NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *3 H 4.7657 8.3033 119.2813 53.5224 30.4572 171.7025 4 K 4.6560 7.8135 119.2445 53.5547 34.5379 169.9249 5 V 4.3080 8.8186 126.1617 61.2031 35.2271 174.2168 6 T 5.1190 8.3617 116.0544 58.4651 72.2855 174.0277 7 K 3.8448 8.6456 120.6257 59.5949 32.2044 178.4833 8 A 3.9425 7.5373 120.8623 55.1024 18.4102 177.6558 9 H 4.6921 8.5055 111.8036 55.3330 29.0050 174.2588 10 N 3.7382 7.9621 119.2658 55.4473 38.7407 175.2098 11 G 3.9159 9.2967 115.0578 45.1032 0.0000 173.3234 12 A 4.3133 8.0921 122.1633 52.2396 19.9055 176.4152 13 T 5.0903 8.3962 115.9104 61.9160 70.6882 173.9716 14 L 4.6709 9.2604 126.8382 53.4958 44.1082 175.5973 15 T 4.8308 8.4403 120.2222 62.6229 69.6509 174.4725 16 V 4.7673 8.9899 119.0397 59.5229 36.8454 174.4646 17 A 4.9577 9.3313 123.9138 50.4686 20.7324 177.4214 18 V 3.7543 8.4424 120.9220 64.7753 31.9001 176.7374 19 G 4.0151 9.5447 117.0521 44.9978 0.0000 173.2863 20 E 4.1350 8.0957 121.8049 56.0217 30.8317 175.3010 21 L 4.6105 8.4527 128.6974 54.2538 43.5823 175.4915 22 V 4.4227 8.9673 126.4953 61.0979 34.1383 173.5763 23 E 5.0067 9.5123 129.9772 54.9555 31.3501 174.3325 24 I 4.8104 9.2617 128.7484 59.6569 39.9851 174.5387 25 Q 4.9093 9.1700 126.7291 53.9771 31.4315 174.7253 26 L 4.6975 8.7868 123.5425 51.7926 45.8064 174.4262 27 P 4.8643 0.0000 0.0000 63.3442 32.2475 175.8143 28 S 4.7972 9.1626 117.2754 57.4707 66.6904 172.7012 29 N 5.2120 9.9050 126.1632 50.7694 39.3959 172.7879 30 P 4.2869 0.0000 0.0000 64.9867 31.5847 178.6907 31 T 4.0527 8.0081 108.8680 63.6618 68.8549 175.4252 32 T 4.1935 8.1225 112.1117 62.3124 69.1327 175.9454 33 G 4.2803 8.5408 111.5041 45.5366 0.0000 173.5400 34 F 3.8843 7.9724 117.8714 57.4728 39.6618 174.5540 35 A 4.5748 8.4854 122.8446 50.5454 23.4086 174.6988 36 W 4.9671 9.4386 119.5302 56.6209 29.9788 176.4473 37 Y 5.1177 9.1420 121.3202 56.2199 42.4750 174.9667 38 F 4.9974 9.1905 120.7548 56.3075 40.6032 174.5611 39 E 4.1038 9.0587 120.8669 58.4164 29.6187 177.6362 40 G 3.9185 8.7686 113.1875 44.6600 0.0000 173.2217 41 G 3.3934 8.0951 107.0943 46.9059 0.0000 173.5017 42 T 4.9304 7.8672 107.2436 59.5358 71.8221 174.4024 43 K 4.7752 9.0208 122.9512 57.8248 32.8579 177.9471 44 E 4.3102 8.1872 115.7215 55.0048 30.4191 182.0447 45 S 3.4284 8.4967 117.1022 57.3702 62.6763 172.9906 46 P 4.1267 0.0000 0.0000 64.8288 31.4680 176.2695 47 N 4.4661 7.5867 117.2360 52.2599 39.7321 174.2100 48 E 4.0767 8.4554 125.6206 58.6232 29.8096 179.3343 49 S 4.2371 7.8183 113.8423 61.3224 63.4461 175.6294 50 M 4.2600 8.1016 120.4533 57.1552 32.1690 175.7705 51 F 5.3606 6.9267 111.7570 55.9647 41.6671 172.6454 52 T 4.7384 9.3145 117.4304 62.2096 70.9271 173.8844 53 V 5.1787 8.3938 123.7085 61.3856 34.4441 174.3219 54 E 4.9842 9.6450 127.1214 54.7100 32.8127 174.5169 55 N 5.2655 8.5400 119.7552 51.9443 42.5547 173.2948 56 K 4.5433 8.8685 125.1819 55.0014 36.3232 173.8501 57 Y 5.0309 8.4454 127.1528 56.2691 41.0227 173.9122 58 F 4.4938 8.8175 126.2325 54.6245 40.8829 173.6991 59 P 4.7377 0.0000 0.0000 61.0095 32.3098 174.5802 60 P 4.4284 0.0000 0.0000 62.5739 31.9896 177.0785 61 D 4.3908 8.8438 121.1402 57.6288 40.8856 178.3975 62 S 4.0789 8.2557 114.7204 59.9334 63.0102 175.3282 63 K 3.9454 8.0115 120.1882 55.1096 29.8223 179.7162 64 L 4.3704 7.5773 119.2100 54.8108 42.2503 176.8419 65 L 4.1978 8.3397 123.1483 56.3167 41.9853 177.9349 66 G 3.9548 8.9997 110.6533 45.3360 0.0000 173.4417 67 A 4.2993 7.6435 122.7894 51.4153 19.2473 177.7916 68 G 4.0542 8.6162 110.6706 45.4475 0.0000 174.2231 69 G 4.3980 9.2397 109.2792 45.9801 0.0000 172.6577 70 T 5.2759 8.6456 119.1627 62.0613 73.1660 173.1164 71 E 5.0389 9.5872 126.3535 55.8291 31.6189 174.8331 72 H 5.4030 9.5280 121.0925 54.0811 31.7561 173.1998 73 F 5.1428 9.6057 121.9295 56.0414 41.9313 174.0990 74 H 5.2748 9.7421 121.8781 54.4718 30.5891 173.8982 75 V 4.9501 9.0760 124.9867 61.4811 33.7209 174.4373 76 T 5.2235 9.1089 125.0930 60.8107 70.9294 173.8145 77 V 4.2526 8.4702 127.3658 62.9835 32.3294 176.2588 78 K 4.1621 9.3592 125.6650 56.2830 34.1786 176.0628 79 A 4.8818 7.8605 119.6443 49.5443 22.2753 175.8299 80 A 4.2141 8.7128 121.7942 52.6447 19.6561 176.5488 81 G 3.9059 8.0860 105.5543 43.6956 0.0000 172.7903 82 T 4.9340 8.0563 116.7390 62.4330 69.7139 174.3089 83 H 5.0888 9.3205 124.7666 53.9241 31.2220 173.8458 84 A 4.4129 8.8354 125.5159 51.1533 19.9285 176.6029 85 V 4.1756 8.4650 123.8335 61.3767 33.1708 174.2354 86 N 5.2175 9.0693 127.9788 52.0184 41.0054 172.9651 87 L 5.1534 9.2590 126.3603 53.3125 45.8688 175.9547 88 T 5.2052 8.9777 116.7841 62.2378 73.1367 172.7900 89 Y 4.2976 8.8040 128.3445 56.8691 38.7232 174.1831 90 M 4.6804 8.7722 123.9954 53.6816 35.5683 174.3801 91 R 3.5270 7.1844 118.6296 53.9311 30.5448 176.3506 92 P 3.7218 0.0000 0.0000 64.7179 31.4439 177.3874 93 W 4.3805 7.1436 114.4355 57.9666 28.7782 176.7499 94 T 4.0490 7.0425 114.8654 63.4961 69.3664 175.5118 95 G 3.7308 7.7666 108.5844 43.6982 0.0000 170.8920 96 P 4.5199 0.0000 0.0000 62.5120 32.4077 175.4730 97 S 4.6029 9.0256 113.3667 57.4952 65.7787 174.1915 98 H 4.3288 8.8030 114.5715 58.1712 28.4268 175.6407 99 D 4.7825 7.0329 118.0891 53.8404 40.9132 176.5921 100 S 4.2656 7.7536 116.7348 58.3073 63.5189 173.7573 101 E 4.2825 8.7158 125.9603 56.4182 30.5174 175.5818 102 R 5.4975 8.7360 124.2023 54.6428 34.5647 174.4278 103 F 5.0299 9.6405 122.6779 56.7938 43.0669 173.1519 104 I 5.3871 8.7897 125.1805 58.1707 41.6445 174.0286 105 V 4.2787 7.6352 126.6401 60.0330 35.1644 173.4637 106 Y 4.8999 9.0724 120.8213 56.4871 40.4418 174.6760 107 L 4.8944 9.1445 124.5443 53.0113 44.0336 175.9037 108 K 4.7146 9.5924 128.1301 55.3497 32.8821 175.0311 109 A 5.8520 9.0092 129.9766 49.5994 22.4377 175.8116 110 N 4.5692 8.3941 116.8006 53.7115 39.9574 174.5778 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 *3 H 8.30 4.77 0.00 2.62 3.04 0.00 7.10 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 K 7.81 4.66 0.00 1.62 1.67 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.72 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.27 1.45 7.81 5 V 8.82 4.31 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 1.15 0.00 0.00 0.86 0.00 0.00 6 T 8.36 5.12 4.16 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 1.15 0.00 0.00 7 K 8.65 3.84 0.00 1.73 1.84 0.00 1.94 0.00 0.00 1.60 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.56 1.64 7.81 8 A 7.54 3.94 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 9 H 8.51 4.69 0.00 3.39 3.34 0.00 5.65 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 N 7.96 3.74 0.00 2.91 2.72 0.00 0.00 7.22 7.50 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 11 G 9.30 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 0.00 0.00 0.00 12 A 8.09 4.31 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 13 T 8.40 5.09 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 1.23 0.00 0.00 14 L 9.26 4.67 0.00 1.59 1.56 0.91 0.75 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 15 T 8.44 4.83 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 1.21 0.00 0.00 16 V 8.99 4.77 2.16 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 0.74 0.00 0.00 0.95 0.00 0.00 17 A 9.33 4.96 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 18 V 8.44 3.75 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 0.82 0.00 0.00 0.98 0.00 0.00 19 G 9.54 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 0.00 0.00 0.00 20 E 8.10 4.13 0.00 2.11 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 2.30 2.25 0.00 21 L 8.45 4.61 0.00 1.67 1.52 0.95 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 22 V 8.97 4.42 2.16 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 0.76 0.00 0.00 0.91 0.00 0.00 23 E 9.51 5.01 0.00 1.96 1.75 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 2.18 2.38 0.00 24 I 9.26 4.81 1.88 0.00 0.00 0.83 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 0.62 0.39 0.00 0.00 25 Q 9.17 4.91 0.00 1.71 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.76 0.00 0.00 0.00 0.00 0.00 1.60 2.02 0.00 26 L 8.79 4.70 0.00 0.71 0.58 -1.01 -0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.86 0.00 1.93 2.00 0.00 3.61 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 28 S 9.16 4.80 0.00 4.39 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 29 N 9.90 5.21 0.00 2.80 2.80 0.00 0.00 6.66 7.36 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 30 P 0.00 4.29 0.00 2.08 1.90 0.00 3.77 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.92 0.00 31 T 8.01 4.05 4.29 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 0.00 0.00 0.00 1.25 0.00 0.00 32 T 8.12 4.19 4.51 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 1.33 0.00 0.00 33 G 8.54 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 0.00 0.00 0.00 0.00 34 F 7.97 3.88 0.00 2.19 1.45 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.49 4.57 0.95 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 36 W 9.44 4.97 0.00 3.59 3.18 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 37 Y 9.14 5.12 0.00 2.96 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 38 F 9.19 5.00 0.00 3.39 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 39 E 9.06 4.10 0.00 2.04 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 0.00 2.35 2.41 0.00 40 G 8.77 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 0.00 0.00 0.00 41 G 8.10 3.39 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 0.00 42 T 7.87 4.93 4.41 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 1.27 0.00 0.00 43 K 9.02 4.78 0.00 1.99 2.17 0.00 1.86 0.00 0.00 2.04 0.00 0.00 3.07 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.66 1.75 7.81 44 E 8.19 4.31 0.00 1.99 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 0.00 2.23 1.86 0.00 45 S 8.50 3.43 0.00 3.58 3.71 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 46 P 0.00 4.13 0.00 1.91 2.02 0.00 2.99 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.87 0.00 47 N 7.59 4.47 0.00 2.49 2.36 0.00 0.00 7.01 7.17 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 48 E 8.46 4.08 0.00 1.92 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 2.22 2.20 0.00 49 S 7.82 4.24 0.00 3.91 3.90 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 50 M 8.10 4.26 0.00 2.14 1.98 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.58 0.00 51 F 6.93 5.36 0.00 3.17 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 52 T 9.31 4.74 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 1.27 0.00 0.00 53 V 8.39 5.18 2.37 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 1.47 0.00 0.00 1.36 0.00 0.00 54 E 9.65 4.98 0.00 1.97 1.83 0.00 0.00 0.00 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 2.29 0.00 55 N 8.54 5.27 0.00 2.21 2.53 0.00 0.00 6.72 6.68 0.00 0.00 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 K 8.87 4.54 0.00 1.67 1.47 0.00 1.43 0.00 0.00 0.92 0.00 0.00 2.48 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.60 1.07 7.81 57 Y 8.45 5.03 0.00 3.11 2.80 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 58 F 8.82 4.49 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 59 P 0.00 4.74 0.00 2.11 2.22 0.00 3.17 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.82 0.00 60 P 0.00 4.43 0.00 2.27 2.50 0.00 3.82 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.17 0.00 61 D 8.84 4.39 0.00 2.69 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 62 S 8.26 4.08 0.00 3.99 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 63 K 8.01 3.95 0.00 1.95 1.77 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.29 1.26 7.81 64 L 7.58 4.37 0.00 1.74 1.63 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 65 L 8.34 4.20 0.00 1.65 1.64 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 66 G 9.00 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 67 A 7.64 4.30 1.37 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 68 G 8.62 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 69 G 9.24 4.40 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 0.00 70 T 8.65 5.28 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 1.20 0.00 0.00 71 E 9.59 5.04 0.00 2.13 1.75 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 2.46 2.65 0.00 72 H 9.53 5.40 0.00 3.12 3.20 0.00 5.58 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 F 9.61 5.14 0.00 2.93 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 74 H 9.74 5.27 0.00 3.11 3.29 0.00 5.60 0.00 0.00 0.00 0.00 6.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 V 9.08 4.95 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 0.78 0.00 0.00 1.04 0.00 0.00 76 T 9.11 5.22 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 1.28 0.00 0.00 77 V 8.47 4.25 2.12 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 1.07 0.00 0.00 0.94 0.00 0.00 78 K 9.36 4.16 0.00 1.87 1.81 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.59 1.66 7.81 79 A 7.86 4.88 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 80 A 8.71 4.21 1.26 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 0.00 0.00 0.00 81 G 8.09 3.91 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 0.00 0.00 0.00 82 T 8.06 4.93 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 1.26 0.00 0.00 83 H 9.32 5.09 0.00 3.02 3.43 0.00 5.61 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 A 8.84 4.41 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 85 V 8.46 4.18 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 0.93 0.00 0.00 0.32 0.00 0.00 86 N 9.07 5.22 0.00 2.97 2.80 0.00 0.00 6.91 6.66 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 87 L 9.26 5.15 0.00 1.55 1.64 -0.08 -1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 88 T 8.98 5.21 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 1.30 0.00 0.00 89 Y 8.80 4.30 0.00 1.43 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 0.00 0.00 0.00 90 M 8.77 4.68 0.00 1.96 1.82 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.78 0.00 91 R 7.18 3.53 0.00 0.67 0.66 0.00 2.55 0.00 0.00 3.03 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.50 0.00 92 P 0.00 3.72 0.00 1.89 1.23 0.00 2.61 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.80 0.00 93 W 7.14 4.38 0.00 3.35 3.32 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 0.00 94 T 7.04 4.05 3.81 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 1.06 0.00 0.00 95 G 7.77 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 0.00 0.00 0.00 96 P 0.00 4.52 0.00 2.20 2.07 0.00 3.71 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 97 S 9.03 4.60 0.00 3.93 3.97 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 98 H 8.80 4.33 0.00 3.31 3.50 0.00 5.50 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 D 7.03 4.78 0.00 2.64 2.67 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 0.00 100 S 7.75 4.27 0.00 3.96 3.83 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.72 4.28 0.00 2.04 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 2.74 2.49 0.00 102 R 8.74 5.50 0.00 1.78 1.88 0.00 3.27 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.85 0.00 103 F 9.64 5.03 0.00 2.70 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 0.00 104 I 8.79 5.39 1.72 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.06 0.87 0.73 0.00 0.00 105 V 7.64 4.28 1.83 0.00 0.00 0.00 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 0.92 0.00 0.00 106 Y 9.07 4.90 0.00 2.93 2.89 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 0.00 107 L 9.14 4.89 0.00 1.51 1.58 0.73 0.65 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 0.00 108 K 9.59 4.71 0.00 1.82 1.83 0.00 1.56 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.39 7.81 109 A 9.01 5.85 1.37 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 0.00 110 N 8.39 4.57 0.00 2.69 2.65 0.00 0.00 7.16 7.56 0.00 0.00 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.