NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 E 4.2886 8.3027 121.4695 55.8976 31.1908 176.3402 6 E 3.8597 8.7331 126.7384 57.8016 29.7777 177.4839 7 T 3.9406 8.6758 110.7257 64.5619 69.2912 175.9475 8 L 3.9751 7.8860 121.4049 57.6025 41.8486 179.2319 9 K 3.9164 7.6550 117.0584 59.7367 31.7955 179.6070 10 R 3.9449 7.6887 116.7942 59.0605 30.2926 178.6584 11 L 4.0970 8.0865 120.2111 58.1789 42.1827 178.6233 12 Q 4.0111 8.6690 120.1285 59.0216 28.7112 177.9194 13 S 4.4017 7.7854 112.6455 58.5667 64.2032 174.6784 14 Q 4.0610 7.4149 122.5574 55.4067 29.1126 175.7242 15 K 3.8995 8.5474 122.0667 58.5669 32.5732 175.7536 16 G 4.1032 9.0286 113.7089 45.4945 0.0000 173.6106 17 V 4.0552 7.3292 119.2609 63.0336 31.9533 175.3656 18 Q 4.4349 8.8756 125.8684 56.7933 30.5686 175.8155 19 G 4.5184 7.1886 103.7846 46.8178 0.0000 172.4007 20 I 5.2565 8.1898 120.5956 59.3982 41.4802 174.7842 21 I 4.9099 8.9749 126.7325 59.4888 41.3063 174.3569 22 V 4.7047 9.0304 127.1025 61.4617 33.1881 174.8323 23 V 4.9567 8.5568 121.5559 59.6069 34.9374 175.9858 24 N 5.0955 8.8594 121.8751 51.6838 39.0235 175.8033 25 T 4.1434 8.6607 107.6008 64.9915 68.3640 174.5582 26 E 4.2175 8.4220 118.5034 56.0569 29.7798 176.9754 27 G 3.7638 8.6896 107.5181 45.5353 0.0000 173.7302 28 I 3.9291 8.0562 121.9416 59.8296 37.5734 173.7419 29 P 4.7078 0.0000 0.0000 62.7641 31.3469 176.0407 30 I 4.3081 8.4664 117.1255 60.9704 39.0318 175.7067 31 K 4.4945 7.5929 122.4959 55.8214 35.3915 173.7991 32 S 5.1012 8.4906 119.6651 57.5945 65.1313 173.8845 33 T 4.4732 8.7877 116.0163 61.8858 69.2615 174.1493 34 M 4.6911 7.7758 121.8103 53.1495 34.8914 175.8406 35 D 4.5562 8.2963 120.1700 53.4753 41.3057 177.1078 36 N 4.2799 8.6168 118.9427 56.4598 39.1408 175.3910 37 P 4.2575 0.0000 0.0000 66.2315 31.1445 178.5183 38 T 4.0354 8.3443 115.4991 66.7014 68.3365 176.7331 39 T 3.9467 8.1507 117.8159 67.2454 68.2569 176.7281 40 T 3.9267 8.0310 116.6064 66.4307 68.5509 176.0637 41 Q 4.0133 8.1714 121.1992 59.1692 29.1201 177.6371 42 Y 4.3405 7.8769 116.1501 59.5850 39.0200 177.5811 43 A 4.0603 8.2037 121.8505 55.4908 17.9714 179.6875 44 S 4.0382 7.9914 110.5924 61.6568 62.1433 176.2448 45 L 4.0816 7.8505 121.1936 58.0381 41.3261 179.2634 46 M 4.2834 8.5912 119.2134 58.2926 31.8696 178.2708 47 H 4.0345 8.2346 118.5968 59.2644 30.1453 177.0555 48 S 4.0313 7.7187 113.8978 61.5411 62.0864 176.0483 49 F 4.2713 7.9030 122.0160 61.3262 39.0777 177.1974 50 I 3.1314 7.8534 119.7697 64.1307 36.6975 178.3383 51 L 3.8129 7.6496 119.7951 57.5842 41.2969 179.6055 52 K 3.8336 7.7565 118.8616 59.1999 32.2219 178.6909 53 A 3.7426 7.6368 121.2696 55.0631 18.1106 179.6215 54 R 3.7783 7.9183 117.4272 59.6559 30.1559 178.9558 55 S 4.1251 8.2899 114.3394 61.5528 62.9478 176.6056 56 T 3.7943 8.1173 119.6430 66.4085 68.1625 176.4899 57 V 3.5876 7.5905 119.9683 66.4466 30.9849 178.3687 58 R 4.1413 7.7734 117.5556 59.2464 29.6696 178.7690 59 D 4.4509 8.2028 118.3316 57.1347 40.8101 178.5797 60 I 4.1966 7.6888 119.9169 62.9515 37.5382 175.8922 61 D 4.4092 8.4897 124.0683 52.7567 42.3115 174.0686 62 P 4.3500 0.0000 0.0000 63.9830 30.7117 174.4218 63 Q 4.3866 8.4390 113.4584 56.1954 28.9731 175.0255 64 N 4.8312 7.9376 117.5835 52.4208 40.5472 173.7148 65 D 4.6948 8.1202 119.5082 52.1932 44.8023 175.4565 66 L 4.0635 8.7017 126.1051 55.8390 42.4449 176.5136 67 T 4.6269 8.1866 113.7166 61.7802 70.8802 173.6152 68 F 4.9738 7.6336 120.4449 57.3117 42.2893 173.0573 69 L 4.7608 7.7825 124.4861 52.8064 45.7507 175.3591 70 R 4.8476 8.5786 122.4909 54.5536 33.0080 174.2055 71 I 4.4567 9.0731 127.6718 59.7125 39.5305 174.3842 72 R 4.9668 8.6312 127.9594 54.6553 31.8243 175.1372 73 S 4.7867 8.9104 119.5799 56.0873 66.5258 174.0092 74 K 4.0496 8.7864 118.9865 59.3031 31.6999 178.5706 75 K 4.3328 7.8186 115.8718 57.7032 33.2732 175.3037 76 N 4.8726 7.7403 113.8944 52.6642 40.8684 172.6933 77 E 5.1436 8.9282 118.4339 55.3287 33.8202 174.8489 78 I 4.9606 9.1312 127.3154 59.8468 40.4220 174.3374 79 M 4.9405 9.0239 126.6915 53.5591 35.0639 175.2100 80 V 4.9520 8.2499 121.3144 61.1194 35.4264 173.8413 81 A 5.0863 8.9586 129.0239 49.2743 21.7226 173.5051 82 P 4.4864 0.0000 0.0000 63.4820 31.8858 175.8686 *86 Y 4.8001 8.3302 120.4739 57.9434 39.3099 174.1977 87 F 5.1417 8.9721 120.3403 55.7302 42.6543 173.9460 88 L 5.0184 9.2020 126.2580 53.9108 43.7491 174.9583 89 I 4.9583 9.1891 127.5758 59.4904 40.0415 174.5888 90 V 4.7457 8.9161 127.4145 61.1271 34.1819 174.0215 91 I 4.9133 8.6297 129.4138 59.7373 39.4327 174.8201 92 Q 4.9504 8.9313 123.5706 54.6723 32.4603 173.6428 93 N 4.7602 8.7253 117.7205 52.4551 39.4768 173.9985 94 P 4.5312 0.0000 0.0000 63.1192 31.4160 176.5314 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 5 E 8.30 4.29 0.00 2.06 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 2.28 2.45 0.00 6 E 8.73 3.86 0.00 2.20 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 2.38 2.49 0.00 7 T 8.68 3.94 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 1.22 0.00 0.00 8 L 7.89 3.98 0.00 1.85 1.75 0.91 0.99 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 9 K 7.66 3.92 0.00 2.03 1.87 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.49 7.81 10 R 7.69 3.94 0.00 1.96 1.99 0.00 3.16 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 11 L 8.09 4.10 0.00 1.87 1.80 0.94 0.41 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 12 Q 8.67 4.01 0.00 2.17 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.60 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 13 S 7.79 4.40 0.00 4.10 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 14 Q 7.41 4.06 0.00 2.21 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.93 0.00 0.00 0.00 0.00 0.00 2.68 2.46 0.00 15 K 8.55 3.90 0.00 1.71 1.76 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.47 7.81 16 G 9.03 4.10 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 0.00 0.00 0.00 17 V 7.33 4.06 2.32 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 0.84 0.00 0.00 0.97 0.00 0.00 18 Q 8.88 4.43 0.00 1.96 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.65 0.00 0.00 0.00 0.00 0.00 2.29 2.43 0.00 19 G 7.19 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 0.00 0.00 0.00 0.00 20 I 8.19 5.26 1.86 0.00 0.00 0.86 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 0.71 0.95 0.00 0.00 21 I 8.97 4.91 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 1.09 0.83 0.98 0.00 0.00 22 V 9.03 4.70 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 0.61 0.00 0.00 0.90 0.00 0.00 23 V 8.56 4.96 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 0.78 0.00 0.00 1.21 0.00 0.00 24 N 8.86 5.10 0.00 3.09 3.03 0.00 0.00 6.84 7.89 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 25 T 8.66 4.14 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 1.20 0.00 0.00 26 E 8.42 4.22 0.00 2.09 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 2.31 2.34 0.00 27 G 8.69 3.76 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 0.00 0.00 0.00 28 I 8.06 3.93 2.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.96 0.90 0.00 0.00 29 P 0.00 4.71 0.00 2.03 2.01 0.00 3.65 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 30 I 8.47 4.31 1.73 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.32 0.86 0.00 0.00 31 K 7.59 4.49 0.00 1.73 1.53 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.76 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.37 7.81 32 S 8.49 5.10 0.00 3.87 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 33 T 8.79 4.47 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 1.20 0.00 0.00 34 M 7.78 4.69 0.00 2.00 1.99 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.38 0.00 35 D 8.30 4.56 0.00 2.87 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 36 N 8.62 4.28 0.00 2.78 2.86 0.00 0.00 6.67 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 37 P 0.00 4.26 0.00 2.32 2.31 0.00 3.68 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 2.32 2.07 0.00 38 T 8.34 4.04 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 1.38 0.00 0.00 39 T 8.15 3.95 4.43 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 1.23 0.00 0.00 40 T 8.03 3.93 4.39 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 1.22 0.00 0.00 41 Q 8.17 4.01 0.00 2.11 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 1.89 2.25 0.00 42 Y 7.88 4.34 0.00 3.03 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 43 A 8.20 4.06 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 0.00 0.00 44 S 7.99 4.04 0.00 3.91 3.88 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 45 L 7.85 4.08 0.00 1.67 1.65 0.86 0.93 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 46 M 8.59 4.28 0.00 2.09 2.34 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.93 0.00 47 H 8.23 4.03 0.00 3.38 3.51 0.00 5.80 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 48 S 7.72 4.03 0.00 4.00 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 49 F 7.90 4.27 0.00 3.13 3.17 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 50 I 7.85 3.13 1.45 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.40 -0.37 0.00 0.00 51 L 7.65 3.81 0.00 1.71 1.63 0.86 0.88 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 52 K 7.76 3.83 0.00 1.83 1.87 0.00 1.50 0.00 0.00 1.64 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.46 7.81 53 A 7.64 3.74 0.91 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 54 R 7.92 3.78 0.00 1.93 2.02 0.00 3.20 0.00 0.00 3.44 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 55 S 8.29 4.13 0.00 4.05 4.14 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 0.00 0.00 0.00 0.00 56 T 8.12 3.79 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 1.20 0.00 0.00 57 V 7.59 3.59 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 1.13 0.00 0.00 0.95 0.00 0.00 58 R 7.77 4.14 0.00 1.99 1.96 0.00 3.18 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 59 D 8.20 4.45 0.00 2.76 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 60 I 7.69 4.20 2.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.58 0.91 0.00 0.00 61 D 8.49 4.41 0.00 2.65 2.50 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 62 P 0.00 4.35 0.00 2.13 1.98 0.00 3.68 0.00 0.00 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.60 0.00 63 Q 8.44 4.39 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 64 N 7.94 4.83 0.00 2.83 2.78 0.00 0.00 6.89 9.25 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 65 D 8.12 4.69 0.00 2.66 2.52 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 66 L 8.70 4.06 0.00 1.58 1.62 0.89 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 67 T 8.19 4.63 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 1.31 0.00 0.00 68 F 7.63 4.97 0.00 2.99 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 69 L 7.78 4.76 0.00 1.30 1.31 0.61 0.57 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 70 R 8.58 4.85 0.00 1.89 1.85 0.00 3.26 0.00 0.00 3.46 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.67 0.00 71 I 9.07 4.46 1.86 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.52 0.78 0.00 0.00 72 R 8.63 4.97 0.00 1.83 1.81 0.00 3.19 0.00 0.00 3.29 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.75 0.00 73 S 8.91 4.79 0.00 3.89 3.77 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 74 K 8.79 4.05 0.00 1.76 1.92 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.44 1.41 7.81 75 K 7.82 4.33 0.00 1.75 1.87 0.00 1.79 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.41 7.81 76 N 7.74 4.87 0.00 3.06 2.94 0.00 0.00 6.20 7.34 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 77 E 8.93 5.14 0.00 2.04 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.31 0.00 78 I 9.13 4.96 1.90 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.56 0.94 0.00 0.00 79 M 9.02 4.94 0.00 1.90 1.99 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.55 0.00 80 V 8.25 4.95 1.94 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 1.00 0.00 0.00 0.91 0.00 0.00 81 A 8.96 5.09 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 82 P 0.00 4.49 0.00 2.02 2.13 0.00 4.00 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.46 0.00 *86 Y 8.33 4.80 0.00 2.89 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 87 F 8.97 5.14 0.00 3.00 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 88 L 9.20 5.02 0.00 1.82 1.74 0.95 0.81 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 89 I 9.19 4.96 1.96 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.68 0.90 0.00 0.00 90 V 8.92 4.75 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 1.08 0.00 0.00 0.97 0.00 0.00 91 I 8.63 4.91 1.60 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.37 0.74 0.00 0.00 92 Q 8.93 4.95 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.93 0.00 0.00 0.00 0.00 0.00 2.40 2.36 0.00 93 N 8.73 4.76 0.00 2.62 2.80 0.00 0.00 7.01 8.45 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 94 P 0.00 4.53 0.00 2.05 1.98 0.00 3.72 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 2.03 2.17 0.00 * Residues marked with a * may have inaccurate shift predictions.