NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *3 V 3.9959 8.0549 117.9084 60.3415 33.5825 175.7114 4 I 4.1438 7.8069 122.7727 58.3617 37.0204 173.1791 5 N 5.1106 8.4791 120.8044 51.0271 39.5708 173.9427 6 T 4.6157 7.6163 109.4906 60.5056 72.1673 175.0773 7 F 4.1649 8.4581 120.6272 61.1681 38.9299 177.8310 8 D 4.5283 8.3049 117.7027 57.2989 40.7040 178.8387 9 G 3.6833 8.1018 106.2239 48.0534 0.0000 175.9495 10 V 3.6208 8.3254 121.4563 65.1785 31.4726 177.8097 11 A 4.0663 8.1742 120.6587 55.4603 17.9625 179.2293 12 D 4.3458 8.8871 117.5481 57.7039 40.8083 178.5644 13 Y 4.1318 8.4463 120.2281 60.8191 38.9392 178.1844 14 L 4.0988 8.4209 120.2754 57.9424 41.4728 179.5652 15 Q 3.8249 7.6856 116.6673 59.3429 28.6452 177.4597 16 T 3.7092 7.2740 115.3710 65.5271 68.4219 175.9540 17 Y 3.8710 7.3244 122.4815 59.2955 38.1523 176.6518 18 H 3.6465 8.3091 114.4250 55.3468 25.9658 174.0883 19 K 4.6436 7.1303 113.2948 55.9657 35.3732 174.9802 20 L 4.1462 8.2205 119.7724 53.2994 42.4191 175.3864 21 P 3.8264 0.0000 0.0000 62.7108 31.8061 177.7431 *22 D 4.4847 8.4548 118.1277 55.5563 39.7721 177.7112 23 N 4.6490 7.9697 113.8832 53.8037 38.1549 173.6538 24 Y 5.1460 7.6266 117.5794 56.6529 40.7733 174.7470 25 I 5.1428 8.4240 115.2410 59.4024 41.6596 174.9097 26 T 4.6341 9.0727 114.7848 61.0779 70.2898 175.8540 27 K 4.0184 9.2423 122.0704 59.6577 31.9923 179.8562 28 S 4.2222 8.1341 114.0177 61.6037 62.4347 176.2772 29 E 3.9784 8.0033 121.2711 58.9489 29.1947 179.2209 30 A 4.0417 8.0660 120.8027 55.3685 18.5301 179.6881 31 Q 4.1393 8.8069 116.8156 59.1976 28.5718 179.0097 32 A 4.1367 8.0179 120.7806 54.5198 18.4928 178.6953 33 L 4.3917 7.3692 114.6119 54.9826 42.0323 177.5691 34 G 4.0410 7.7776 107.6843 44.7026 0.0000 173.6877 35 W 4.3778 8.0609 130.1098 57.2312 31.1087 175.7753 36 V 3.7288 8.7827 125.5360 60.3876 31.9686 175.2738 37 A 3.6542 7.3308 131.0020 55.3160 18.0894 179.7933 38 S 4.4606 7.8745 109.2873 60.6593 63.0033 175.0839 39 K 4.3227 8.0104 118.1904 55.2301 33.1101 176.1494 40 G 3.1787 6.9917 107.2450 46.3635 0.0000 173.4220 41 N 4.8169 7.8168 111.5335 52.3502 38.3895 176.3086 42 L 3.9155 8.4427 122.6778 59.0838 41.2562 178.8345 43 A 4.0214 8.1110 119.7856 55.3164 18.0921 179.2118 44 D 4.3594 8.0779 116.7646 57.1827 41.0139 178.6829 45 V 4.1128 7.7802 110.5453 62.0152 33.6697 176.6799 46 A 4.6694 8.1140 121.3917 49.5539 19.7443 173.0083 47 P 4.4500 0.0000 0.0000 62.8298 32.1901 177.5058 48 G 3.8414 8.8715 110.2645 45.5333 0.0000 172.9647 49 K 4.6865 7.6245 118.3491 54.9318 34.3627 176.0143 50 S 4.5203 8.3617 117.2470 56.4813 67.6020 173.5328 51 I 4.3039 7.9159 123.2870 61.4820 37.8882 175.3351 52 G 4.2678 9.3704 112.5493 46.7691 0.0000 173.9128 53 G 4.3451 9.7074 110.2187 44.3828 0.0000 173.8429 54 D 4.7840 7.8358 119.4790 53.4992 42.6160 175.8924 55 I 4.2370 8.3657 122.5117 61.6591 37.8489 175.0340 56 F 4.7746 8.7316 129.5758 56.7890 40.1345 175.9242 57 S 3.9731 7.9575 122.5800 60.5807 63.0453 174.6567 58 N 4.0482 6.9034 118.9081 55.0994 36.6342 176.7049 *59 R 3.9695 7.8111 116.3760 58.1373 29.6437 179.6649 60 E 4.3960 8.1208 113.3291 55.7975 30.0414 175.8075 61 G 4.0000 7.7593 107.1276 46.5006 0.0000 174.6760 62 K 4.2922 8.1807 116.8972 56.7117 32.8804 177.2507 63 L 4.2515 7.1346 118.0880 51.2852 44.8258 174.5241 64 P 4.2014 0.0000 0.0000 62.9034 31.7597 176.6827 65 G 3.7962 8.6912 111.7469 45.8833 0.0000 172.5767 66 K 4.6280 8.2998 121.8036 54.0374 36.5907 176.0398 67 S 4.2801 8.7494 114.1341 58.9264 63.7482 177.1353 68 G 3.8888 7.4241 111.4497 48.2412 0.0000 176.8605 69 R 4.6734 7.5162 118.1069 55.5562 31.1911 177.1001 70 C 4.3279 8.4687 116.1264 57.1708 41.9027 173.5850 71 W 5.2959 7.7834 120.1789 55.0437 31.1385 175.3876 72 R 5.2287 8.8831 122.3724 54.3538 34.4311 173.7807 73 E 5.9058 9.2871 117.3668 53.9380 33.6782 174.3348 74 A 5.0518 8.2974 120.0989 50.6062 22.8212 175.3152 75 D 4.9943 9.3313 121.8642 54.4184 41.5802 176.1001 76 I 4.4204 8.2053 122.6900 60.0424 40.5740 175.6149 77 N 4.2877 9.1531 121.5034 54.3586 36.5718 173.5808 78 Y 4.4548 7.2838 119.2680 56.9099 39.9225 174.2782 79 T 4.0935 7.1085 114.8950 62.4599 70.6433 173.6941 80 S 4.1580 7.0326 113.2119 57.4929 65.7378 175.0197 81 G 3.7937 8.4902 107.9803 44.6789 0.0000 173.3769 82 F 4.3452 8.6096 117.3463 57.2824 39.5960 175.4503 83 R 4.3162 8.7409 121.9827 56.5237 30.7016 176.6684 84 N 5.0650 8.4744 117.9121 52.0504 39.9887 174.7445 85 S 4.1106 8.4057 112.6840 58.6471 64.7947 172.9560 86 D 5.3879 8.0997 122.0460 53.8582 42.0225 175.8069 87 R 5.1463 9.3547 121.9671 54.6103 35.3395 173.7299 88 I 5.1033 8.9846 122.0747 59.3694 41.0857 174.1181 89 L 5.4642 9.7585 129.7208 53.1031 44.4120 174.9688 90 Y 5.7301 8.8994 122.1421 55.3658 41.4209 175.5749 91 S 4.5031 8.4593 117.6863 56.1843 65.1391 174.3685 92 C 3.7598 8.0415 116.6447 58.3709 40.0185 174.3497 93 D 4.5401 7.1687 117.3674 52.0106 39.3513 175.8081 94 W 3.7502 6.7799 117.6392 58.1627 27.0495 174.2151 95 L 4.5326 8.5105 118.5753 54.5778 42.8373 176.4877 96 I 5.3461 8.6733 124.0997 59.9195 40.0849 174.3371 97 Y 5.3157 9.8232 124.2927 55.9776 42.2623 174.6657 98 K 5.3350 9.0653 119.7183 55.6560 36.5817 174.9544 99 T 4.8668 9.0699 115.6146 60.4698 70.8896 174.0383 100 T 4.8466 8.4533 116.5468 61.2751 69.4069 173.3830 101 D 4.6675 7.3604 120.1236 53.8454 40.5731 174.8799 102 H 3.4889 8.3949 111.8443 58.6613 26.1066 175.3486 103 Y 3.1820 7.2049 110.0452 59.0050 36.1658 172.2679 104 Q 4.1494 7.7382 119.1762 58.5042 28.9684 176.7113 105 T 4.6223 8.2391 105.6427 59.5688 71.7766 172.9194 106 F 5.4352 8.5607 120.8017 56.0983 42.8338 174.4221 107 T 4.9051 8.7643 111.0823 59.5608 72.3330 173.1287 108 K 3.7090 8.7439 125.7365 56.5303 32.2993 176.2620 109 I 4.5370 8.7931 118.7332 60.6048 39.9215 175.7300 110 R 4.1809 7.5736 126.5379 56.5523 31.1221 174.5281 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 V 8.05 4.00 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 0.83 0.00 0.00 0.85 0.00 0.00 4 I 7.81 4.14 1.69 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.04 0.88 0.00 0.00 5 N 8.48 5.11 0.00 2.75 2.82 0.00 0.00 6.41 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 6 T 7.62 4.62 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 1.20 0.00 0.00 7 F 8.46 4.16 0.00 3.17 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 8 D 8.30 4.53 0.00 2.76 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 9 G 8.10 3.68 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 0.00 0.00 0.00 10 V 8.33 3.62 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 0.91 0.00 0.00 1.02 0.00 0.00 11 A 8.17 4.07 1.52 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 0.00 0.00 12 D 8.89 4.35 0.00 2.87 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 Y 8.45 4.13 0.00 3.14 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 14 L 8.42 4.10 0.00 1.94 1.75 0.64 0.28 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 15 Q 7.69 3.82 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.97 0.00 0.00 0.00 0.00 0.00 2.44 2.60 0.00 16 T 7.27 3.71 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 0.25 0.00 0.00 17 Y 7.32 3.87 0.00 2.57 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 18 H 8.31 3.65 0.00 3.20 3.30 0.00 5.81 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.13 4.64 0.00 2.02 1.89 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.65 1.62 7.81 20 L 8.22 4.15 0.00 1.62 1.43 0.87 0.32 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 21 P 0.00 3.83 0.00 2.18 1.03 0.00 3.37 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.14 0.00 *22 D 8.45 4.48 0.00 2.72 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 23 N 7.97 4.65 0.00 2.75 2.89 0.00 0.00 6.15 7.57 0.00 0.00 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 Y 7.63 5.15 0.00 2.98 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 25 I 8.42 5.14 1.84 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.00 0.92 0.00 0.00 26 T 9.07 4.63 4.57 0.00 0.00 0.00 0.00 0.00 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 27 K 9.24 4.02 0.00 1.97 2.18 0.00 1.97 0.00 0.00 1.94 0.00 0.00 3.10 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.62 1.66 7.81 28 S 8.13 4.22 0.00 4.10 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 29 E 8.00 3.98 0.00 2.21 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 2.36 2.36 0.00 30 A 8.07 4.04 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 31 Q 8.81 4.14 0.00 2.40 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.42 2.89 0.00 32 A 8.02 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 33 L 7.37 4.39 0.00 1.71 1.75 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 34 G 7.78 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 35 W 8.06 4.38 0.00 3.22 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 36 V 8.78 3.73 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 0.87 0.00 0.00 0.90 0.00 0.00 37 A 7.33 3.65 0.85 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 0.00 0.00 38 S 7.87 4.46 0.00 3.84 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 39 K 8.01 4.32 0.00 1.79 1.79 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.33 7.81 40 G 6.99 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 0.00 0.00 0.00 41 N 7.82 4.82 0.00 2.89 3.02 0.00 0.00 5.70 6.67 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 42 L 8.44 3.92 0.00 1.29 1.67 0.27 0.37 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 43 A 8.11 4.02 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 44 D 8.08 4.36 0.00 2.82 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 45 V 7.78 4.11 2.34 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 0.93 0.00 0.00 1.10 0.00 0.00 46 A 8.11 4.67 1.17 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 47 P 0.00 4.45 0.00 2.02 2.01 0.00 3.78 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.05 0.00 48 G 8.87 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 0.00 0.00 0.00 49 K 7.62 4.69 0.00 1.60 1.57 0.00 1.60 0.00 0.00 1.72 0.00 0.00 2.71 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.47 7.81 50 S 8.36 4.52 0.00 3.03 3.48 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 0.00 51 I 7.92 4.30 1.65 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 0.57 0.25 0.85 0.00 0.00 52 G 9.37 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 0.00 0.00 0.00 0.00 53 G 9.71 4.35 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 0.00 54 D 7.84 4.78 0.00 2.70 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 55 I 8.37 4.24 1.88 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.75 0.96 0.00 0.00 56 F 8.73 4.77 0.00 2.99 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 57 S 7.96 3.97 0.00 3.58 3.68 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 58 N 6.90 4.05 0.00 2.91 2.88 0.00 0.00 7.30 7.65 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 *59 R 7.81 3.97 0.00 1.87 1.84 0.00 3.30 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 1.55 1.22 0.00 60 E 8.12 4.40 0.00 2.24 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 1.86 0.00 61 G 7.76 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 0.00 0.00 0.00 62 K 8.18 4.29 0.00 1.89 2.13 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.56 1.58 7.81 63 L 7.13 4.25 0.00 0.91 0.46 -0.95 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.20 0.00 2.28 2.14 0.00 3.23 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.16 0.00 65 G 8.69 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 66 K 8.30 4.63 0.00 1.35 1.35 0.00 1.42 0.00 0.00 1.61 0.00 0.00 2.99 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.50 0.35 7.81 67 S 8.75 4.28 0.00 3.94 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 68 G 7.42 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 69 R 7.52 4.67 0.00 1.72 1.86 0.00 3.20 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.58 0.00 70 C 8.47 4.33 0.00 2.97 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 71 W 7.78 5.30 0.00 3.48 3.06 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 72 R 8.88 5.23 0.00 0.67 1.42 0.00 3.12 0.00 0.00 3.49 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.34 0.00 73 E 9.29 5.91 0.00 2.15 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.21 0.00 74 A 8.30 5.05 0.99 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 0.00 0.00 75 D 9.33 4.99 0.00 2.66 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 76 I 8.21 4.42 1.26 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.67 -0.26 0.00 0.00 77 N 9.15 4.29 0.00 2.77 2.87 0.00 0.00 6.87 7.14 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 78 Y 7.28 4.45 0.00 2.92 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 T 7.11 4.09 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 1.06 0.00 0.00 80 S 7.03 4.16 0.00 3.87 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 81 G 8.49 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 F 8.61 4.35 0.00 3.19 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 83 R 8.74 4.32 0.00 1.99 1.95 0.00 3.06 0.00 0.00 3.53 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.65 0.00 84 N 8.47 5.07 0.00 2.85 2.96 0.00 0.00 5.99 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 S 8.41 4.11 0.00 3.76 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 D 8.10 5.39 0.00 2.87 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 87 R 9.35 5.15 0.00 1.52 1.78 0.00 3.56 0.00 0.00 3.19 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.01 0.00 88 I 8.98 5.10 2.05 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.89 1.10 0.00 0.00 89 L 9.76 5.46 0.00 1.49 1.13 1.01 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 90 Y 8.90 5.73 0.00 3.19 3.23 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 91 S 8.46 4.50 0.00 3.03 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 92 C 8.04 3.76 0.00 2.62 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 93 D 7.17 4.54 0.00 2.70 2.58 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 94 W 6.78 3.75 0.00 3.59 3.45 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 95 L 8.51 4.53 0.00 1.78 1.98 1.13 1.07 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 96 I 8.67 5.35 1.99 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.17 1.12 0.00 0.00 97 Y 9.82 5.32 0.00 2.81 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 98 K 9.07 5.34 0.00 1.63 1.82 0.00 0.61 0.00 0.00 0.99 0.00 0.00 2.53 0.00 0.00 2.50 0.00 0.00 0.00 0.00 1.23 1.12 7.81 99 T 9.07 4.87 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 1.02 0.00 0.00 100 T 8.45 4.85 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 1.25 0.00 0.00 101 D 7.36 4.67 0.00 2.70 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 0.00 102 H 8.39 3.49 0.00 3.44 3.47 0.00 5.79 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 Y 7.20 3.18 0.00 3.23 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 0.00 104 Q 7.74 4.15 0.00 2.35 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.66 0.00 0.00 0.00 0.00 0.00 2.41 2.58 0.00 105 T 8.24 4.62 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 1.17 0.00 0.00 106 F 8.56 5.44 0.00 2.85 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 0.00 107 T 8.76 4.91 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 1.23 0.00 0.00 108 K 8.74 3.71 0.00 1.41 1.57 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.78 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.16 0.85 7.81 109 I 8.79 4.54 1.85 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.90 0.79 0.00 0.00 110 R 7.57 4.18 0.00 1.87 1.94 0.00 3.46 0.00 0.00 3.40 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 * Residues marked with a * may have inaccurate shift predictions.