NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5675 8.1633 120.2388 55.4104 34.1303 173.7253 2 Y 4.9645 8.7583 121.2132 55.9816 40.7574 173.1071 3 K 4.8779 10.1918 124.3177 54.9245 34.9295 175.2842 4 V 4.6300 9.1430 125.7474 61.1361 34.1060 174.2023 5 K 4.8281 8.8525 128.9313 55.3042 33.7160 176.0609 6 V 4.8836 8.5900 125.7717 61.2509 34.2543 173.8055 7 Y 5.1736 9.5898 125.6768 56.4562 40.4675 174.6556 8 V 5.6010 9.0964 124.9626 60.7313 33.9773 175.1462 9 S 4.3545 9.2602 119.8603 61.3535 64.9697 172.7547 10 L 4.9846 8.5523 116.8387 52.9672 41.9841 173.7490 11 K 4.2612 8.6589 123.2090 56.1231 32.5564 177.2795 12 E 4.2822 8.6891 119.4405 57.7542 29.6636 177.5779 13 S 4.6779 7.8961 112.7802 57.6050 63.4278 173.6703 14 V 4.4004 7.2644 119.6942 61.0914 33.6600 175.4839 15 L 4.3268 8.3153 126.1035 54.8652 42.5210 176.8383 16 D 4.7223 8.0592 118.6974 50.6112 41.5323 173.5438 17 P 4.2759 0.0000 0.0000 65.4262 31.4011 177.6680 18 Q 4.1291 8.2159 116.2652 58.8697 28.5559 179.0359 19 G 4.0817 8.2695 108.1005 47.3140 0.0000 175.8897 20 S 4.1020 8.1771 117.4778 61.4532 62.9394 176.5602 21 A 3.9843 8.0865 123.2711 55.2729 18.0068 179.9751 22 V 3.5319 7.4838 116.4799 66.0454 31.6318 177.8575 23 Q 3.9080 8.2874 119.6696 59.6595 28.8682 177.8082 24 H 4.0446 8.4167 118.9411 59.4169 28.9405 176.9689 25 A 4.0120 8.0594 122.3727 55.1805 18.2599 179.6643 26 L 4.4746 8.4782 117.9787 58.1912 41.6904 179.4375 27 H 4.2908 8.7964 116.8248 58.9208 28.4834 177.7934 28 S 4.3780 7.9609 115.3100 60.5838 62.6524 174.8440 29 M 4.2253 7.1903 120.5238 54.9895 32.0881 176.8399 30 T 3.4301 8.1008 109.8969 61.5261 68.6281 172.1176 31 Y 5.3143 7.2903 123.3668 58.2938 37.1036 177.5880 32 N 4.1456 8.0489 116.9774 54.1877 38.2353 177.3905 33 E 4.2533 8.1360 114.1394 57.3761 29.9819 176.1663 34 V 4.0858 7.5585 122.8104 62.6024 31.0392 176.3211 35 Q 4.2359 8.6367 127.0143 57.5518 28.5050 172.5325 36 D 4.5707 7.3783 112.1935 53.7502 44.0482 174.7520 37 V 4.3347 8.0564 123.0801 61.2187 33.9182 174.2515 38 R 4.9635 8.6181 126.1179 54.3960 32.0478 175.4255 39 I 4.4276 10.0281 124.3378 59.4971 38.9107 175.0930 40 G 4.3660 8.4469 110.9963 44.4390 0.0000 171.2885 41 K 4.8158 9.2338 121.6168 55.5000 34.4238 176.3432 *42 Y 4.9612 8.3341 123.3454 55.8849 40.5094 173.4992 43 M 4.6912 8.6656 123.0143 52.6031 36.5339 173.7656 44 E 4.8431 8.8313 124.4020 54.7052 31.1251 174.7771 45 L 4.7842 8.8465 127.5022 53.3384 45.0183 176.0319 46 T 4.9042 8.4282 117.7125 62.2157 70.7956 173.2708 47 I 4.4809 8.9116 128.2719 59.4089 40.1253 174.8590 48 E 4.7658 8.7855 129.5411 54.9190 30.5894 176.0336 49 K 4.0004 8.8305 130.4576 55.9200 31.8290 173.2090 50 S 5.1117 8.5461 124.6116 56.3992 65.3866 171.5776 51 D 4.8688 8.7041 118.2372 55.1711 39.5531 171.5577 52 R 4.6593 7.2319 118.8596 54.9785 32.1725 176.1027 53 D 4.4048 8.6117 124.4049 54.5862 42.3145 177.3859 54 L 3.7955 8.4751 125.6685 58.3432 42.1419 179.0120 55 D 4.3620 8.0181 118.5302 56.4274 39.3144 178.5835 56 V 3.5330 7.6537 119.1306 65.5493 31.6604 177.5165 57 L 3.8606 8.2499 120.4465 58.1931 41.9658 179.1731 58 V 3.2942 7.7552 118.2522 65.6287 31.2968 177.7373 59 K 3.9153 8.0396 119.4169 59.6442 32.0638 178.5166 60 E 4.1837 8.0640 119.9528 59.2414 29.4038 179.2985 61 M 3.9988 7.9069 118.6137 58.4535 31.9786 178.7469 62 C 3.8483 7.8448 117.0070 62.6804 28.2636 176.0661 63 E 4.2788 8.4467 119.3360 58.5216 28.9269 178.2720 64 K 4.5211 7.8506 117.0268 56.4889 33.1584 175.9428 65 L 4.6790 7.4781 118.8821 56.3317 48.0579 176.3308 66 L 3.9906 7.9535 117.6808 56.9632 41.7347 177.8930 67 A 4.6041 8.1733 120.6819 49.8822 21.5014 174.9717 68 N 4.4115 9.0262 122.4725 53.6839 38.2766 175.5006 69 T 4.0466 8.5212 121.3839 64.1912 67.6332 174.8811 70 V 3.9519 8.3543 120.5212 64.7872 32.0424 176.1147 71 I 4.7142 7.8249 109.8210 60.2012 39.1953 174.6428 72 E 5.1352 8.4618 120.6852 55.1507 33.6681 174.1555 73 D 5.2784 8.6306 119.9893 53.0489 45.3259 174.0763 74 Y 5.7926 8.1533 116.8595 56.6475 41.4643 173.4727 75 R 4.9908 8.8217 114.9071 55.9019 32.9363 172.8586 76 Y 5.6672 8.1777 116.7840 56.3456 41.5092 173.6123 77 E 4.8919 9.8966 118.9162 54.5705 33.5354 175.3025 78 V 5.1211 8.5922 124.7864 62.1061 34.0525 174.9597 79 E 4.8979 9.0237 122.7853 55.6303 34.7164 173.8069 80 E 5.1180 8.6225 119.0588 56.0147 29.8058 176.2513 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 4.57 0.00 1.93 2.00 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.49 0.00 2 Y 8.76 4.96 0.00 2.90 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 3 K 10.19 4.88 0.00 1.86 1.77 0.00 1.78 0.00 0.00 1.59 0.00 0.00 2.79 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.53 7.81 4 V 9.14 4.63 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 0.97 0.00 0.00 0.95 0.00 0.00 5 K 8.85 4.83 0.00 1.87 1.39 0.00 1.95 0.00 0.00 1.69 0.00 0.00 2.84 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.40 7.81 6 V 8.59 4.88 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 0.93 0.00 0.00 0.83 0.00 0.00 7 Y 9.59 5.17 0.00 2.96 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 8 V 9.10 5.60 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 0.90 0.00 0.00 0.98 0.00 0.00 9 S 9.26 4.35 0.00 3.89 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 L 8.55 4.98 0.00 1.76 1.95 0.97 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.66 4.26 0.00 1.78 1.77 0.00 1.96 0.00 0.00 2.05 0.00 0.00 3.25 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.65 1.41 7.81 12 E 8.69 4.28 0.00 1.96 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 2.31 2.29 0.00 13 S 7.90 4.68 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 14 V 7.26 4.40 2.27 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 0.84 0.00 0.00 0.94 0.00 0.00 15 L 8.32 4.33 0.00 1.68 1.59 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 16 D 8.06 4.72 0.00 2.62 2.48 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 17 P 0.00 4.28 0.00 2.19 2.10 0.00 3.66 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 18 Q 8.22 4.13 0.00 2.26 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.92 0.00 0.00 0.00 0.00 0.00 2.46 2.38 0.00 19 G 8.27 4.08 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 0.00 0.00 0.00 20 S 8.18 4.10 0.00 4.08 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 21 A 8.09 3.98 1.33 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 22 V 7.48 3.53 2.29 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 0.94 0.00 0.00 0.97 0.00 0.00 23 Q 8.29 3.91 0.00 2.12 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.53 0.00 0.00 0.00 0.00 0.00 2.09 2.28 0.00 24 H 8.42 4.04 0.00 3.26 3.50 0.00 5.84 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 25 A 8.06 4.01 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 26 L 8.48 4.47 0.00 1.93 1.92 0.93 1.08 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 27 H 8.80 4.29 0.00 3.27 3.33 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 28 S 7.96 4.38 0.00 3.98 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 29 M 7.19 4.23 0.00 2.05 2.27 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.47 0.00 30 T 8.10 3.43 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 1.05 0.00 0.00 31 Y 7.29 5.31 0.00 3.26 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 32 N 8.05 4.15 0.00 2.74 2.74 0.00 0.00 6.98 7.66 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 33 E 8.14 4.25 0.00 2.13 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 0.00 2.41 2.28 0.00 34 V 7.56 4.09 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 0.83 0.00 0.00 1.04 0.00 0.00 35 Q 8.64 4.24 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.54 0.00 0.00 0.00 0.00 0.00 2.28 1.91 0.00 36 D 7.38 4.57 0.00 2.56 2.51 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 37 V 8.06 4.33 2.28 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 0.99 0.00 0.00 0.94 0.00 0.00 38 R 8.62 4.96 0.00 1.83 1.83 0.00 3.39 0.00 0.00 3.32 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 39 I 10.03 4.43 1.97 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.59 0.92 0.00 0.00 40 G 8.45 4.37 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 0.00 41 K 9.23 4.82 0.00 1.69 1.70 0.00 1.60 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.38 7.81 *42 Y 8.33 4.96 0.00 2.04 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 0.00 0.00 0.00 43 M 8.67 4.69 0.00 1.83 1.82 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.40 0.00 44 E 8.83 4.84 0.00 1.91 1.81 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 2.19 2.30 0.00 45 L 8.85 4.78 0.00 1.75 1.50 0.85 0.33 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 46 T 8.43 4.90 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 1.22 0.00 0.00 47 I 8.91 4.48 1.97 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.68 0.94 0.00 0.00 48 E 8.79 4.77 0.00 1.98 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 2.22 2.29 0.00 49 K 8.83 4.00 0.00 1.81 1.65 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.37 1.06 7.81 50 S 8.55 5.11 0.00 3.61 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 51 D 8.70 4.87 0.00 2.69 2.57 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 0.00 52 R 7.23 4.66 0.00 1.75 1.79 0.00 3.22 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.53 0.00 53 D 8.61 4.40 0.00 2.71 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 L 8.48 3.80 0.00 1.43 1.49 0.60 0.58 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 55 D 8.02 4.36 0.00 3.01 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 56 V 7.65 3.53 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 1.03 0.00 0.00 0.93 0.00 0.00 57 L 8.25 3.86 0.00 1.78 1.72 0.87 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 58 V 7.76 3.29 1.54 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 -0.10 0.00 0.00 0.55 0.00 0.00 59 K 8.04 3.92 0.00 2.02 1.95 0.00 1.77 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.67 7.81 60 E 8.06 4.18 0.00 2.23 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 0.00 2.47 2.28 0.00 61 M 7.91 4.00 0.00 1.95 1.95 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.51 0.00 62 C 7.84 3.85 0.00 2.36 1.85 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 63 E 8.45 4.28 0.00 2.21 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 0.00 2.47 2.33 0.00 64 K 7.85 4.52 0.00 1.76 1.85 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.37 1.52 7.81 65 L 7.48 4.68 0.00 1.48 1.69 0.89 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 66 L 7.95 3.99 0.00 1.52 1.62 0.78 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.17 4.60 1.23 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 0.00 0.00 68 N 9.03 4.41 0.00 2.77 2.88 0.00 0.00 6.38 7.38 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 69 T 8.52 4.05 4.31 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 1.24 0.00 0.00 70 V 8.35 3.95 2.28 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 0.85 0.00 0.00 0.94 0.00 0.00 71 I 7.82 4.71 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.76 0.92 0.00 0.00 72 E 8.46 5.14 0.00 2.12 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 2.35 2.30 0.00 73 D 8.63 5.28 0.00 2.57 2.48 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 74 Y 8.15 5.79 0.00 3.09 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 75 R 8.82 4.99 0.00 1.87 2.04 0.00 2.86 0.00 0.00 3.34 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.74 0.00 76 Y 8.18 5.67 0.00 3.12 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 77 E 9.90 4.89 0.00 2.06 1.95 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 2.28 2.46 0.00 78 V 8.59 5.12 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 0.94 0.00 0.00 1.19 0.00 0.00 79 E 9.02 4.90 0.00 1.69 1.72 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 2.15 2.16 0.00 80 E 8.62 5.12 0.00 1.89 1.72 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 1.99 2.26 0.00 * Residues marked with a * may have inaccurate shift predictions.