NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 Q 4.1511 8.3331 118.8142 56.5379 29.9289 174.9925 9 G 3.6903 8.3290 108.0841 44.1874 0.0000 170.8485 10 I 4.3751 8.3414 120.3838 60.5727 39.0800 173.9873 11 L 4.5317 8.9338 130.0168 54.0346 43.2577 175.1828 12 S 5.2363 8.6807 120.8267 56.7466 65.1512 173.2395 13 L 4.5743 8.7564 126.7408 53.8558 45.0350 174.3140 14 A 5.1604 8.7177 128.5045 50.1334 20.9429 175.0965 15 L 4.4770 9.0536 123.8246 52.9172 42.8316 177.8026 16 K 3.9650 8.8682 126.7329 58.9434 32.6880 175.7712 17 D 4.7823 7.5824 116.1078 50.6374 42.5788 175.9019 18 K 4.0449 8.6741 117.7280 59.3189 31.9024 179.3909 19 A 4.0455 7.7363 120.8652 55.1820 18.2888 179.5636 20 A 4.0563 8.1705 119.3304 54.8440 18.4339 179.3055 21 L 3.8883 8.0536 118.5911 58.8119 41.8748 178.4117 22 Y 4.0706 7.9663 117.9809 60.8067 38.7758 178.0112 23 S 4.3592 8.0340 113.3734 61.2267 63.7125 176.0135 24 A 4.2680 8.1905 124.4974 55.7062 18.2362 177.4955 25 Y 4.7199 7.8242 117.1840 57.0121 39.2671 173.3597 *27 P 3.7764 0.0000 0.0000 62.2959 32.9983 177.5391 28 F 4.2907 7.6180 112.9285 58.8007 38.4973 175.8374 29 V 3.5482 6.5853 122.1915 61.6803 31.8985 175.1168 30 K 3.9942 8.4583 126.2818 58.3630 32.1813 176.8354 31 S 3.7830 9.3801 117.9938 58.8763 60.4923 171.6951 32 G 3.7516 9.4698 106.2862 45.9211 0.0000 173.0133 33 G 3.7798 6.8458 105.2502 45.5041 0.0000 171.8196 34 I 4.6155 8.0719 117.0357 60.0013 42.0198 172.7502 35 F 5.0177 8.9508 131.4330 56.7745 40.5758 175.0108 36 V 4.1169 7.8337 127.6057 60.0972 33.5271 173.0047 37 P 4.8067 0.0000 0.0000 63.2137 31.7048 175.9356 38 T 4.4066 8.3790 116.4165 60.8249 70.7399 171.0345 39 P 4.8191 0.0000 0.0000 62.3974 31.8287 175.5283 40 K 4.2627 8.1063 118.5195 56.5826 32.6725 176.3609 41 R 4.7773 8.0643 119.3322 55.0156 32.3926 175.9389 42 Y 4.5408 7.8900 117.6557 56.9752 41.1576 173.6500 *44 L 3.9958 8.4671 120.2244 56.9195 42.6066 177.0752 45 G 4.0664 8.7672 112.0617 44.7747 0.0000 173.4438 46 D 4.5173 8.0646 120.2547 54.4203 41.9964 175.6987 47 E 4.5607 9.0593 122.6528 57.3178 30.1476 176.8867 48 V 4.6485 9.4208 124.2414 59.8296 35.4604 174.1954 49 F 5.0292 8.9117 125.3845 56.8315 41.0619 173.7393 50 L 5.1426 8.3017 128.6428 53.0446 44.9256 174.5466 51 L 4.9565 9.0043 128.2973 53.2182 44.5857 174.5094 52 L 5.1652 9.2824 129.7694 53.5731 45.0368 174.9708 53 T 4.7823 8.5189 123.5002 61.9033 70.2197 174.1341 54 L 4.4917 8.3715 127.1082 53.4607 43.2280 174.8864 55 P 4.4709 0.0000 0.0000 63.2620 32.0147 175.6553 56 D 4.3474 8.6183 121.6581 55.2696 38.6945 173.6529 57 S 4.6978 7.9580 111.8352 57.0657 63.9616 173.5609 58 S 4.6362 8.4624 116.9836 57.8603 64.2480 173.8018 59 E 4.6214 7.5883 119.0449 54.5477 31.2317 175.2390 60 R 4.5565 8.3619 120.2625 55.0838 31.7534 175.6561 61 L 4.5273 8.7419 124.8422 52.3875 43.5131 174.0966 62 P 4.5896 0.0000 0.0000 62.0504 32.4229 176.3027 63 V 4.1044 8.3041 123.3616 61.0663 34.7821 174.1785 64 A 4.7691 8.7467 130.2841 50.6492 19.0482 175.7835 65 G 4.2009 8.7984 108.8546 44.9376 0.0000 169.7087 66 K 5.1043 8.5844 119.8281 54.2061 36.0414 175.4969 67 V 4.2461 8.9822 127.5466 63.5720 31.6758 176.2351 68 V 4.5337 8.4164 120.9450 60.8122 33.5347 176.0166 69 W 4.6132 7.7014 128.0646 56.5980 33.8019 173.0233 70 T 5.0288 7.6938 116.2086 60.4489 71.8444 173.3960 71 T 4.5797 8.4005 117.9925 61.6225 73.2924 172.5323 72 P 4.4001 0.0000 0.0000 62.4095 31.6321 172.3705 73 A 3.9668 8.4040 127.2600 52.6043 16.6249 178.3151 74 G 3.7639 8.3413 114.5125 46.9543 0.0000 173.5483 75 A 4.3729 7.6411 121.6625 52.7500 22.2864 177.0639 *78 N 4.6782 8.0354 110.9635 53.1061 40.9252 174.4888 79 R 4.1786 7.7467 118.3998 56.3544 31.2145 175.7924 80 A 4.6165 8.6953 126.6290 51.4031 19.6722 177.0373 81 A 4.2417 8.8863 121.3303 52.1479 19.8804 177.9487 82 G 4.1390 7.5847 106.1402 46.5292 0.0000 170.9672 83 I 5.1681 7.1387 112.2613 58.8439 41.4038 175.2341 84 G 4.1989 9.1965 112.3528 46.0760 0.0000 172.6213 85 V 4.7931 8.7976 127.9385 60.8454 33.9435 174.1284 86 Q 4.6531 9.2119 130.5184 54.6372 30.3603 174.8672 87 F 4.9626 8.2871 125.8627 57.6308 39.7758 173.7317 88 P 4.6119 0.0000 0.0000 62.1152 32.9763 175.1243 89 D 4.4569 8.5054 120.2290 55.6294 41.9454 176.6985 90 G 3.8947 8.8082 112.3562 44.1389 0.0000 171.6168 91 P 4.2035 0.0000 0.0000 66.1635 31.2853 178.5883 92 E 4.1493 8.2243 116.3397 58.7871 29.4563 179.3959 93 G 4.1351 7.8823 107.0302 46.8401 0.0000 175.3348 94 E 3.9651 8.1595 121.4387 58.9892 29.5833 178.5986 95 A 3.9728 7.9289 120.8020 55.3159 18.4147 179.8158 96 V 3.3626 7.2560 115.4878 65.9789 31.5342 178.3014 97 R 4.0863 7.9372 118.4683 59.5877 30.0278 178.2321 98 N 4.3619 8.6719 116.6692 56.2846 38.3092 177.5348 99 K 3.9502 8.0091 119.1171 59.4439 32.4187 179.2146 100 I 3.6797 7.6806 119.9347 64.4342 37.0118 178.2078 101 E 3.9154 8.4952 119.8707 59.7216 29.0123 179.6480 102 T 3.8612 7.9604 109.6838 64.9357 68.4894 176.5409 103 L 4.0088 7.6720 120.7302 56.6753 41.7173 178.3903 104 L 4.5152 7.6658 116.2131 54.8248 42.2182 178.1165 105 A 4.2460 7.5947 121.3304 54.8690 18.4836 177.5934 106 G 3.6999 7.9433 109.2119 45.8390 0.0000 173.4028 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 8 Q 8.33 4.15 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 5.93 0.00 0.00 0.00 0.00 0.00 2.18 2.34 0.00 9 G 8.33 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 0.00 0.00 0.00 10 I 8.34 4.38 1.94 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 1.38 0.56 1.08 0.00 0.00 11 L 8.93 4.53 0.00 1.90 1.74 0.98 0.39 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 12 S 8.68 5.24 0.00 3.93 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 13 L 8.76 4.57 0.00 1.75 1.44 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 14 A 8.72 5.16 1.21 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 0.00 0.00 0.00 15 L 9.05 4.48 0.00 1.65 1.63 0.95 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 16 K 8.87 3.97 0.00 1.73 1.85 0.00 1.78 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.44 7.81 17 D 7.58 4.78 0.00 2.90 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 18 K 8.67 4.04 0.00 1.84 1.94 0.00 1.68 0.00 0.00 1.84 0.00 0.00 3.24 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.55 1.52 7.81 19 A 7.74 4.05 1.35 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 0.00 0.00 0.00 20 A 8.17 4.06 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 21 L 8.05 3.89 0.00 1.80 1.91 0.90 0.79 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 22 Y 7.97 4.07 0.00 3.13 3.28 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 23 S 8.03 4.36 0.00 4.22 4.18 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.19 4.27 1.51 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 0.00 0.00 25 Y 7.82 4.72 0.00 2.96 2.82 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 0.00 0.00 0.00 *27 P 0.00 3.78 0.00 2.13 2.06 0.00 3.57 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.81 0.00 28 F 7.62 4.29 0.00 2.99 3.08 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 29 V 6.59 3.55 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 0.79 0.00 0.00 0.16 0.00 0.00 30 K 8.46 3.99 0.00 1.74 1.73 0.00 1.90 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.46 7.81 31 S 9.38 3.78 0.00 4.03 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 32 G 9.47 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 33 G 6.85 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 34 I 8.07 4.62 2.13 0.00 0.00 1.00 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 1.56 1.13 0.00 0.00 35 F 8.95 5.02 0.00 3.11 3.01 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 36 V 7.83 4.12 1.93 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 0.81 0.00 0.00 0.82 0.00 0.00 37 P 0.00 4.81 0.00 1.99 2.05 0.00 3.70 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.21 0.00 38 T 8.38 4.41 4.28 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 1.26 0.00 0.00 39 P 0.00 4.82 0.00 2.22 2.14 0.00 3.86 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 1.92 1.98 0.00 40 K 8.11 4.26 0.00 1.90 1.63 0.00 1.70 0.00 0.00 1.55 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.46 7.81 41 R 8.06 4.78 0.00 1.73 1.81 0.00 3.16 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 42 Y 7.89 4.54 0.00 2.81 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 *44 L 8.47 4.00 0.00 1.65 1.68 0.89 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 45 G 8.77 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 0.00 0.00 0.00 0.00 46 D 8.06 4.52 0.00 2.75 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 47 E 9.06 4.56 0.00 1.91 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 2.37 2.38 0.00 48 V 9.42 4.65 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 0.70 0.00 0.00 0.89 0.00 0.00 49 F 8.91 5.03 0.00 3.19 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 50 L 8.30 5.14 0.00 1.66 1.44 0.90 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 51 L 9.00 4.96 0.00 1.73 1.50 0.97 0.36 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 52 L 9.28 5.17 0.00 1.63 1.51 0.94 -0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 53 T 8.52 4.78 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 54 L 8.37 4.49 0.00 1.57 1.55 0.85 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 55 P 0.00 4.47 0.00 1.93 2.22 0.00 3.87 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.17 0.00 56 D 8.62 4.35 0.00 2.76 2.70 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 S 7.96 4.70 0.00 3.84 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 58 S 8.46 4.64 0.00 3.99 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 59 E 7.59 4.62 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 2.19 2.22 0.00 60 R 8.36 4.56 0.00 1.71 1.89 0.00 3.18 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 61 L 8.74 4.53 0.00 1.69 1.43 0.86 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 62 P 0.00 4.59 0.00 1.81 1.86 0.00 3.53 0.00 0.00 3.71 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 63 V 8.30 4.10 1.73 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 0.78 0.00 0.00 0.60 0.00 0.00 64 A 8.75 4.77 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 65 G 8.80 4.20 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 0.00 0.00 0.00 66 K 8.58 5.10 0.00 1.84 1.62 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.82 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.38 7.81 67 V 8.98 4.25 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 0.88 0.00 0.00 0.87 0.00 0.00 68 V 8.42 4.53 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 0.73 0.00 0.00 0.98 0.00 0.00 69 W 7.70 4.61 0.00 3.55 2.96 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 70 T 7.69 5.03 4.17 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 1.18 0.00 0.00 71 T 8.40 4.58 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 1.28 0.00 0.00 72 P 0.00 4.40 0.00 2.18 2.12 0.00 3.79 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.93 0.00 73 A 8.40 3.97 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 74 G 8.34 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 75 A 7.64 4.37 1.24 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 0.00 0.00 0.00 *78 N 8.04 4.68 0.00 2.71 2.92 0.00 0.00 6.90 7.65 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 79 R 7.75 4.18 0.00 1.90 1.74 0.00 2.91 0.00 0.00 2.50 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 80 A 8.70 4.62 1.35 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 0.00 0.00 0.00 81 A 8.89 4.24 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 82 G 7.58 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 0.00 0.00 0.00 83 I 7.14 5.17 1.72 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.65 0.81 0.00 0.00 84 G 9.20 4.20 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 0.00 0.00 0.00 85 V 8.80 4.79 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 0.95 0.00 0.00 0.81 0.00 0.00 86 Q 9.21 4.65 0.00 2.06 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.71 0.00 0.00 0.00 0.00 0.00 2.28 2.41 0.00 87 F 8.29 4.96 0.00 3.04 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 88 P 0.00 4.61 0.00 2.14 2.33 0.00 3.73 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.00 0.00 89 D 8.51 4.46 0.00 2.68 2.63 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 0.00 0.00 0.00 90 G 8.81 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 0.00 0.00 0.00 91 P 0.00 4.20 0.00 2.16 2.15 0.00 3.60 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.22 0.00 92 E 8.22 4.15 0.00 1.98 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 2.36 2.35 0.00 93 G 7.88 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 0.00 0.00 0.00 94 E 8.16 3.97 0.00 2.25 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 0.00 2.32 2.36 0.00 95 A 7.93 3.97 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 96 V 7.26 3.36 1.70 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 0.44 0.00 0.00 0.68 0.00 0.00 97 R 7.94 4.09 0.00 2.31 2.20 0.00 3.25 0.00 0.00 3.39 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.92 0.00 98 N 8.67 4.36 0.00 3.06 2.83 0.00 0.00 7.07 7.35 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 99 K 8.01 3.95 0.00 1.77 1.81 0.00 1.64 0.00 0.00 1.64 0.00 0.00 3.11 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.56 7.81 100 I 7.68 3.68 1.58 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 1.37 0.93 0.19 0.00 0.00 101 E 8.50 3.92 0.00 2.03 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 2.39 2.38 0.00 102 T 7.96 3.86 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 1.30 0.00 0.00 103 L 7.67 4.01 0.00 1.84 1.76 0.89 0.98 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 0.00 104 L 7.67 4.52 0.00 1.62 1.79 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 105 A 7.59 4.25 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 0.00 106 G 7.94 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.