NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 H 4.8213 8.3027 120.3406 55.5543 31.3565 173.3789 2 L 3.8827 8.8739 128.4373 58.4297 41.9519 178.4345 3 L 4.1303 9.3013 119.5027 57.5944 41.9475 178.9299 4 Q 4.1328 8.4187 118.8181 58.6628 28.6737 178.0764 5 F 4.4471 8.2839 121.2685 61.6528 39.4876 176.8349 6 N 4.1020 8.5759 116.2760 55.8220 38.1528 177.4317 7 K 4.0072 7.9066 120.8691 59.7666 32.3698 178.7084 8 M 4.1595 8.2439 119.0718 58.5870 31.8825 178.8466 9 I 3.5291 7.7223 119.8290 64.0575 37.2033 178.4152 10 K 4.4031 8.1404 121.8369 58.9767 31.8506 178.5235 11 F 4.1111 8.3833 120.0095 61.4373 39.3877 176.7194 12 E 4.0370 8.7126 117.4778 59.0822 29.4988 178.5428 13 T 4.2364 8.1178 106.9566 60.8393 70.3237 175.7753 14 R 3.9010 8.2242 120.0925 56.5351 28.9759 175.7736 *16 K 4.5767 7.4161 116.2985 56.0468 33.4431 174.9253 17 N 4.7369 8.5037 119.1126 52.8148 39.4374 176.0786 18 A 4.1499 8.8839 125.2014 54.8302 18.6539 177.5252 19 I 4.7971 7.6563 115.8756 59.2875 38.4936 173.8095 20 P 4.8227 0.0000 0.0000 62.8212 32.0687 176.6039 21 F 4.2337 7.4484 116.9248 59.4724 39.1604 175.6746 22 Y 4.6539 9.0835 117.1033 58.4550 40.4245 177.2972 23 A 3.8470 7.7932 121.9126 54.5318 18.0358 178.4667 24 F 5.2178 7.5501 111.9455 57.2908 41.3611 173.7461 25 Y 4.3703 7.7478 122.4348 57.8615 39.8130 176.7145 26 G 3.4059 7.1962 114.0717 47.2857 0.0000 173.4756 27 C 4.8915 9.0507 120.0617 56.9293 39.3291 174.5524 28 Y 4.4019 8.6283 117.0462 58.1074 40.2391 176.9218 29 C 4.4600 8.3923 116.8233 59.3800 40.8323 175.6090 30 G 4.3333 7.4740 111.2390 46.0164 0.0000 174.0549 *31 W 4.8303 8.4354 117.8735 55.4705 30.4190 172.8002 32 G 4.0368 7.9487 119.7960 44.7571 0.0000 177.4555 33 G 4.2914 9.5751 111.7781 44.7481 0.0000 173.0280 34 R 4.3720 6.7362 117.9347 57.1380 32.2222 175.5814 35 G 4.1271 8.5068 104.9257 45.8115 0.0000 172.5053 36 R 4.8295 8.1781 121.8747 53.4394 31.6077 174.4358 37 P 4.6992 0.0000 0.0000 62.4324 31.6571 177.9036 38 K 3.9028 9.5200 124.6203 59.1217 32.3003 176.1142 39 D 4.3052 7.2557 113.1993 51.4662 42.5178 175.5183 40 A 3.9173 8.5742 120.0339 56.2334 17.8819 179.4892 41 T 3.7509 7.9558 112.9079 67.1833 68.5663 176.0452 42 D 4.5069 8.6212 119.3915 57.4399 41.0708 178.3532 43 R 3.9494 8.5265 119.7346 59.3485 30.0315 177.7872 44 C 4.2663 8.3237 116.6089 60.4004 40.3683 175.5788 45 C 4.1948 8.0938 117.9397 59.5018 40.2027 176.0143 46 F 3.7825 8.1054 122.6629 61.3089 38.9719 177.3621 47 V 3.2722 8.0919 118.1184 66.0265 31.2131 177.5442 48 H 3.8183 8.1237 118.0891 59.1174 29.6949 176.9126 49 D 4.1988 8.0747 120.9143 57.5058 40.6138 178.2028 50 C 4.0171 7.8486 116.9975 60.0109 39.9456 175.1844 51 C 4.0487 8.1312 119.0284 60.1413 42.8777 175.0526 52 Y 4.1927 8.4494 118.6241 60.9399 37.1591 178.6201 53 G 3.6892 8.3386 106.2081 47.4235 0.0000 174.8217 54 K 4.4781 7.4281 117.6831 56.2162 32.4445 176.8540 55 L 4.8961 7.9318 119.6007 53.6351 42.6571 177.6492 56 A 3.9490 8.3948 123.8454 55.2577 18.7650 180.2054 *59 K 4.5295 7.8003 111.8297 56.9899 34.7600 176.0041 *61 C 5.1739 7.5980 116.1814 57.3602 42.1713 172.1568 *67 N 5.1968 8.3563 118.5980 53.4738 38.6805 174.5686 68 T 3.2627 7.6958 111.6608 63.9484 69.3886 176.8149 69 K 3.6625 7.5756 121.0505 57.7593 32.1394 178.2963 70 W 5.0460 7.5998 115.6980 56.5559 30.8616 176.1564 71 D 4.4387 8.1333 119.1160 54.6206 40.6457 175.8437 72 I 4.2644 8.3335 124.7528 59.9786 38.0361 174.7708 73 Y 4.8115 7.7549 126.0667 55.2103 40.3550 173.7524 74 P 5.1799 0.0000 0.0000 62.0947 32.3882 175.0388 75 Y 5.0174 8.0625 119.4715 55.9649 40.9563 173.4253 76 S 4.4831 9.3594 114.3419 56.5782 66.0462 174.1720 77 L 4.4102 8.0942 122.5888 53.8781 43.3647 178.2768 78 K 3.7895 7.4054 119.3516 59.6049 32.0461 178.0401 79 S 4.0350 7.5416 112.6874 59.7553 62.7131 174.9772 80 G 4.3166 8.6783 108.7585 44.9497 0.0000 172.8887 81 Y 5.2977 6.8090 115.6578 55.0391 41.5414 175.0648 82 I 4.1210 8.6941 121.8401 61.7955 38.0618 175.4932 83 T 4.6747 9.0227 124.2453 61.8369 71.6799 172.5191 84 C 4.6709 8.7872 124.1995 56.3065 41.5863 173.2334 *86 G 3.9778 8.5586 110.3382 45.7362 0.0000 172.4925 87 K 4.5815 8.6126 119.8165 56.2556 33.6821 177.7353 88 G 3.9117 8.6551 112.2756 44.6803 0.0000 174.1321 89 T 4.2262 8.9270 115.3360 60.8328 70.9157 175.4249 90 W 4.1426 8.7846 130.8453 60.9287 30.6757 178.5042 91 C 3.9081 8.4766 115.7472 60.2412 40.8838 175.7349 92 E 3.9640 8.1338 119.8752 59.6478 28.9709 179.5411 93 E 3.7894 8.0161 118.3877 59.3000 29.4690 179.3593 94 Q 3.5660 7.7910 118.4200 58.6996 28.5515 178.8571 95 I 3.3967 7.6407 121.0767 64.5227 37.2077 177.5559 96 C 2.7735 7.5385 119.1088 59.1557 42.6940 175.3032 97 E 3.6875 8.1264 121.1369 59.2485 29.1186 177.9604 98 C 4.0648 8.0935 116.8435 60.2851 39.5405 175.8583 99 D 3.5697 8.0959 120.5031 57.1051 40.3477 178.9905 100 R 3.8311 8.2481 119.4258 59.4538 30.0770 178.7199 101 V 3.5374 7.9930 118.1008 65.8845 31.4066 177.8323 102 A 3.9482 8.2920 120.5327 55.0736 18.3719 179.3806 103 A 3.8220 8.4719 119.6512 55.3933 18.4668 179.7607 104 E 3.9011 8.2011 117.0316 59.7185 29.5685 178.6420 105 C 4.1959 8.5239 118.9028 59.8108 41.8477 175.7319 106 L 3.7995 8.0053 120.7655 57.6662 40.8946 179.4419 107 R 3.9718 7.5631 117.5415 59.1104 30.0716 178.3285 108 R 4.1318 7.9109 116.8499 57.9860 30.4864 177.8250 109 S 4.6160 7.5814 113.1802 58.2780 63.1742 175.6064 110 L 4.0154 7.3565 122.3125 58.3079 41.1849 179.2544 111 S 4.2053 8.1842 113.4963 61.0417 62.6940 175.3828 112 T 4.5605 7.5263 108.6684 61.1687 68.6854 173.4262 113 Y 4.0852 8.3465 125.1781 57.9230 39.1621 174.7004 114 K 4.8913 8.5354 126.8943 54.6026 34.1392 176.5332 115 Y 4.1862 9.3855 122.6621 61.2560 37.9667 179.1642 116 G 3.5985 8.0805 106.8812 47.8616 0.0000 173.5205 117 Y 4.3205 7.7006 117.1758 58.4274 38.2272 177.0099 118 M 3.7274 7.6058 120.7865 58.3021 32.2599 176.1453 119 F 4.9697 7.6561 118.7516 55.6794 38.6234 172.5537 120 Y 4.3905 8.2922 123.0439 55.1281 39.7843 173.4122 121 P 4.3641 0.0000 0.0000 62.4739 31.6616 176.6368 122 D 4.2440 8.8950 123.6317 56.2863 39.4753 178.5227 *124 S 4.4288 7.8569 113.6510 58.0491 64.6339 175.2571 125 R 4.1048 7.4262 119.2296 58.9503 30.3896 175.9944 126 C 4.8476 7.3729 111.2734 55.7858 34.8556 173.2455 127 R 4.1862 7.7632 134.1163 55.4967 28.2656 180.8450 128 G 4.2432 9.1528 107.5337 43.2006 0.0000 170.7766 129 P 4.2874 0.0000 0.0000 62.5147 31.2228 176.4191 130 S 4.5337 8.6666 120.4815 58.2645 63.2711 173.9830 131 E 4.2007 8.7879 127.4109 56.3934 29.8409 176.7123 132 T 4.3265 8.5617 117.0265 61.3085 70.2020 175.2382 133 C 4.3480 8.7336 119.5660 57.5351 41.2222 173.7483 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 H 8.30 4.82 0.00 3.29 3.23 0.00 5.67 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 L 8.87 3.88 0.00 1.70 1.91 1.06 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 3 L 9.30 4.13 0.00 1.90 1.78 1.16 0.90 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 4 Q 8.42 4.13 0.00 2.03 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.80 0.00 0.00 0.00 0.00 0.00 2.52 2.31 0.00 5 F 8.28 4.45 0.00 3.27 3.30 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 6 N 8.58 4.10 0.00 2.91 2.83 0.00 0.00 6.70 8.30 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 7 K 7.91 4.01 0.00 2.15 2.08 0.00 1.78 0.00 0.00 1.81 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.57 1.57 7.81 8 M 8.24 4.16 0.00 2.16 2.35 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.48 0.00 9 I 7.72 3.53 1.76 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.01 0.59 0.00 0.00 10 K 8.14 4.40 0.00 2.00 1.87 0.00 1.73 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.65 1.49 7.81 11 F 8.38 4.11 0.00 3.11 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 12 E 8.71 4.04 0.00 1.98 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 2.68 2.74 0.00 13 T 8.12 4.24 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 1.02 0.00 0.00 14 R 8.22 3.90 0.00 1.90 2.05 0.00 3.06 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.46 0.00 *16 K 7.42 4.58 0.00 1.79 1.25 0.00 1.32 0.00 0.00 0.62 0.00 0.00 2.25 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.75 1.30 7.81 17 N 8.50 4.74 0.00 3.07 2.86 0.00 0.00 6.91 7.54 0.00 0.00 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 A 8.88 4.15 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 19 I 7.66 4.80 1.93 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.41 1.06 0.00 0.00 20 P 0.00 4.82 0.00 2.35 2.38 0.00 3.71 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.84 0.00 21 F 7.45 4.23 0.00 3.15 2.53 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 22 Y 9.08 4.65 0.00 2.83 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 23 A 7.79 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 F 7.55 5.22 0.00 3.27 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 25 Y 7.75 4.37 0.00 3.00 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 26 G 7.20 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 0.00 0.00 0.00 27 C 9.05 4.89 0.00 2.87 3.02 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 28 Y 8.63 4.40 0.00 3.32 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 29 C 8.39 4.46 0.00 3.34 3.46 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 30 G 7.47 4.33 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 0.00 *31 W 8.44 4.83 0.00 2.52 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 0.00 0.00 0.00 0.00 32 G 7.95 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 0.00 0.00 0.00 33 G 9.58 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 0.00 0.00 0.00 34 R 6.74 4.37 0.00 1.88 1.86 0.00 2.67 0.00 0.00 2.38 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.33 0.00 35 G 8.51 4.13 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 0.00 0.00 0.00 36 R 8.18 4.83 0.00 1.72 1.79 0.00 3.20 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.49 0.00 37 P 0.00 4.70 0.00 2.02 1.95 0.00 3.39 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.35 0.00 38 K 9.52 3.90 0.00 0.82 0.74 0.00 1.77 0.00 0.00 1.65 0.00 0.00 3.41 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.21 0.56 7.81 39 D 7.26 4.31 0.00 2.73 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 40 A 8.57 3.92 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 41 T 7.96 3.75 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 0.61 0.00 0.00 42 D 8.62 4.51 0.00 2.99 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 43 R 8.53 3.95 0.00 2.01 2.10 0.00 3.09 0.00 0.00 3.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 44 C 8.32 4.27 0.00 3.14 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 45 C 8.09 4.19 0.00 3.23 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 46 F 8.11 3.78 0.00 2.84 3.05 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 47 V 8.09 3.27 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 0.85 0.00 0.00 0.99 0.00 0.00 48 H 8.12 3.82 0.00 3.21 3.26 0.00 5.65 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 8.07 4.20 0.00 2.64 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 50 C 7.85 4.02 0.00 2.76 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 51 C 8.13 4.05 0.00 2.93 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 52 Y 8.45 4.19 0.00 3.01 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.34 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 54 K 7.43 4.48 0.00 1.84 1.88 0.00 1.61 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.62 7.81 55 L 7.93 4.90 0.00 1.47 1.48 0.60 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 56 A 8.39 3.95 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 K 7.80 4.53 0.00 2.01 2.14 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.52 1.60 7.81 *61 C 7.60 5.17 0.00 3.03 3.02 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 *67 N 8.36 5.20 0.00 2.77 3.19 0.00 0.00 7.42 7.22 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 68 T 7.70 3.26 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 0.72 0.00 0.00 69 K 7.58 3.66 0.00 0.79 0.74 0.00 1.37 0.00 0.00 1.31 0.00 0.00 2.85 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.29 1.17 7.81 70 W 7.60 5.05 0.00 3.39 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 71 D 8.13 4.44 0.00 2.82 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 72 I 8.33 4.26 1.88 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 1.43 0.77 0.86 0.00 0.00 73 Y 7.75 4.81 0.00 3.04 3.01 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 74 P 0.00 5.18 0.00 1.87 1.86 0.00 3.78 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 1.88 1.57 0.00 75 Y 8.06 5.02 0.00 3.12 3.01 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 76 S 9.36 4.48 0.00 3.70 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 77 L 8.09 4.41 0.00 1.34 0.63 0.75 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 78 K 7.41 3.79 0.00 1.62 1.71 0.00 1.64 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.40 7.81 79 S 7.54 4.04 0.00 2.83 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 80 G 8.68 4.32 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 0.00 81 Y 6.81 5.30 0.00 2.99 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 82 I 8.69 4.12 2.10 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.63 0.95 0.00 0.00 83 T 9.02 4.67 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 1.22 0.00 0.00 84 C 8.79 4.67 0.00 2.80 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 *86 G 8.56 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 87 K 8.61 4.58 0.00 1.77 1.76 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.07 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.44 7.81 88 G 8.66 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 0.00 89 T 8.93 4.23 4.34 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 1.26 0.00 0.00 90 W 8.78 4.14 0.00 3.40 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 91 C 8.48 3.91 0.00 3.07 3.10 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 0.00 0.00 0.00 0.00 92 E 8.13 3.96 0.00 2.18 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 0.00 2.41 2.41 0.00 93 E 8.02 3.79 0.00 1.97 1.83 0.00 0.00 0.00 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 2.54 0.00 94 Q 7.79 3.57 0.00 1.34 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 95 I 7.64 3.40 1.80 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 0.99 0.62 0.89 0.00 0.00 96 C 7.54 2.77 0.00 1.43 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 97 E 8.13 3.69 0.00 2.04 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 2.18 2.27 0.00 98 C 8.09 4.06 0.00 3.16 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 99 D 8.10 3.57 0.00 2.63 2.75 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 0.00 100 R 8.25 3.83 0.00 1.79 1.98 0.00 3.29 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 101 V 7.99 3.54 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 0.97 0.00 0.00 0.93 0.00 0.00 102 A 8.29 3.95 1.47 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 0.00 0.00 0.00 103 A 8.47 3.82 1.45 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 0.00 0.00 104 E 8.20 3.90 0.00 2.33 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 2.36 2.40 0.00 105 C 8.52 4.20 0.00 3.05 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 0.00 106 L 8.01 3.80 0.00 1.55 1.13 0.23 0.85 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 0.00 107 R 7.56 3.97 0.00 1.78 2.08 0.00 3.21 0.00 0.00 3.43 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.76 0.00 108 R 7.91 4.13 0.00 1.96 1.96 0.00 3.18 0.00 0.00 3.21 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.86 0.00 109 S 7.58 4.62 0.00 3.97 3.94 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 0.00 110 L 7.36 4.02 0.00 1.71 1.72 0.84 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 111 S 8.18 4.21 0.00 3.86 3.99 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 0.00 112 T 7.53 4.56 4.33 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 1.26 0.00 0.00 113 Y 8.35 4.09 0.00 2.96 2.92 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 0.00 114 K 8.54 4.89 0.00 1.82 1.62 0.00 1.83 0.00 0.00 1.65 0.00 0.00 3.10 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.75 7.81 115 Y 9.39 4.19 0.00 3.10 3.18 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 0.00 116 G 8.08 3.60 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 0.00 0.00 0.00 117 Y 7.70 4.32 0.00 1.93 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 0.00 118 M 7.61 3.73 0.00 1.67 2.15 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 1.38 0.00 119 F 7.66 4.97 0.00 3.05 2.92 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 0.00 120 Y 8.29 4.39 0.00 3.02 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 0.00 121 P 0.00 4.36 0.00 2.15 2.08 0.00 2.97 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 122 D 8.89 4.24 0.00 2.84 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 *124 S 7.86 4.43 0.00 3.88 3.99 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 0.00 125 R 7.43 4.10 0.00 1.64 1.87 0.00 3.03 0.00 0.00 3.08 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.44 0.00 126 C 7.37 4.85 0.00 3.20 3.30 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 0.00 127 R 7.76 4.19 0.00 1.91 1.12 0.00 3.36 0.00 0.00 3.35 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 128 G 9.15 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 0.00 0.00 0.00 0.00 129 P 0.00 4.29 0.00 2.21 2.12 0.00 3.79 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 130 S 8.67 4.53 0.00 3.89 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 0.00 131 E 8.79 4.20 0.00 1.79 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 2.28 2.16 0.00 132 T 8.56 4.33 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 1.26 0.00 0.00 133 C 8.73 4.35 0.00 2.92 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 * Residues marked with a * may have inaccurate shift predictions.