NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.3483 8.1733 120.0824 56.1579 34.1453 174.5147 3 L 4.6655 8.3226 122.5586 54.1849 42.7846 174.4108 4 A 4.3754 8.5780 122.3569 51.0140 23.7515 174.8418 5 V 4.3646 8.4631 119.8017 60.8993 34.3749 175.0222 6 V 4.2388 8.4721 127.7689 62.9298 32.1315 176.1141 7 T 4.5355 8.6329 116.3164 60.7984 70.3195 173.4973 8 G 3.9599 7.0696 110.5903 45.8790 0.0000 171.2896 9 Q 4.7312 8.3990 116.8321 54.0368 32.7134 175.9091 10 I 4.3331 8.1403 122.5288 59.6029 38.6242 175.3328 11 V 3.9313 8.2621 127.6158 62.3448 32.4631 175.5647 12 C 4.4319 8.4659 128.3344 58.6077 32.5519 173.3000 13 T 3.9874 8.6420 118.2251 64.9703 68.9888 176.4925 14 V 3.9338 7.4586 114.8585 60.3111 29.7578 174.8262 15 R 4.1448 7.4764 120.3249 56.3918 31.2172 173.8992 16 H 4.7116 8.3886 117.2085 55.8734 32.4016 173.4775 17 H 3.7817 8.6701 124.1658 56.6314 25.9836 174.7885 *20 A 4.1525 7.4917 119.3547 52.3016 19.8043 176.9902 21 H 4.6851 8.7264 120.3161 55.7663 29.3029 177.0826 22 D 4.5956 7.9033 121.3207 56.5098 41.2796 174.4397 23 K 4.3148 8.0455 111.7723 56.4905 35.2884 174.3936 24 L 4.4786 8.1210 124.8087 53.8146 44.3647 174.5369 25 L 4.9685 8.0204 125.2829 53.1081 46.5988 176.6774 *27 V 4.2502 8.3938 119.4053 62.7091 33.6563 173.8450 28 E 5.0287 8.2061 121.1052 53.9363 33.1356 173.9545 *30 I 3.8680 8.3125 117.9150 61.2335 38.3953 175.2366 31 D 4.6788 8.2335 124.0478 51.5652 40.4513 175.4978 32 P 4.4124 0.0000 0.0000 64.5212 30.9284 176.7074 33 Q 4.3579 8.8528 117.8179 55.9820 29.3092 176.4343 34 G 4.3728 8.7588 107.0402 44.8757 0.0000 173.1380 35 N 5.1789 7.9928 117.0311 49.6502 39.8908 172.3857 36 P 4.4738 0.0000 0.0000 63.0208 32.5320 176.2537 37 D 4.9915 8.1946 120.2889 53.1255 40.2686 176.6923 38 G 3.7791 8.5461 104.1829 47.2774 0.0000 174.3377 39 Q 3.9965 7.7761 120.0575 56.4804 29.0744 175.6292 40 C 4.9658 8.0162 118.8499 58.2758 32.3593 173.5665 41 A 4.4515 7.6913 120.5502 52.1864 23.1700 175.8826 42 V 4.8355 8.5156 106.5238 60.1228 35.7708 175.3585 43 A 4.8853 8.5071 123.0218 50.5422 23.2186 175.8114 44 I 3.9250 8.5484 123.0255 61.2905 38.5505 174.7634 45 D 4.8484 8.4863 126.1739 52.1415 43.3208 174.8976 46 N 5.1347 8.7549 124.3214 52.8013 38.0401 174.9697 47 I 4.2373 8.4266 118.9104 65.2934 39.2749 176.8285 48 G 3.6246 8.3614 106.8204 45.6092 0.0000 173.7686 49 A 4.3668 8.4455 123.9664 51.1403 19.5803 178.7283 50 G 4.0454 8.7477 112.7669 43.7970 0.0000 172.9534 51 T 4.1687 8.1408 115.9463 65.1101 68.6707 175.3476 52 G 4.0899 9.1952 114.5104 45.3224 0.0000 173.5350 53 E 4.6099 7.8847 119.1864 55.7160 31.2982 175.7288 54 W 5.0737 8.8835 122.2492 56.0197 31.1650 175.7939 55 V 4.9941 8.7568 116.1861 59.5875 36.0307 173.9880 56 L 5.0540 8.5839 124.3629 53.6386 43.9111 175.2275 57 L 5.4548 8.8808 125.8538 52.8735 45.0217 176.2153 58 V 4.6772 8.9777 121.3235 59.8944 34.6810 174.5490 59 S 5.3028 8.0307 116.5456 56.8307 65.7201 172.6776 60 G 3.8483 8.6101 105.2947 44.4812 0.0000 174.4174 61 S 4.1101 8.9054 112.4172 61.1579 62.9487 177.3137 62 S 4.1901 8.3682 116.2354 61.8292 61.9146 176.3107 63 A 4.0206 7.8166 123.2700 55.2870 17.7127 179.6595 64 R 3.9579 8.4266 117.5326 59.3531 29.9874 178.3281 65 Q 4.1187 7.7262 115.9800 57.6020 28.7956 177.6417 66 A 4.1863 7.4747 120.9295 55.4686 18.3714 176.4692 67 H 4.4422 7.7982 112.4482 56.1257 34.2135 173.2606 *75 D 4.4805 7.5412 118.6909 52.8590 41.3347 174.5104 76 L 4.5680 8.1530 117.3103 54.6876 43.5168 175.9891 77 C 5.2372 8.7331 121.9759 57.7425 35.3337 173.1036 78 V 4.6008 8.4036 126.9003 61.5312 31.3551 175.9550 79 I 4.3105 8.1653 118.9440 60.4648 38.7540 175.4798 80 G 4.0874 7.5717 108.2724 46.0945 0.0000 172.3128 81 I 4.9838 8.4690 121.4428 59.6996 39.1029 175.4026 82 V 4.2034 8.7390 126.7083 62.2606 32.0566 175.2500 83 D 4.7980 8.7539 127.2803 56.1728 42.6282 176.0750 84 E 4.9061 7.5859 111.8703 55.3977 32.1236 175.4313 85 V 4.5483 8.7296 121.3900 61.1779 34.8883 174.2420 86 V 4.9336 8.4698 126.7938 61.2670 34.0111 174.4728 87 S 4.5395 9.4047 121.1564 57.9736 65.5260 173.8320 88 G 3.9478 9.6812 112.3794 46.4883 0.0000 174.3539 89 G 3.9261 8.5906 104.6205 45.3871 0.0000 173.7103 90 Q 4.4612 8.2166 120.0032 53.5898 32.1992 174.4017 91 V 4.1551 8.4178 124.1939 62.9670 31.6591 175.5497 92 I 4.4005 8.0681 120.5764 60.6814 38.5870 175.4632 93 F 4.4112 7.5182 122.0566 57.9678 42.5049 171.8618 94 H 4.2691 6.6739 124.2789 54.0903 32.5773 173.5430 95 K 3.5603 8.4015 127.8891 58.7151 32.6816 176.5931 96 L 4.2569 7.7684 118.8038 55.3397 42.0956 176.1666 97 E 3.9803 7.5225 124.9980 56.7660 31.0900 173.6461 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 2 K 8.17 4.35 0.00 1.66 1.74 0.00 1.62 0.00 0.00 1.80 0.00 0.00 2.85 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.40 7.81 3 L 8.32 4.67 0.00 1.49 1.43 1.07 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 4 A 8.58 4.38 1.06 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 0.00 0.00 5 V 8.46 4.36 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 0.96 0.00 0.00 0.01 0.00 0.00 6 V 8.47 4.24 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 0.93 0.00 0.00 0.98 0.00 0.00 7 T 8.63 4.54 4.22 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 1.22 0.00 0.00 8 G 7.07 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 0.00 0.00 0.00 9 Q 8.40 4.73 0.00 1.87 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.85 0.00 0.00 0.00 0.00 0.00 2.25 2.41 0.00 10 I 8.14 4.33 1.87 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 1.11 0.59 0.91 0.00 0.00 11 V 8.26 3.93 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 0.74 0.00 0.00 0.93 0.00 0.00 12 C 8.47 4.43 0.00 2.92 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 T 8.64 3.99 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 14 V 7.46 3.93 2.09 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 0.69 0.00 0.00 0.94 0.00 0.00 15 R 7.48 4.14 0.00 1.77 1.94 0.00 3.24 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.71 0.00 16 H 8.39 4.71 0.00 3.03 3.12 0.00 6.12 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 H 8.67 3.78 0.00 3.15 3.19 0.00 5.80 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *20 A 7.49 4.15 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 21 H 8.73 4.69 0.00 3.29 3.39 0.00 5.54 0.00 0.00 0.00 0.00 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 D 7.90 4.60 0.00 2.64 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.05 4.31 0.00 1.80 1.83 0.00 1.55 0.00 0.00 1.74 0.00 0.00 2.78 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.25 1.29 7.81 24 L 8.12 4.48 0.00 1.74 1.55 0.91 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 25 L 8.02 4.97 0.00 1.70 1.24 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 *27 V 8.39 4.25 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 0.66 0.00 0.00 0.92 0.00 0.00 28 E 8.21 5.03 0.00 1.90 1.63 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 2.08 2.22 0.00 *30 I 8.31 3.87 1.48 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 -0.36 0.62 0.00 0.00 31 D 8.23 4.68 0.00 2.86 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 32 P 0.00 4.41 0.00 2.22 2.23 0.00 3.74 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 33 Q 8.85 4.36 0.00 2.16 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.42 0.00 0.00 0.00 0.00 0.00 2.34 2.45 0.00 34 G 8.76 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 35 N 7.99 5.18 0.00 2.96 2.98 0.00 0.00 5.96 7.76 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 36 P 0.00 4.47 0.00 2.34 1.91 0.00 3.77 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 37 D 8.19 4.99 0.00 2.75 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 38 G 8.55 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 39 Q 7.78 4.00 0.00 2.17 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.63 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 40 C 8.02 4.97 0.00 2.87 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 41 A 7.69 4.45 1.16 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 0.00 0.00 42 V 8.52 4.84 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 0.72 0.00 0.00 0.92 0.00 0.00 43 A 8.51 4.89 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 44 I 8.55 3.93 1.89 0.00 0.00 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 1.13 1.12 0.91 0.00 0.00 45 D 8.49 4.85 0.00 2.59 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 46 N 8.75 5.13 0.00 2.72 2.62 0.00 0.00 6.10 7.81 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 47 I 8.43 4.24 1.98 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 1.23 0.67 0.92 0.00 0.00 48 G 8.36 3.62 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 0.00 0.00 0.00 49 A 8.45 4.37 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 50 G 8.75 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 0.00 0.00 0.00 0.00 51 T 8.14 4.17 4.26 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 1.27 0.00 0.00 52 G 9.20 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 0.00 0.00 0.00 53 E 7.88 4.61 0.00 2.20 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 2.40 2.36 0.00 54 W 8.88 5.07 0.00 3.04 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 55 V 8.76 4.99 2.09 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 0.70 0.00 0.00 0.95 0.00 0.00 56 L 8.58 5.05 0.00 1.82 1.53 0.94 0.47 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 57 L 8.88 5.45 0.00 1.46 1.49 0.87 0.74 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 58 V 8.98 4.68 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 0.85 0.00 0.00 0.93 0.00 0.00 59 S 8.03 5.30 0.00 3.84 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 60 G 8.61 3.85 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 0.00 61 S 8.91 4.11 0.00 3.87 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 62 S 8.37 4.19 0.00 3.90 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 63 A 7.82 4.02 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 64 R 8.43 3.96 0.00 1.83 2.00 0.00 3.25 0.00 0.00 3.13 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.80 0.00 65 Q 7.73 4.12 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.74 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 66 A 7.47 4.19 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 67 H 7.80 4.44 0.00 3.23 3.33 0.00 5.59 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *75 D 7.54 4.48 0.00 2.79 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 76 L 8.15 4.57 0.00 1.82 1.59 0.95 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 77 C 8.73 5.24 0.00 2.97 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 78 V 8.40 4.60 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 0.86 0.00 0.00 0.97 0.00 0.00 79 I 8.17 4.31 1.88 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 1.31 0.70 0.92 0.00 0.00 80 G 7.57 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 0.00 0.00 0.00 81 I 8.47 4.98 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.95 1.09 0.00 0.00 82 V 8.74 4.20 2.43 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 1.00 0.00 0.00 1.08 0.00 0.00 83 D 8.75 4.80 0.00 2.59 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 84 E 7.59 4.91 0.00 1.80 1.47 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 2.04 2.19 0.00 85 V 8.73 4.55 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 1.06 0.00 0.00 1.15 0.00 0.00 86 V 8.47 4.93 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 0.86 0.00 0.00 0.93 0.00 0.00 87 S 9.40 4.54 0.00 3.87 3.66 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 0.00 0.00 0.00 0.00 88 G 9.68 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 89 G 8.59 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 0.00 0.00 0.00 90 Q 8.22 4.46 0.00 2.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.95 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 91 V 8.42 4.16 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 0.88 0.00 0.00 0.92 0.00 0.00 92 I 8.07 4.40 1.99 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.93 0.97 0.00 0.00 93 F 7.52 4.41 0.00 2.41 2.41 0.00 0.00 0.00 0.00 0.00 0.00 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 H 6.67 4.27 0.00 2.90 2.71 0.00 5.74 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 K 8.40 3.56 0.00 1.73 1.72 0.00 1.84 0.00 0.00 1.73 0.00 0.00 2.69 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.49 7.81 96 L 7.77 4.26 0.00 1.58 1.56 0.89 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 97 E 7.52 3.98 0.00 1.96 1.80 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 2.21 2.22 0.00 * Residues marked with a * may have inaccurate shift predictions.