NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 T 4.1471 8.0285 115.2426 61.4482 68.8215 174.4412 12 A 3.7997 8.3134 126.2481 54.8914 18.2229 178.6039 13 I 3.6499 8.4499 119.1694 64.4952 37.6481 176.7712 14 E 3.9565 8.0370 118.9653 59.3104 29.3901 179.1710 15 K 4.0989 8.2965 120.7653 58.6523 32.2544 178.6756 16 A 3.7608 7.9641 121.2172 55.2290 18.3569 179.7133 17 L 4.2149 8.0470 117.2729 57.7306 41.4569 179.6439 18 D 4.4255 7.9537 119.1712 57.4169 40.6092 178.3733 19 F 4.5990 7.8621 116.8530 61.2024 39.0921 177.6564 20 I 4.0573 7.8571 117.6031 64.3423 36.9778 178.5558 21 G 3.8324 8.2393 105.6819 46.6015 0.0000 174.3675 22 G 3.9490 7.7091 108.6436 44.0198 0.0000 174.6420 *24 N 4.3430 7.7369 117.4605 52.9932 39.7767 174.2948 25 T 2.0000 6.9178 111.6683 63.2761 69.2956 177.5340 26 S 4.0613 7.5262 116.8764 60.4715 63.2176 174.4299 27 A 4.1813 7.3051 123.7582 51.8387 18.6839 177.8492 28 S 4.4179 8.7462 118.1556 60.0376 63.2283 174.7204 29 V 4.3176 7.5165 119.6306 59.9627 32.5907 173.1812 30 P 4.5188 0.0000 0.0000 63.1504 31.9792 176.3112 31 H 4.5534 8.5984 118.6420 55.7453 29.4410 176.4134 32 S 4.0344 8.7376 117.2516 60.1035 63.4749 176.3163 *34 D 4.5334 8.2097 122.2442 54.5254 42.7211 177.5570 35 E 3.5693 8.6158 119.5396 59.4421 29.6131 178.9555 36 S 3.9974 8.0848 115.2348 61.9984 62.8353 177.0599 37 T 4.0218 7.8207 117.6204 66.3662 68.3697 176.7283 38 A 4.0171 8.3556 123.1577 55.1897 18.3961 179.8507 39 K 3.8784 8.0854 117.5645 59.3040 31.9145 179.8402 40 G 3.1845 7.8021 105.9714 47.6233 0.0000 175.7034 41 I 3.2643 7.2356 122.5698 63.8291 37.1392 178.5562 42 L 3.9694 7.7985 119.5804 57.7284 41.5141 179.5279 43 K 3.9177 8.2068 119.8317 59.5323 32.2076 178.1456 44 Y 4.1721 8.1943 120.0610 60.9072 38.7146 178.1647 45 L 3.9094 8.0175 119.9107 57.8833 41.6659 179.0027 46 H 4.0438 8.2426 118.3373 59.4000 29.6036 177.1614 47 D 4.4251 8.0387 119.5899 56.8719 40.7042 177.8204 48 L 4.1964 7.2626 116.9458 54.7234 41.8104 177.6838 49 G 3.8670 7.9626 107.5520 45.4127 0.0000 174.6551 50 V 4.3095 7.4681 119.4604 59.5224 31.1442 173.1528 51 P 4.2891 0.0000 0.0000 62.1824 32.1645 177.4980 52 V 4.1559 8.0404 120.8287 60.9974 31.4153 176.1502 53 S 4.3576 8.2736 122.8671 57.7168 64.9053 173.2335 54 P 4.2750 0.0000 0.0000 65.5634 30.9972 178.8964 55 E 3.9442 8.0926 116.4090 59.3435 29.5595 179.2003 56 V 3.5431 7.6872 118.8449 65.1853 31.4058 178.3931 57 V 3.5838 7.4015 118.3925 65.9780 31.4272 178.1239 58 V 3.4783 8.0311 118.1007 65.8135 31.3475 177.6540 59 A 3.8650 8.1405 120.7496 55.2274 18.2146 179.6139 60 R 3.6773 7.6122 117.1810 59.3598 30.0726 178.9015 61 G 2.5861 7.5715 105.7595 47.3923 0.0000 175.5826 62 E 3.8565 8.1122 121.0740 59.1898 29.2650 178.7383 63 Q 3.9304 7.5945 118.3232 59.5069 29.2382 177.9423 64 E 4.1976 7.8932 117.8089 56.1274 30.2302 176.7333 65 G 3.8187 7.4983 107.1248 46.3021 0.0000 173.8926 66 W 4.5129 7.9693 118.2865 55.5962 30.0667 176.1677 67 N 4.4663 8.8950 119.0088 53.0684 38.6267 173.6817 68 P 4.3158 0.0000 0.0000 66.4110 30.7975 177.9342 69 E 3.9809 8.2152 118.3336 58.7316 29.6119 178.4463 70 F 4.0557 8.4838 121.2094 61.5532 39.4950 177.2365 71 T 4.1101 8.2844 114.9666 66.6494 68.3231 176.1551 72 K 3.8186 8.1088 121.4065 59.4004 32.1658 179.0483 73 K 3.2594 7.2929 118.5400 59.1985 31.8916 179.6194 74 V 3.3490 6.9863 118.1410 65.7375 31.4810 177.9406 75 A 4.1138 8.3027 121.2579 54.9678 18.1744 179.8755 76 G 3.4700 7.8342 104.2464 47.4025 0.0000 176.1044 77 W 4.4799 7.7679 121.0812 59.6043 29.0988 178.5593 78 A 4.1189 8.2374 120.7627 54.8120 17.7305 179.3939 79 E 3.8874 8.0692 118.0307 59.3787 29.5241 179.1045 80 K 4.0148 7.7443 117.1478 59.3456 32.5042 179.2762 81 V 3.6495 8.0113 118.3149 65.9882 31.3333 178.0199 82 A 4.1452 8.0390 119.0760 54.5313 18.2405 179.3188 83 S 4.2292 7.7839 112.3823 59.9008 63.2359 175.5620 84 G 3.9175 7.9840 110.0441 45.0547 0.0000 173.2243 85 N 4.6999 7.5350 116.8328 52.2200 39.6247 174.9634 86 R 4.2859 8.1222 118.3237 55.9088 31.0317 176.1538 87 I 4.5383 7.8035 119.0833 58.8800 40.9793 174.5257 88 L 4.1551 8.3965 128.3911 54.4065 42.4539 176.1413 89 I 4.2360 7.9898 126.6039 59.0334 38.4546 175.0141 90 K 3.9755 8.7644 126.5242 59.1328 32.0970 177.3851 91 N 4.9707 7.8398 118.3752 49.8741 39.0178 173.1229 92 P 4.3380 0.0000 0.0000 65.1487 31.7826 179.3445 93 E 3.9790 8.0171 115.9840 58.9802 29.4419 177.7559 94 Y 4.1768 7.3285 116.9714 60.3676 37.9431 176.1056 95 F 4.6921 8.0006 122.2247 56.5534 38.1193 175.2115 96 S 4.2379 8.1095 121.7612 57.8921 63.8396 175.1049 97 T 3.6571 8.2047 117.8742 66.8373 68.5331 176.3446 98 Y 3.9528 7.3744 117.6471 58.9883 38.6686 177.1599 *100 Q 3.8039 8.1252 119.8001 55.8815 30.7293 177.1415 101 E 3.9881 8.2352 117.5203 59.1836 29.2776 179.3172 102 Q 3.8479 8.0158 119.8806 59.1111 29.1130 178.2400 103 L 4.0843 7.9472 119.6064 57.6165 41.8207 179.0882 104 K 4.0418 8.6910 120.1127 59.5439 32.2520 178.3641 105 E 3.9477 8.2910 119.4376 59.4073 29.3674 178.8526 106 L 4.0096 7.7145 117.7321 57.6486 42.0361 179.4035 107 V 3.6849 7.9827 118.2622 66.0923 31.3089 178.1882 108 L 4.0894 7.8246 117.3739 57.4791 41.4791 178.3075 109 E 4.3095 7.8968 115.9490 57.0017 29.4995 176.1471 110 H 4.4910 8.0352 120.2744 56.4183 29.3453 173.4841 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 11 T 8.03 4.15 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 1.30 0.00 0.00 12 A 8.31 3.80 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 13 I 8.45 3.65 1.86 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 1.64 0.88 0.92 0.00 0.00 14 E 8.04 3.96 0.00 2.13 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 2.39 2.36 0.00 15 K 8.30 4.10 0.00 1.83 1.64 0.00 1.59 0.00 0.00 1.71 0.00 0.00 3.22 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.29 0.46 7.81 16 A 7.96 3.76 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 17 L 8.05 4.21 0.00 1.94 1.88 0.94 0.99 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 18 D 7.95 4.43 0.00 2.84 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 19 F 7.86 4.60 0.00 3.26 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 20 I 7.86 4.06 2.24 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.93 0.87 0.00 0.00 21 G 8.24 3.83 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 0.00 0.00 0.00 22 G 7.71 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 0.00 0.00 0.00 *24 N 7.74 4.34 0.00 2.69 2.56 0.00 0.00 6.80 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 25 T 6.92 2.00 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 -0.05 0.00 0.00 26 S 7.53 4.06 0.00 3.78 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 27 A 7.31 4.18 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 28 S 8.75 4.42 0.00 3.90 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 29 V 7.52 4.32 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 0.91 0.00 0.00 0.96 0.00 0.00 30 P 0.00 4.52 0.00 2.45 2.29 0.00 3.82 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.19 0.00 31 H 8.60 4.55 0.00 3.34 3.16 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 32 S 8.74 4.03 0.00 3.83 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 *34 D 8.21 4.53 0.00 3.01 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 35 E 8.62 3.57 0.00 2.04 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 1.69 1.47 0.00 36 S 8.08 4.00 0.00 4.08 4.16 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 37 T 7.82 4.02 4.28 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 1.33 0.00 0.00 38 A 8.36 4.02 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 39 K 8.09 3.88 0.00 1.51 1.60 0.00 1.13 0.00 0.00 1.31 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.65 0.42 7.81 40 G 7.80 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 I 7.24 3.26 2.02 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.58 1.04 0.00 0.00 42 L 7.80 3.97 0.00 1.84 1.74 1.10 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 43 K 8.21 3.92 0.00 1.77 1.83 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.63 1.45 7.81 44 Y 8.19 4.17 0.00 3.25 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 45 L 8.02 3.91 0.00 1.78 1.98 0.96 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 46 H 8.24 4.04 0.00 3.33 3.42 0.00 5.59 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 47 D 8.04 4.43 0.00 2.74 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 48 L 7.26 4.20 0.00 1.56 1.55 0.75 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 49 G 7.96 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 0.00 0.00 0.00 50 V 7.47 4.31 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 0.84 0.00 0.00 0.89 0.00 0.00 51 P 0.00 4.29 0.00 2.24 1.99 0.00 3.80 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.91 0.00 52 V 8.04 4.16 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 0.92 0.00 0.00 0.96 0.00 0.00 53 S 8.27 4.36 0.00 4.26 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 54 P 0.00 4.27 0.00 2.17 2.27 0.00 3.60 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.21 0.00 55 E 8.09 3.94 0.00 2.14 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 0.00 2.35 2.29 0.00 56 V 7.69 3.54 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 0.98 0.00 0.00 0.92 0.00 0.00 57 V 7.40 3.58 2.33 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 1.15 0.00 0.00 1.09 0.00 0.00 58 V 8.03 3.48 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 0.98 0.00 0.00 0.99 0.00 0.00 59 A 8.14 3.86 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 60 R 7.61 3.68 0.00 1.86 1.77 0.00 3.00 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.17 0.00 61 G 7.57 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 0.00 0.00 0.00 62 E 8.11 3.86 0.00 2.04 1.92 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 2.27 2.40 0.00 63 Q 7.59 3.93 0.00 2.02 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.95 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 64 E 7.89 4.20 0.00 1.79 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 2.38 2.25 0.00 65 G 7.50 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 66 W 7.97 4.51 0.00 3.45 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 67 N 8.90 4.47 0.00 2.86 2.92 0.00 0.00 7.35 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 68 P 0.00 4.32 0.00 2.32 2.35 0.00 3.81 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.07 0.00 69 E 8.22 3.98 0.00 2.13 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 2.39 2.50 0.00 70 F 8.48 4.06 0.00 3.44 3.33 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 71 T 8.28 4.11 4.49 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 1.24 0.00 0.00 72 K 8.11 3.82 0.00 1.87 1.94 0.00 1.59 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.30 1.41 7.81 73 K 7.29 3.26 0.00 1.27 0.74 0.00 1.23 0.00 0.00 1.16 0.00 0.00 2.82 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.18 1.33 7.81 74 V 6.99 3.35 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 1.14 0.00 0.00 0.32 0.00 0.00 75 A 8.30 4.11 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 76 G 7.83 3.47 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 0.00 77 W 7.77 4.48 0.00 3.63 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 78 A 8.24 4.12 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 79 E 8.07 3.89 0.00 2.19 2.15 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 2.31 2.35 0.00 80 K 7.74 4.01 0.00 2.01 1.90 0.00 1.91 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.70 7.81 81 V 8.01 3.65 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 0.95 0.00 0.00 0.97 0.00 0.00 82 A 8.04 4.15 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 83 S 7.78 4.23 0.00 4.06 4.16 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 84 G 7.98 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 85 N 7.53 4.70 0.00 2.75 2.77 0.00 0.00 6.98 7.82 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 86 R 8.12 4.29 0.00 1.80 1.85 0.00 3.15 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 87 I 7.80 4.54 1.86 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 1.22 0.67 0.86 0.00 0.00 88 L 8.40 4.16 0.00 1.61 1.53 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 89 I 7.99 4.24 1.83 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 1.20 0.51 0.85 0.00 0.00 90 K 8.76 3.98 0.00 1.69 1.87 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.50 7.81 91 N 7.84 4.97 0.00 2.95 2.92 0.00 0.00 6.87 7.88 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 92 P 0.00 4.34 0.00 2.24 2.33 0.00 3.73 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.96 0.00 93 E 8.02 3.98 0.00 1.92 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 1.62 1.92 0.00 94 Y 7.33 4.18 0.00 3.00 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 95 F 8.00 4.69 0.00 2.88 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 96 S 8.11 4.24 0.00 3.95 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 97 T 8.20 3.66 4.16 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 1.12 0.00 0.00 98 Y 7.37 3.95 0.00 3.00 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 *100 Q 8.13 3.80 0.00 0.96 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.67 0.00 0.00 0.00 0.00 0.00 1.75 1.16 0.00 101 E 8.24 3.99 0.00 1.90 1.90 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 2.30 2.39 0.00 102 Q 8.02 3.85 0.00 1.78 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 103 L 7.95 4.08 0.00 2.22 1.97 1.38 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 104 K 8.69 4.04 0.00 2.18 2.08 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.57 7.81 105 E 8.29 3.95 0.00 2.18 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 0.00 2.31 2.36 0.00 106 L 7.71 4.01 0.00 1.81 1.66 1.01 0.98 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 0.00 107 V 7.98 3.68 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 1.00 0.00 0.00 0.93 0.00 0.00 108 L 7.82 4.09 0.00 1.82 1.73 0.94 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 109 E 7.90 4.31 0.00 2.16 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 0.00 2.36 2.37 0.00 110 H 8.04 4.49 0.00 3.33 3.14 0.00 5.76 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.