NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4576 8.3049 120.3488 55.3649 33.3876 174.5763 2 V 4.4267 8.2075 118.3124 59.2555 35.3029 173.3359 3 Q 4.6584 8.4482 120.2860 54.5737 33.6290 174.3472 4 Q 4.4326 8.1903 119.6868 54.7797 32.0430 173.7246 5 K 4.2611 8.6217 126.9044 55.8153 32.7770 176.1224 6 V 4.5146 8.0382 118.5519 59.3392 35.3388 174.4007 7 E 4.2606 8.5111 122.8645 54.9061 30.3344 175.9859 8 V 3.8173 8.3566 126.4462 62.9000 31.4518 175.5149 9 R 4.4940 8.3685 125.4234 55.9055 31.1535 176.7169 10 L 4.2684 7.5280 117.8229 54.1121 42.3892 176.7149 11 K 4.3918 8.3766 120.4983 56.7991 32.8793 176.3954 12 T 4.7273 8.2538 112.7279 60.3536 72.7476 172.2818 13 G 4.4723 8.2740 107.7080 45.2305 0.0000 172.9417 14 L 4.1596 8.6147 119.7336 55.2407 42.2187 178.4981 15 Q 4.2815 8.5338 121.0593 55.0962 30.8022 177.2103 16 A 4.0121 8.5480 123.6393 55.5878 18.3717 179.9732 17 R 3.8530 7.9965 116.3279 59.3756 30.2461 176.6655 18 P 4.5317 0.0000 0.0000 64.9559 31.2654 178.5150 19 A 4.1475 8.3102 119.3736 55.0995 18.2793 179.4762 20 A 3.9573 8.4274 119.6989 55.4685 18.5534 179.9424 21 L 3.9059 8.0714 117.4517 57.5304 41.5349 179.5051 22 F 3.4541 8.1683 120.7867 61.1995 39.3354 177.2842 23 V 3.7509 8.1330 118.0458 66.1055 31.0808 177.5329 24 Q 3.9223 7.9919 118.1320 59.3521 29.1186 178.1581 25 E 4.0237 8.0524 118.9731 59.3645 29.5670 179.0591 26 A 4.3298 8.4443 121.1494 55.4263 18.2602 179.2959 27 N 4.4367 8.3163 113.8312 55.7847 38.6473 176.8260 28 R 3.9968 7.6009 117.7309 55.9046 30.6206 176.0323 29 F 5.1055 7.3541 117.9467 55.7048 41.5878 175.8320 30 T 4.1833 9.0874 113.8998 63.7939 69.3295 175.6521 31 S 4.5274 8.1432 118.8979 58.5518 64.2682 173.5946 32 D 4.5070 8.9845 122.8658 54.2417 42.3070 175.7057 33 V 4.8443 7.6228 120.5569 61.2767 34.8732 174.1411 34 F 5.4368 9.4184 125.6418 55.5873 43.6445 173.3917 35 L 5.2748 8.9180 122.3515 53.4395 44.9394 174.8765 36 E 5.2075 9.3454 126.0537 54.7617 33.8857 173.9534 37 K 4.5971 9.2352 124.7690 56.1702 36.3806 175.2409 38 D 4.5422 9.8525 127.2262 55.5444 38.3738 174.8164 39 G 3.9370 8.3634 105.0105 45.3821 0.0000 173.7061 40 K 4.4767 7.8303 120.1329 54.5072 33.6254 175.0979 41 K 5.1219 8.4799 123.9983 54.6950 34.6860 175.3957 42 V 4.6514 8.7451 119.9497 59.3101 35.7054 174.3175 43 N 4.7774 8.8088 122.0935 53.2948 38.9456 174.8016 44 A 3.7729 8.8690 128.5315 52.3131 18.7984 177.7849 45 K 4.1889 7.9721 117.7090 55.4373 31.7335 176.8950 *47 I 4.2258 7.4972 122.9756 61.7799 39.4760 178.8977 48 M 4.1840 8.1358 117.9273 58.0789 32.0001 178.6614 49 G 3.7511 7.9734 105.4155 47.8935 0.0000 175.3748 50 L 3.8946 7.8293 121.6907 57.7398 41.4649 179.4195 51 M 4.2059 8.0034 116.7919 57.3883 31.9989 178.1279 52 S 4.3739 7.7075 113.2420 58.4687 63.7375 173.7791 53 L 4.1145 7.0522 125.4126 54.0339 42.4384 175.6384 54 A 4.4800 8.5162 128.1795 52.3026 18.4776 176.7256 55 V 4.6222 8.6739 114.4760 60.6438 36.3360 175.1293 56 S 4.8715 8.5922 117.3802 56.6143 67.1582 174.0873 57 T 4.0307 8.4347 119.2386 65.2759 68.5349 175.0498 58 G 4.0057 8.9632 114.6876 45.3653 0.0000 173.7358 59 T 4.1546 7.5786 116.4512 63.2018 69.1544 173.8412 60 E 4.4731 8.5179 124.3947 55.5227 30.6673 175.9486 61 V 4.6618 8.0704 115.2611 60.0289 36.5194 174.5531 62 T 4.5770 8.9440 118.7100 61.9538 70.5275 173.5750 63 L 5.0332 8.5788 128.7173 53.8086 43.5340 175.4447 64 I 4.8232 9.0638 126.7414 59.5120 40.7328 174.4268 65 A 5.2122 8.5472 126.4599 50.3981 22.4232 175.2094 66 Q 4.5568 9.7681 122.4613 53.7699 32.7708 175.1716 67 G 4.5288 8.8966 114.1016 44.3300 0.0000 172.2865 68 E 3.9280 8.5590 120.3911 58.7666 29.5840 177.3933 69 D 5.0271 7.9148 116.8147 52.8353 40.1808 177.7657 70 E 3.8638 8.1685 121.8762 60.6496 29.1931 178.6207 71 Q 3.8978 7.9234 118.1611 58.8160 28.8711 178.2682 72 E 4.1962 8.3360 120.8893 58.4507 29.7338 178.4303 73 A 2.0000 7.5855 120.9349 54.2206 18.2155 179.3295 74 L 3.7880 7.8556 119.0135 58.3041 41.7111 179.0007 75 E 3.9181 8.0595 118.3882 59.4012 29.4075 179.6487 76 K 4.0335 8.1081 118.4806 59.5804 32.1107 179.5895 77 L 3.9268 8.0315 119.0361 57.3886 41.4725 179.4079 78 A 3.9447 8.3154 121.0692 55.0144 18.2704 179.4993 79 A 4.1734 7.7793 120.2033 54.7954 17.9254 179.2233 80 Y 3.8680 7.8321 117.9696 60.9597 38.7198 178.3780 81 V 3.3910 7.6709 117.9564 65.6106 31.6064 176.9540 82 Q 4.2582 7.7085 114.8131 54.3577 29.6562 175.3660 83 E 3.6250 7.6479 118.8139 57.4171 27.6197 174.4757 84 E 4.6197 8.3959 118.0511 54.6474 31.7960 176.4994 85 V 4.4235 8.0382 120.7282 59.7962 34.8204 175.3035 86 L 4.0728 8.5722 120.2642 55.3850 42.4570 173.5538 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 8.30 4.46 0.00 1.99 2.04 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 2.48 2.52 0.00 2 V 8.21 4.43 2.08 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 0.78 0.00 0.00 0.93 0.00 0.00 3 Q 8.45 4.66 0.00 1.97 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.63 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 4 Q 8.19 4.43 0.00 1.96 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.93 0.00 0.00 0.00 0.00 0.00 2.24 2.34 0.00 5 K 8.62 4.26 0.00 1.75 1.70 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.40 1.45 7.81 6 V 8.04 4.51 2.08 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 0.77 0.00 0.00 0.93 0.00 0.00 7 E 8.51 4.26 0.00 1.92 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 2.25 2.28 0.00 8 V 8.36 3.82 2.08 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 0.88 0.00 0.00 0.93 0.00 0.00 9 R 8.37 4.49 0.00 1.82 1.93 0.00 3.26 0.00 0.00 3.22 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 10 L 7.53 4.27 0.00 1.64 1.60 0.92 0.92 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 11 K 8.38 4.39 0.00 1.64 1.74 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.44 7.81 12 T 8.25 4.73 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 13 G 8.27 4.47 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 14 L 8.61 4.16 0.00 1.69 1.72 1.07 0.98 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 8.53 4.28 0.00 2.13 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.46 2.44 0.00 16 A 8.55 4.01 1.34 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 0.00 0.00 0.00 17 R 8.00 3.85 0.00 1.92 1.98 0.00 3.22 0.00 0.00 3.37 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.77 0.00 18 P 0.00 4.53 0.00 2.30 2.17 0.00 4.13 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 2.16 2.07 0.00 19 A 8.31 4.15 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 20 A 8.43 3.96 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 21 L 8.07 3.91 0.00 2.03 1.64 1.04 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 22 F 8.17 3.45 0.00 3.53 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 23 V 8.13 3.75 2.24 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 1.06 0.00 0.00 0.96 0.00 0.00 24 Q 7.99 3.92 0.00 2.15 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.74 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 25 E 8.05 4.02 0.00 2.05 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 0.00 2.22 2.22 0.00 26 A 8.44 4.33 1.49 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 0.00 0.00 0.00 27 N 8.32 4.44 0.00 2.89 2.87 0.00 0.00 7.10 8.49 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 28 R 7.60 4.00 0.00 1.33 1.46 0.00 2.93 0.00 0.00 3.03 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.64 0.00 29 F 7.35 5.11 0.00 3.15 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 30 T 9.09 4.18 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 1.23 0.00 0.00 31 S 8.14 4.53 0.00 3.83 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 32 D 8.98 4.51 0.00 2.64 2.25 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 0.00 33 V 7.62 4.84 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.89 0.00 0.00 34 F 9.42 5.44 0.00 2.95 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 35 L 8.92 5.27 0.00 1.71 1.49 1.12 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 36 E 9.35 5.21 0.00 2.01 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 2.19 2.47 0.00 37 K 9.24 4.60 0.00 1.87 1.59 0.00 1.85 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.35 1.42 7.81 38 D 9.85 4.54 0.00 2.82 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 0.00 39 G 8.36 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 0.00 0.00 0.00 40 K 7.83 4.48 0.00 1.92 1.72 0.00 1.61 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.49 7.81 41 K 8.48 5.12 0.00 1.61 1.51 0.00 1.06 0.00 0.00 1.43 0.00 0.00 2.58 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.09 1.37 7.81 42 V 8.75 4.65 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 0.68 0.00 0.00 0.99 0.00 0.00 43 N 8.81 4.78 0.00 2.82 2.71 0.00 0.00 7.00 7.96 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 44 A 8.87 3.77 1.03 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 0.00 0.00 45 K 7.97 4.19 0.00 1.80 1.75 0.00 1.66 0.00 0.00 1.67 0.00 0.00 3.23 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.40 1.31 7.81 *47 I 7.50 4.23 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 1.42 0.73 0.92 0.00 0.00 48 M 8.14 4.18 0.00 1.98 2.12 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.60 0.00 49 G 7.97 3.75 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 0.00 0.00 0.00 50 L 7.83 3.89 0.00 1.73 1.62 0.35 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 51 M 8.00 4.21 0.00 2.00 2.12 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.77 0.00 52 S 7.71 4.37 0.00 4.05 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 53 L 7.05 4.11 0.00 1.60 1.61 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 54 A 8.52 4.48 1.25 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 0.00 0.00 0.00 55 V 8.67 4.62 2.10 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 0.72 0.00 0.00 0.96 0.00 0.00 56 S 8.59 4.87 0.00 3.76 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 0.00 57 T 8.43 4.03 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 1.20 0.00 0.00 58 G 8.96 4.01 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 0.00 0.00 0.00 59 T 7.58 4.15 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 1.22 0.00 0.00 60 E 8.52 4.47 0.00 1.96 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 2.27 2.26 0.00 61 V 8.07 4.66 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 0.75 0.00 0.00 0.99 0.00 0.00 62 T 8.94 4.58 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 1.24 0.00 0.00 63 L 8.58 5.03 0.00 1.71 1.61 0.95 1.21 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 64 I 9.06 4.82 2.07 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.76 1.02 0.00 0.00 65 A 8.55 5.21 1.11 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 0.00 0.00 0.00 0.00 0.00 0.00 66 Q 9.77 4.56 0.00 2.17 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.91 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 67 G 8.90 4.53 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 0.00 0.00 0.00 68 E 8.56 3.93 0.00 1.94 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 0.00 2.32 2.41 0.00 69 D 7.91 5.03 0.00 3.10 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 70 E 8.17 3.86 0.00 2.31 2.39 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 2.41 2.35 0.00 71 Q 7.92 3.90 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.95 0.00 0.00 0.00 0.00 0.00 2.44 2.35 0.00 72 E 8.34 4.20 0.00 2.13 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 0.00 2.57 2.58 0.00 73 A 7.59 2.00 0.67 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 0.00 0.00 74 L 7.86 3.79 0.00 1.83 1.77 0.91 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 75 E 8.06 3.92 0.00 2.16 1.97 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 2.31 2.38 0.00 76 K 8.11 4.03 0.00 2.10 1.97 0.00 1.60 0.00 0.00 1.95 0.00 0.00 3.11 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.68 1.61 7.81 77 L 8.03 3.93 0.00 1.71 1.62 1.03 0.84 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 78 A 8.32 3.94 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.78 4.17 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 80 Y 7.83 3.87 0.00 3.11 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 81 V 7.67 3.39 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 0.93 0.00 0.00 0.91 0.00 0.00 82 Q 7.71 4.26 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.45 0.00 0.00 0.00 0.00 0.00 2.32 2.50 0.00 83 E 7.65 3.62 0.00 1.98 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 2.01 2.09 0.00 84 E 8.40 4.62 0.00 1.96 1.82 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 2.22 2.32 0.00 85 V 8.04 4.42 2.08 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 0.73 0.00 0.00 0.94 0.00 0.00 86 L 8.57 4.07 0.00 1.70 2.00 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.