.69 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 92 H 8.23 4.14 0.00 3.79 3.87 0.00 5.87 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 C 8.08 3.53 0.00 1.78 2.65 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 94 D 9.22 4.32 0.00 2.61 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 95 K 7.59 4.34 0.00 1.80 1.81 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.34 1.37 7.81 96 L 8.03 4.00 0.00 1.74 1.66 0.71 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.22 4.22 0.00 3.30 3.43 0.00 5.63 0.00 0.00 0.00 0.00 8.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 8.17 4.43 2.23 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 0.36 0.00 0.00 0.54 0.00 0.00 99 D 8.85 4.31 0.00 2.83 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 0.00 100 P 0.00 2.97 0.00 1.76 1.63 0.00 3.26 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.49 0.00 101 E 8.24 3.85 0.00 2.12 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 2.28 2.39 0.00 102 N 8.33 4.26 0.00 2.53 2.90 0.00 0.00 7.03 7.87 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 0.00 103 F 6.99 4.51 0.00 3.05 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 0.00 104 R 8.33 4.08 0.00 2.05 1.96 0.00 3.30 0.00 0.00 3.28 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 105 L 7.77 3.81 0.00 1.85 1.54 0.84 -0.08 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 0.00 106 L 8.29 4.04 0.00 1.84 1.91 0.95 1.34 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 0.00 107 G 8.46 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 0.00 108 N 8.27 4.45 0.00 3.05 2.97 0.00 0.00 6.69 6.98 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 0.00 109 V 8.15 3.63 2.25 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 0.96 0.00 0.00 1.06 0.00 0.00 110 L 8.54 3.87 0.00 1.67 1.84 0.86 0.71 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 0.00 111 V 7.63 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 1.30 0.00 0.00 1.17 0.00 0.00 112 C 7.68 4.03 0.00 3.21 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 0.00 113 V 8.09 3.53 2.19 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 0.97 0.00 0.00 0.89 0.00 0.00 114 L 7.91 3.88 0.00 0.95 1.00 0.52 1.00 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 0.00 115 A 7.23 3.49 1.28 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 0.00 0.00 116 H 7.90 4.05 0.00 3.10 3.43 0.00 5.78 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 H 8.08 4.09 0.00 3.13 3.29 0.00 5.76 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 8.37 4.70 0.00 3.27 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 0.00 119 G 8.60 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 120 K 8.94 4.06 0.00 1.92 2.04 0.00 1.61 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.52 7.81 121 E 8.18 4.15 0.00 2.33 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 2.42 2.34 0.00 122 F 8.45 4.47 0.00 3.07 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 0.00 123 T 7.25 4.17 4.20 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 1.26 0.00 0.00 124 P 0.00 4.14 0.00 2.15 2.15 0.00 3.58 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.20 0.00 125 P 0.00 4.18 0.00 2.11 2.07 0.00 3.48 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.12 0.00 126 V 7.21 3.55 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 1.08 0.00 0.00 0.90 0.00 0.00 127 Q 7.96 3.50 0.00 1.72 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.46 0.00 0.00 0.00 0.00 0.00 2.42 2.58 0.00 128 A 8.23 3.94 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 0.00 129 A 7.88 3.86 1.27 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 0.00 130 Y 8.19 3.59 0.00 3.43 3.31 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 0.00 131 Q 8.71 4.15 0.00 2.21 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.69 2.62 0.00 132 K 8.32 3.94 0.00 1.87 1.81 0.00 1.61 0.00 0.00 1.54 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.62 7.81 133 V 7.45 3.42 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 0.75 0.00 0.00 0.75 0.00 0.00 134 V 8.49 3.81 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 1.22 0.00 0.00 1.16 0.00 0.00 135 A 8.66 4.06 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 0.00 136 G 8.67 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 0.00 137 V 7.78 3.27 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 0.33 0.00 0.00 0.55 0.00 0.00 138 A 7.79 4.00 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 139 N 8.41 4.24 0.00 2.97 2.90 0.00 0.00 6.99 7.59 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 0.00 140 A 8.09 4.15 1.41 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 0.00 0.00 141 L 7.35 4.39 0.00 1.37 1.49 -0.03 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 142 A 8.19 3.88 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 0.00 143 H 7.71 4.08 0.00 3.35 3.66 0.00 5.71 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 K 8.32 4.57 0.00 1.84 1.82 0.00 1.81 0.00 0.00 1.78 0.00 0.00 3.35 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.50 1.81 7.81 145 Y 8.61 4.00 0.00 3.15 2.97 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 0.00 146 H 8.33 4.45 0.00 3.21 3.23 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.