NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6243 8.1627 120.3515 54.7652 33.4948 174.4392 2 Q 3.7420 9.2878 124.1939 57.1584 29.5371 175.9871 3 F 4.2559 10.2708 124.6869 57.5930 38.7023 173.6823 4 K 4.8437 7.7362 121.5458 54.9021 34.0618 175.7812 5 V 4.3983 8.1562 124.5096 60.7064 33.3152 174.7684 6 Y 4.6475 7.4262 124.3216 55.5537 41.3220 174.4734 7 T 4.7576 7.9179 114.2101 62.6733 73.4504 172.6774 8 Y 4.9496 8.9654 123.0850 57.2443 39.1070 176.8972 9 K 5.0279 9.2271 131.7198 55.9535 33.7163 172.4323 *12 S 3.9928 8.1815 120.3314 58.0380 65.1211 175.2769 13 R 3.8185 7.7293 122.9822 56.2688 29.3029 175.0995 14 Y 4.8985 7.2057 116.5189 57.1326 39.8816 176.9126 15 R 4.4535 9.0854 121.4118 58.6016 30.2461 176.6887 16 L 5.2926 7.9631 116.1906 53.0099 46.5790 175.6664 17 F 5.3982 8.2455 114.4573 55.5567 41.9763 173.2010 18 V 4.8213 8.7072 120.9560 61.1138 33.7737 174.1103 19 D 4.8823 9.2908 128.4187 54.6067 41.7440 176.2331 20 V 4.3558 8.2068 118.2668 61.0349 32.6407 175.7692 21 Q 4.2597 7.9183 122.0943 54.3610 29.9040 175.5036 22 S 4.2192 8.4308 118.9480 58.9229 62.7672 174.3847 23 D 4.6202 8.6345 125.4281 55.6812 40.7124 176.6685 24 I 4.3675 7.5685 119.4313 60.7098 37.3928 175.2640 25 I 4.3932 7.3651 121.2550 59.4768 39.4079 174.4482 26 D 4.6495 8.7012 126.0025 53.3539 41.8646 175.7556 27 T 4.0643 8.6199 116.9945 61.2309 69.9072 170.2896 28 P 3.8365 0.0000 0.0000 63.6470 32.0186 173.0048 29 G 4.0063 8.9711 110.6547 44.7452 0.0000 172.6598 30 R 5.0036 6.8700 116.3839 53.7547 33.4011 175.4655 31 R 4.4225 7.6397 114.7082 56.2033 33.5194 173.1190 32 M 4.5742 8.9573 127.3461 55.2318 33.3867 175.6536 33 V 5.0272 8.8377 122.2525 61.3409 36.3702 174.0382 34 I 4.9526 8.6299 124.1387 58.4549 40.2024 173.5041 35 P 4.7805 0.0000 0.0000 63.0980 32.3985 175.0578 36 L 5.1613 9.2005 123.2149 53.3859 43.0729 175.6894 37 A 5.1212 9.2259 126.3848 49.7217 21.9756 176.0082 38 S 3.3058 8.6924 115.5284 58.0994 63.1587 174.6904 39 A 3.9191 8.7519 134.0918 56.1483 18.3549 180.1637 40 R 3.8281 8.1725 114.7829 60.1329 29.2307 180.1447 41 L 4.1712 7.4649 116.3245 55.6917 40.9790 178.6191 42 L 4.9282 7.7469 116.4187 53.5323 45.5297 176.0645 43 S 4.5250 8.2927 117.0404 57.8710 64.2383 175.6049 44 D 4.5186 8.7627 123.1679 55.4940 39.7105 177.8111 *45 K 4.2058 7.9203 120.5892 57.9808 32.0472 183.5493 46 V 3.5268 7.7361 117.8874 62.8577 31.8572 174.9309 47 S 4.0768 8.9967 120.5261 59.3060 62.1101 174.4478 48 R 4.5582 8.6586 125.5188 56.9711 30.4643 177.3006 49 E 4.2616 8.1285 119.6509 58.6621 30.1228 178.4433 50 L 4.0532 7.8863 118.2733 56.8859 42.7772 176.0809 51 Y 5.0246 7.6765 115.7984 54.8926 36.9085 173.9701 52 P 4.5635 0.0000 0.0000 63.1701 33.0652 176.3200 53 V 4.9620 8.3405 121.2785 61.7003 33.4086 175.2510 54 V 4.6587 8.7589 119.2422 60.0126 36.3532 173.5851 55 H 5.1000 8.9480 123.9418 55.0717 31.3685 174.4746 56 I 4.4489 8.3686 125.7469 60.6665 41.2857 176.5911 57 G 3.9536 9.3086 120.8360 47.2632 0.0000 173.7903 *58 D 4.9610 9.3659 118.4494 52.4092 41.8287 176.1871 59 E 4.8614 7.9759 117.2538 55.7554 33.7687 174.3567 60 S 5.2707 8.1746 115.8337 57.2928 65.2058 173.4861 61 W 5.3236 9.4221 122.8552 54.9785 33.3937 174.3590 62 R 5.1741 9.4642 121.7797 54.7661 32.5115 175.2152 63 M 4.7246 8.9662 124.3470 54.2517 32.1399 177.8128 64 M 4.6286 8.7117 128.9415 54.6768 31.2572 177.6098 65 T 4.0489 8.0474 119.5567 67.2116 69.2282 176.6516 66 T 4.1068 8.0087 108.1207 63.3006 68.9740 174.2782 67 D 4.8049 9.0911 122.0982 53.9666 41.3184 175.8041 68 M 4.1393 7.4274 119.1090 56.3192 32.4946 175.4098 69 A 4.6798 8.8351 125.5764 50.8228 23.4495 175.0539 70 S 4.6540 8.5434 114.3988 58.0228 63.5660 173.5387 71 V 4.4793 8.9388 126.7436 60.0816 34.5676 172.9056 72 P 4.5863 0.0000 0.0000 62.4744 32.0029 177.3733 73 V 3.1025 10.0426 117.7492 64.4586 31.7288 178.7164 74 S 4.1795 8.0497 112.9032 60.6806 62.9129 175.2610 75 V 3.9838 8.6804 121.4373 63.9233 31.8089 175.6746 76 I 4.5370 7.5268 121.6249 61.6524 38.2291 174.4546 77 G 4.4857 9.0614 121.2092 46.7326 0.0000 176.7569 *78 E 4.9205 8.8322 123.1967 53.8167 32.8088 173.5645 79 E 3.8073 8.8733 124.1946 56.1790 29.9363 176.4762 80 V 4.3269 8.1115 124.9185 61.7858 33.1278 174.4498 81 A 4.1637 6.7377 121.1303 52.7959 21.2234 174.5177 82 D 4.9796 8.5422 118.2440 52.7062 43.7530 175.5544 83 L 4.8435 8.8300 127.9671 54.5382 42.8024 179.0304 84 S 3.5780 8.5187 118.0790 61.4100 62.8494 175.8508 85 H 4.4984 8.1057 113.2349 56.2955 28.7233 175.6122 86 R 4.3874 7.4418 118.6530 55.8616 30.9886 176.8037 87 E 3.2540 7.4914 120.2917 59.7610 29.4497 179.0013 88 N 4.3140 7.9867 115.3901 56.3315 38.5724 177.0774 89 D 4.4018 7.9543 120.0548 57.2455 40.9968 178.6318 90 I 3.8151 7.8591 120.4509 64.3537 37.1327 178.5535 91 K 4.2008 8.5835 119.0941 58.7915 31.8911 178.9110 92 N 4.4444 8.0514 116.4640 55.3668 38.4211 177.1972 93 A 4.1174 7.6545 122.9881 54.6831 18.8373 179.3127 94 I 3.9559 7.9435 118.0514 64.7167 37.2908 178.0846 95 N 4.8497 8.4144 117.8083 57.0311 38.8434 176.6028 96 L 4.1874 8.5119 121.6404 57.9717 41.8228 178.5764 97 M 3.7859 7.7976 117.7909 57.7934 32.2719 177.2317 98 F 4.4008 7.9379 114.6907 57.2363 40.3840 176.1837 99 W 4.6523 8.4611 116.8425 55.1480 31.0485 177.2347 100 G 3.9970 8.4742 105.3585 45.7114 0.0000 173.8678 101 I 4.2227 7.5064 124.6680 61.4393 38.1805 174.9958 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 4.62 0.00 2.16 2.17 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 2.66 2.57 0.00 2 Q 9.29 3.74 0.00 2.07 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 5.78 0.00 0.00 0.00 0.00 0.00 1.16 1.55 0.00 3 F 10.27 4.26 0.00 3.30 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 4 K 7.74 4.84 0.00 1.70 1.18 0.00 1.70 0.00 0.00 2.03 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.39 7.81 5 V 8.16 4.40 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 0.71 0.00 0.00 0.62 0.00 0.00 6 Y 7.43 4.65 0.00 1.53 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 7 T 7.92 4.76 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 1.38 0.00 0.00 8 Y 8.97 4.95 0.00 2.89 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.23 5.03 0.00 1.42 1.61 0.00 1.84 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.14 1.03 7.81 *12 S 8.18 3.99 0.00 3.89 4.02 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 0.00 0.00 0.00 13 R 7.73 3.82 0.00 1.72 1.78 0.00 2.93 0.00 0.00 2.96 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.63 0.00 14 Y 7.21 4.90 0.00 3.12 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 15 R 9.09 4.45 0.00 1.83 1.84 0.00 3.21 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.22 0.00 16 L 7.96 5.29 0.00 1.18 1.22 0.75 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 17 F 8.25 5.40 0.00 2.78 2.95 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 18 V 8.71 4.82 2.17 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 1.02 0.00 0.00 0.95 0.00 0.00 19 D 9.29 4.88 0.00 3.22 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 20 V 8.21 4.36 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 0.81 0.00 0.00 0.98 0.00 0.00 21 Q 7.92 4.26 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.78 0.00 0.00 0.00 0.00 0.00 2.28 2.23 0.00 22 S 8.43 4.22 0.00 3.85 3.69 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 23 D 8.63 4.62 0.00 2.70 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 24 I 7.57 4.37 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 1.30 0.44 0.90 0.00 0.00 25 I 7.37 4.39 1.96 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 1.16 0.85 0.88 0.00 0.00 26 D 8.70 4.65 0.00 2.60 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.62 4.06 4.21 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 0.00 0.00 0.00 1.24 0.00 0.00 28 P 0.00 3.84 0.00 2.33 2.29 0.00 3.77 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 1.87 1.92 0.00 29 G 8.97 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 30 R 6.87 5.00 0.00 1.64 1.82 0.00 3.28 0.00 0.00 2.25 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.40 0.00 31 R 7.64 4.42 0.00 1.78 1.58 0.00 3.16 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.51 0.00 32 M 8.96 4.57 0.00 1.94 2.05 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.59 0.00 33 V 8.84 5.03 1.87 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 0.93 0.00 0.00 0.56 0.00 0.00 34 I 8.63 4.95 1.93 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.66 0.95 0.00 0.00 35 P 0.00 4.78 0.00 0.83 2.14 0.00 3.67 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 1.84 1.92 0.00 36 L 9.20 5.16 0.00 1.58 1.84 0.67 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 37 A 9.23 5.12 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 38 S 8.69 3.31 0.00 3.42 3.54 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 0.00 0.00 0.00 0.00 39 A 8.75 3.92 1.27 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 0.00 0.00 0.00 40 R 8.17 3.83 0.00 1.84 1.89 0.00 3.29 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.23 0.00 41 L 7.46 4.17 0.00 1.62 1.62 0.92 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 42 L 7.75 4.93 0.00 1.90 1.48 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.29 4.53 0.00 3.98 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 44 D 8.76 4.52 0.00 2.72 2.62 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 *45 K 7.92 4.21 0.00 1.79 1.75 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.39 1.24 7.81 46 V 7.74 3.53 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 0.69 0.00 0.00 0.85 0.00 0.00 47 S 9.00 4.08 0.00 4.00 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 48 R 8.66 4.56 0.00 1.88 1.98 0.00 3.28 0.00 0.00 3.25 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 49 E 8.13 4.26 0.00 2.08 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 2.30 2.29 0.00 50 L 7.89 4.05 0.00 1.46 1.53 0.65 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 51 Y 7.68 5.02 0.00 3.01 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.56 0.00 2.16 2.23 0.00 3.79 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 2.14 2.02 0.00 53 V 8.34 4.96 2.14 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 0.95 0.00 0.00 0.99 0.00 0.00 54 V 8.76 4.66 2.14 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 0.70 0.00 0.00 1.03 0.00 0.00 55 H 8.95 5.10 0.00 3.21 3.29 0.00 5.87 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 I 8.37 4.45 1.43 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.74 0.63 0.00 0.00 57 G 9.31 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 *58 D 9.37 4.96 0.00 2.66 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 59 E 7.98 4.86 0.00 2.04 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 0.00 2.18 2.32 0.00 60 S 8.17 5.27 0.00 3.74 3.79 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 61 W 9.42 5.32 0.00 3.26 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 62 R 9.46 5.17 0.00 1.85 1.89 0.00 3.41 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.73 0.00 63 M 8.97 4.72 0.00 1.96 2.11 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 2.71 2.59 0.00 64 M 8.71 4.63 0.00 2.31 1.89 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.66 0.00 65 T 8.05 4.05 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 1.10 0.00 0.00 66 T 8.01 4.11 4.34 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 1.27 0.00 0.00 67 D 9.09 4.80 0.00 2.94 2.84 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 68 M 7.43 4.14 0.00 2.12 2.25 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.61 0.00 69 A 8.84 4.68 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.54 4.65 0.00 3.86 3.73 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 71 V 8.94 4.48 1.62 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 0.68 0.00 0.00 0.62 0.00 0.00 72 P 0.00 4.59 0.00 2.25 2.16 0.00 3.75 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.99 0.00 73 V 10.04 3.10 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 0.71 0.00 0.00 0.93 0.00 0.00 74 S 8.05 4.18 0.00 3.98 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 75 V 8.68 3.98 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 1.21 0.00 0.00 0.98 0.00 0.00 76 I 7.53 4.54 1.95 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.62 0.62 0.00 0.00 77 G 9.06 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 0.00 0.00 0.00 0.00 *78 E 8.83 4.92 0.00 1.65 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 1.84 0.00 79 E 8.87 3.81 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 2.02 1.75 0.00 80 V 8.11 4.33 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 0.69 0.00 0.00 0.86 0.00 0.00 81 A 6.74 4.16 1.08 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 82 D 8.54 4.98 0.00 2.54 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 83 L 8.83 4.84 0.00 1.69 1.53 0.91 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 84 S 8.52 3.58 0.00 3.84 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 85 H 8.11 4.50 0.00 3.23 3.35 0.00 5.46 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 R 7.44 4.39 0.00 1.80 1.80 0.00 3.20 0.00 0.00 3.05 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.54 0.00 87 E 7.49 3.25 0.00 1.16 1.60 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 2.25 2.46 0.00 88 N 7.99 4.31 0.00 2.73 2.83 0.00 0.00 7.02 8.08 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 89 D 7.95 4.40 0.00 2.85 2.71 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 0.00 0.00 0.00 0.00 90 I 7.86 3.82 2.23 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.83 1.09 0.00 0.00 91 K 8.58 4.20 0.00 1.99 1.91 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.46 1.35 7.81 92 N 8.05 4.44 0.00 2.92 2.86 0.00 0.00 6.70 6.71 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 93 A 7.65 4.12 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 94 I 7.94 3.96 2.04 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.88 1.23 0.00 0.00 95 N 8.41 4.85 0.00 2.99 2.87 0.00 0.00 6.95 6.44 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 96 L 8.51 4.19 0.00 2.10 1.85 1.02 0.89 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 97 M 7.80 3.79 0.00 1.49 1.75 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.59 0.00 98 F 7.94 4.40 0.00 2.38 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 99 W 8.46 4.65 0.00 3.72 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 0.00 100 G 8.47 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 I 7.51 4.22 1.92 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 1.20 0.97 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.