NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 V 3.9835 8.0549 120.3912 63.0824 31.5700 174.1758 4 Q 4.4395 8.7709 126.4737 54.5116 31.9212 170.2683 5 V 4.7946 8.0567 119.7348 60.8818 35.0402 174.0473 6 G 4.4335 9.1048 115.9486 44.4146 0.0000 172.4671 7 V 5.0170 9.1874 127.7983 61.4367 33.4283 174.6530 8 I 5.5731 8.2849 121.7200 58.2351 40.8950 175.7749 *10 G 4.1065 8.7225 107.5358 46.7445 0.0000 173.1896 11 S 4.7812 8.0725 112.8857 55.5650 66.3631 175.3267 12 K 4.0559 8.6684 120.5176 59.4669 31.4549 179.5844 13 S 4.2774 7.4610 114.0604 60.9748 62.9858 175.4797 14 D 4.6167 8.1439 121.5739 55.0742 40.4602 177.9691 15 W 4.5300 8.1798 130.1115 60.5545 30.8607 177.3423 16 S 4.0912 8.2312 112.6593 61.7128 62.1296 175.1202 17 T 4.0836 7.3877 117.2989 63.8346 68.1525 176.0201 *19 K 2.9325 7.9908 125.1468 55.9294 33.8070 177.7409 20 E 3.8215 7.4767 118.4407 58.8962 29.2487 178.8027 21 C 3.9932 7.7293 118.4860 62.7630 31.6881 175.1905 22 C 3.4510 7.7728 117.6907 62.6226 27.6660 175.7003 23 D 4.3182 8.1075 120.5428 57.3917 40.3432 178.9144 24 I 3.6268 7.3762 119.6773 64.3378 37.0254 178.2832 25 L 3.8635 7.4864 119.5331 57.9364 41.4251 179.1329 26 D 4.5405 8.2213 118.8337 57.8150 40.6361 178.8169 27 N 4.3854 8.0166 115.0699 56.2867 38.6907 176.6736 28 L 4.3929 8.0088 117.1259 54.0310 42.0299 176.8584 29 G 3.8781 7.9121 106.9336 46.8458 0.0000 173.7257 30 I 4.4431 7.9933 120.7995 58.7390 39.1306 176.6226 31 G 3.9128 8.7436 115.2089 46.6515 0.0000 171.8129 32 Y 5.6236 8.0383 121.6259 55.6176 41.6092 173.6216 33 E 4.9177 9.1831 117.5780 54.5706 33.0257 174.4770 34 C 6.0382 8.4635 115.2375 56.1096 32.8477 172.7111 35 E 4.5929 8.2852 119.0954 55.2319 32.8922 174.0786 36 V 3.9781 8.3492 126.9848 62.4007 31.8753 175.2403 37 V 4.2817 8.2193 128.0818 61.1417 34.5239 173.9729 38 S 4.8578 8.8048 123.2231 56.2783 63.4185 174.6042 39 A 4.0093 8.6665 131.1968 55.2227 18.4306 177.7528 40 H 4.7021 7.9843 111.1187 57.1816 29.6615 176.3632 41 R 4.3930 8.1950 117.3377 56.9236 31.4168 176.5818 42 T 4.7343 7.8254 107.5395 59.6145 68.4991 173.1813 43 P 4.2985 0.0000 0.0000 66.6503 32.3982 178.3236 44 D 4.3577 8.1700 118.5140 57.2497 41.0792 179.1587 45 K 4.0827 7.4687 118.2503 57.2690 32.3153 178.2186 *47 F 4.7386 8.2401 117.0492 57.3255 41.0390 177.1275 48 D 4.4096 8.5529 120.3250 57.5285 40.4020 178.1855 49 Y 3.9356 8.6624 120.0287 60.6499 38.6251 178.0210 50 A 4.0990 8.1824 121.0222 55.2687 18.3727 179.0325 51 E 3.9204 8.0819 116.0226 59.7311 29.9858 179.2243 52 T 4.4671 8.1505 108.4606 61.4355 69.2918 176.3759 53 A 3.7310 7.4340 124.9500 55.2272 18.3197 179.4868 54 K 3.8224 7.9065 117.6374 59.6967 32.0965 178.7643 55 E 3.9172 8.0938 116.4538 59.0148 29.7171 178.1878 56 R 4.1281 7.7839 116.7943 56.7031 30.1989 177.2195 57 G 3.9976 8.1816 107.2520 44.6442 0.0000 174.0609 58 L 4.3711 7.5315 119.6032 54.8529 41.7555 177.1022 59 K 4.5604 9.3917 121.2793 56.8419 34.4885 176.6756 60 V 4.7569 7.6354 118.3046 61.3869 35.4935 173.2260 61 I 5.0485 8.5808 126.3540 59.6093 40.5368 174.3635 62 I 4.9798 9.1026 127.8123 59.5076 39.5965 174.4727 63 A 5.1721 9.3264 129.1965 50.0257 21.8973 174.7661 64 G 4.8556 8.6228 109.6761 44.0975 0.0000 172.4080 65 A 4.6981 8.1958 122.3793 50.9301 22.6430 175.1129 66 G 4.3020 8.3903 105.7037 44.5146 0.0000 175.2380 67 G 3.9976 8.7226 107.6357 45.4781 0.0000 177.0037 68 A 4.2909 8.4506 121.1362 51.9220 15.7702 175.1156 69 A 4.3990 8.0140 121.8834 51.3918 18.2241 176.9937 70 H 4.8926 8.3939 118.6628 56.9107 30.9653 177.2077 71 L 3.8614 8.1914 120.7948 57.7305 42.2490 176.2777 72 P 4.3956 0.0000 0.0000 65.6704 31.5680 179.2330 73 G 3.7393 7.6617 102.7989 46.7378 0.0000 175.0288 *75 V 3.9306 7.9126 121.0317 62.5253 33.4884 177.4301 76 A 3.9864 8.1655 122.2640 55.1172 18.3142 179.4023 77 A 4.0943 8.0841 117.7346 54.2804 18.4688 178.2219 78 K 4.3867 7.7825 112.6939 56.1612 33.1386 175.7272 79 T 4.6682 7.3565 112.0037 60.5300 70.3832 173.7209 80 T 4.2562 8.3421 114.8863 62.3379 69.6623 175.2429 81 L 4.2219 7.5176 123.0346 53.6275 42.5724 174.9442 82 P 4.4314 0.0000 0.0000 63.2627 32.6481 174.9500 83 V 4.9281 8.5335 122.9722 61.0856 34.3926 173.7129 84 L 5.2472 9.1735 128.1997 53.1209 44.3561 175.4223 85 G 4.3512 9.4939 111.5123 44.4980 0.0000 172.3343 86 V 4.6039 8.5788 125.9701 60.4866 33.6540 172.9973 87 P 4.8412 0.0000 0.0000 62.4591 32.2584 175.9135 88 V 4.2401 8.4100 125.6471 61.5517 32.7243 175.6660 89 K 4.0702 8.5864 128.7973 56.2449 32.4296 176.6165 90 S 4.5649 8.5305 121.5226 57.4524 64.3339 175.4120 91 S 4.2581 8.5712 117.1785 61.4749 63.3711 175.8011 92 T 4.0988 8.0064 110.1132 63.7906 69.1698 175.5320 93 L 4.5830 7.7508 120.0023 53.4042 42.1714 176.2905 94 N 4.3115 8.8611 112.4649 54.2797 36.6574 175.5323 95 G 3.9840 8.2486 105.2737 46.0149 0.0000 176.2292 96 Q 3.9930 8.3779 120.4882 58.8024 28.3300 178.3931 97 D 4.3247 8.0324 119.5649 56.6670 39.2538 178.4999 98 S 4.3441 8.0075 117.8496 60.3450 62.8094 176.3025 99 L 3.9768 8.2267 123.1136 58.3627 41.7733 179.1169 100 L 3.9877 7.8781 118.8022 57.8612 41.3126 179.6880 101 S 4.1980 8.1560 114.1554 60.6772 62.7242 176.0448 102 I 4.1736 7.0624 121.7484 63.5063 37.7669 178.1624 103 V 3.8396 7.6599 119.8498 62.7073 31.6796 176.6285 104 Q 4.0395 7.2072 118.9800 54.6276 28.8407 173.6618 *106 P 4.1253 0.0000 0.0000 61.5343 32.6794 175.6068 107 A 4.1065 8.4720 122.3125 52.7905 18.6580 176.0209 108 G 3.5174 8.2767 115.6789 45.2702 0.0000 173.9381 109 I 4.3998 6.9958 123.5073 58.3928 39.0075 173.2942 110 P 4.6153 0.0000 0.0000 61.7822 32.5637 175.6560 111 V 4.4091 7.9624 118.8781 60.9686 34.3175 174.6033 112 A 4.0420 8.6538 130.1260 52.0518 18.9601 176.0225 113 T 4.8507 8.0224 118.9823 62.2996 71.4431 174.0466 114 F 4.7071 8.2854 122.6406 54.7402 42.6685 174.8899 115 A 4.0967 8.7636 121.6748 52.5412 18.5588 177.2117 116 I 4.0599 8.0867 121.3249 62.6786 37.5793 174.8781 117 G 3.7017 8.7032 119.1428 45.8064 0.0000 175.0795 *119 A 4.2521 7.9814 119.3137 51.3640 21.4002 179.6024 120 G 4.1934 8.2950 103.1403 47.2397 0.0000 175.5610 121 A 3.8860 7.8324 122.6951 54.9140 18.5453 179.8481 122 K 3.7929 7.8597 116.3009 59.8383 32.1857 179.3033 123 N 4.2540 8.2981 116.4743 55.8733 38.3439 177.2763 124 A 2.7780 8.0314 122.4352 54.8289 18.3933 179.5387 125 A 3.8031 7.4515 119.1924 55.2442 18.3670 179.9183 126 L 3.7608 7.5195 117.2787 57.6138 41.5691 179.4926 127 F 4.1070 8.5371 122.0025 60.5390 39.3001 176.9500 128 A 3.9610 8.2308 120.3324 55.1759 18.1421 179.3643 129 A 3.8824 7.8781 119.3798 55.4113 18.4847 180.0781 130 S 3.9936 8.0008 112.6488 61.3984 62.6753 176.8811 131 I 3.6428 7.5837 123.6455 64.1745 36.7817 178.1110 132 L 4.1170 7.9967 119.2191 56.6339 41.6040 179.1518 133 Q 3.9928 8.1587 118.1814 59.3486 28.1576 178.0065 134 H 4.2782 7.6745 119.6498 58.2038 29.8938 175.4999 135 T 4.4387 7.4468 107.8481 60.9048 69.8364 173.9604 136 D 4.5478 7.9290 122.0916 52.2508 44.4540 175.5911 137 I 3.7907 8.4598 128.4567 64.3857 37.1745 178.0921 138 N 4.4255 8.2317 117.5455 56.0885 38.2955 177.6109 139 I 3.7057 7.6922 120.6986 64.1227 37.2676 177.8110 140 A 3.9700 7.8523 121.6105 55.2353 18.1101 179.5867 141 K 3.8408 8.1556 117.5969 59.5740 32.2894 178.7838 142 A 4.0117 8.1398 121.0663 55.1425 18.3408 179.4270 143 L 3.8917 8.3969 119.0396 58.2226 42.1345 178.9752 144 A 4.0487 8.2885 121.0233 55.1542 18.2305 179.2512 145 E 3.8823 8.6693 118.2980 59.2439 29.7278 178.7489 146 F 3.9910 8.4257 120.7504 61.3013 39.4457 177.2833 147 R 3.9959 8.3352 117.3419 59.4102 29.8965 178.7379 148 A 4.0161 8.1965 120.5495 55.3575 18.1945 179.6241 149 E 3.8559 8.2730 117.2602 59.5770 29.0547 179.5986 150 Q 3.8903 7.9420 117.6804 59.3603 28.4811 178.8183 151 T 3.8816 8.0826 117.7002 66.4620 68.4934 176.4757 152 R 3.8656 8.1274 120.7550 59.6299 29.8375 177.9656 153 F 4.1749 8.2442 119.2096 61.5007 39.3428 176.9061 154 V 3.7005 7.6010 116.3908 65.5365 31.2621 178.0994 155 L 3.9775 7.9628 117.8806 57.6570 41.5700 178.1006 156 E 4.1743 8.3465 116.5551 57.6375 30.2709 176.3450 157 N 5.0033 7.3385 115.4358 51.3138 38.6905 172.8820 158 P 4.2314 0.0000 0.0000 64.4649 32.5799 176.5055 159 D 4.6638 7.7694 118.9070 51.8547 41.3377 174.2156 160 P 4.3627 0.0000 0.0000 64.9380 31.9293 176.5686 161 R 4.0655 7.6414 121.5968 56.5374 29.8472 176.1959 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 V 8.05 3.98 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 1.00 0.00 0.00 0.88 0.00 0.00 4 Q 8.77 4.44 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.60 0.00 0.00 0.00 0.00 0.00 2.28 2.39 0.00 5 V 8.06 4.79 2.20 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 1.09 0.00 0.00 0.97 0.00 0.00 6 G 9.10 4.43 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 0.00 7 V 9.19 5.02 2.33 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 1.14 0.00 0.00 0.95 0.00 0.00 8 I 8.28 5.57 1.61 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.31 0.38 0.00 0.00 *10 G 8.72 4.11 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 0.00 11 S 8.07 4.78 0.00 3.92 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 12 K 8.67 4.06 0.00 1.83 1.92 0.00 1.64 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.47 7.81 13 S 7.46 4.28 0.00 4.24 4.03 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 14 D 8.14 4.62 0.00 2.96 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 15 W 8.18 4.53 0.00 3.36 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 16 S 8.23 4.09 0.00 4.00 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 17 T 7.39 4.08 4.36 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 1.17 0.00 0.00 *19 K 7.99 2.93 0.00 0.79 1.07 0.00 1.38 0.00 0.00 1.56 0.00 0.00 3.03 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.03 0.95 7.81 20 E 7.48 3.82 0.00 1.91 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 0.00 2.13 2.34 0.00 21 C 7.73 3.99 0.00 2.95 2.78 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 22 C 7.77 3.45 0.00 3.07 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 23 D 8.11 4.32 0.00 2.75 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 24 I 7.38 3.63 1.84 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.69 0.56 0.00 0.00 25 L 7.49 3.86 0.00 1.38 1.65 0.69 0.97 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 26 D 8.22 4.54 0.00 2.93 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 27 N 8.02 4.39 0.00 2.93 2.98 0.00 0.00 7.17 7.47 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 28 L 8.01 4.39 0.00 1.56 1.66 0.68 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 29 G 7.91 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.99 4.44 2.01 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.84 0.96 0.00 0.00 31 G 8.74 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 32 Y 8.04 5.62 0.00 3.13 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 33 E 9.18 4.92 0.00 2.10 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 0.00 2.28 2.39 0.00 34 C 8.46 6.04 0.00 3.09 3.21 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 35 E 8.29 4.59 0.00 2.04 1.68 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 0.00 2.16 2.24 0.00 36 V 8.35 3.98 2.02 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 0.77 0.00 0.00 0.86 0.00 0.00 37 V 8.22 4.28 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 0.86 0.00 0.00 0.57 0.00 0.00 38 S 8.80 4.86 0.00 4.00 3.77 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 39 A 8.67 4.01 1.20 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 40 H 7.98 4.70 0.00 3.16 3.34 0.00 5.71 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 R 8.20 4.39 0.00 1.78 1.97 0.00 3.11 0.00 0.00 3.28 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 42 T 7.83 4.73 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 43 P 0.00 4.30 0.00 2.04 2.31 0.00 3.83 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.95 0.00 44 D 8.17 4.36 0.00 2.71 2.75 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 45 K 7.47 4.08 0.00 1.73 1.96 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.52 1.50 7.81 *47 F 8.24 4.74 0.00 3.20 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.55 4.41 0.00 2.98 2.78 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 49 Y 8.66 3.94 0.00 3.09 2.98 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 0.00 0.00 0.00 50 A 8.18 4.10 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 51 E 8.08 3.92 0.00 2.20 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 0.00 2.33 2.28 0.00 52 T 8.15 4.47 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 1.22 0.00 0.00 53 A 7.43 3.73 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 54 K 7.91 3.82 0.00 1.81 1.79 0.00 1.72 0.00 0.00 1.86 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.48 7.81 55 E 8.09 3.92 0.00 2.16 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 0.00 2.54 2.30 0.00 56 R 7.78 4.13 0.00 1.86 1.94 0.00 3.02 0.00 0.00 3.14 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 57 G 8.18 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 58 L 7.53 4.37 0.00 1.55 1.63 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 59 K 9.39 4.56 0.00 1.58 1.84 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.50 7.81 60 V 7.64 4.76 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 1.19 0.00 0.00 0.97 0.00 0.00 61 I 8.58 5.05 1.96 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 1.38 0.74 1.04 0.00 0.00 62 I 9.10 4.98 1.88 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.66 0.88 0.00 0.00 63 A 9.33 5.17 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 64 G 8.62 4.86 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 0.00 0.00 0.00 65 A 8.20 4.70 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 66 G 8.39 4.30 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 0.00 67 G 8.72 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 68 A 8.45 4.29 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 69 A 8.01 4.40 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 70 H 8.39 4.89 0.00 3.16 3.32 0.00 5.66 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 71 L 8.19 3.86 0.00 1.56 1.70 0.97 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 72 P 0.00 4.40 0.00 2.24 2.11 0.00 3.68 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 2.13 2.26 0.00 73 G 7.66 3.74 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 0.00 0.00 0.00 *75 V 7.91 3.93 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 1.06 0.00 0.00 1.00 0.00 0.00 76 A 8.17 3.99 1.41 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 0.00 0.00 77 A 8.08 4.09 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 78 K 7.78 4.39 0.00 1.63 1.54 0.00 1.30 0.00 0.00 0.70 0.00 0.00 2.53 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.78 0.21 7.81 79 T 7.36 4.67 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 1.32 0.00 0.00 80 T 8.34 4.26 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 81 L 7.52 4.22 0.00 1.72 1.67 0.95 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 82 P 0.00 4.43 0.00 2.22 2.28 0.00 3.79 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.02 0.00 83 V 8.53 4.93 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 1.11 0.00 0.00 1.04 0.00 0.00 84 L 9.17 5.25 0.00 1.68 1.79 1.05 0.83 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 85 G 9.49 4.35 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 0.00 86 V 8.58 4.60 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 0.99 0.00 0.00 0.98 0.00 0.00 87 P 0.00 4.84 0.00 2.12 1.93 0.00 3.92 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.08 0.00 88 V 8.41 4.24 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 0.75 0.00 0.00 1.02 0.00 0.00 89 K 8.59 4.07 0.00 1.75 1.72 0.00 1.82 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.58 7.81 90 S 8.53 4.56 0.00 4.04 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 91 S 8.57 4.26 0.00 4.00 4.04 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 92 T 8.01 4.10 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 93 L 7.75 4.58 0.00 1.70 1.66 0.97 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 94 N 8.86 4.31 0.00 2.90 2.88 0.00 0.00 6.98 7.53 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 95 G 8.25 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 96 Q 8.38 3.99 0.00 2.24 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 97 D 8.03 4.32 0.00 2.87 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 98 S 8.01 4.34 0.00 4.00 4.12 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 99 L 8.23 3.98 0.00 1.77 1.88 0.89 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 100 L 7.88 3.99 0.00 1.76 1.70 0.92 1.01 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 0.00 101 S 8.16 4.20 0.00 4.09 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 I 7.06 4.17 1.87 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 1.60 0.61 0.91 0.00 0.00 103 V 7.66 3.84 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 0.94 0.00 0.00 0.85 0.00 0.00 104 Q 7.21 4.04 0.00 2.16 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.55 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 *106 P 0.00 4.13 0.00 2.19 2.01 0.00 3.60 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 107 A 8.47 4.11 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 0.00 108 G 8.28 3.52 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 0.00 0.00 0.00 109 I 7.00 4.40 1.86 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 1.35 0.97 0.94 0.00 0.00 110 P 0.00 4.62 0.00 2.17 2.03 0.00 3.71 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 111 V 7.96 4.41 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 0.82 0.00 0.00 0.95 0.00 0.00 112 A 8.65 4.04 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 0.00 113 T 8.02 4.85 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 1.21 0.00 0.00 114 F 8.29 4.71 0.00 2.93 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 0.00 115 A 8.76 4.10 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 0.00 116 I 8.09 4.06 1.88 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 1.35 0.58 0.95 0.00 0.00 117 G 8.70 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 *119 A 7.98 4.25 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 0.00 120 G 8.30 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 A 7.83 3.89 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 0.00 122 K 7.86 3.79 0.00 1.91 1.83 0.00 1.66 0.00 0.00 1.83 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.47 7.81 123 N 8.30 4.25 0.00 2.83 2.83 0.00 0.00 6.96 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 0.00 124 A 8.03 2.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 A 7.45 3.80 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 L 7.52 3.76 0.00 1.77 1.59 0.90 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 127 F 8.54 4.11 0.00 3.04 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 0.00 128 A 8.23 3.96 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 0.00 129 A 7.88 3.88 1.29 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 0.00 0.00 0.00 130 S 8.00 3.99 0.00 3.89 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 0.00 131 I 7.58 3.64 1.96 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.51 0.88 0.00 0.00 132 L 8.00 4.12 0.00 1.66 1.69 0.92 0.61 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 0.00 133 Q 8.16 3.99 0.00 2.26 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.79 0.00 0.00 0.00 0.00 0.00 2.51 2.36 0.00 134 H 7.67 4.28 0.00 3.08 3.36 0.00 5.71 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 0.00 135 T 7.45 4.44 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 1.21 0.00 0.00 136 D 7.93 4.55 0.00 2.74 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 0.00 137 I 8.46 3.79 1.86 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 1.63 1.03 0.91 0.00 0.00 138 N 8.23 4.43 0.00 2.69 2.86 0.00 0.00 6.91 8.58 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 0.00 139 I 7.69 3.71 1.99 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 1.57 0.73 0.88 0.00 0.00 140 A 7.85 3.97 1.32 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 0.00 0.00 141 K 8.16 3.84 0.00 2.03 1.95 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.47 7.81 142 A 8.14 4.01 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 0.00 143 L 8.40 3.89 0.00 1.69 1.88 0.84 0.88 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 0.00 144 A 8.29 4.05 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 0.00 145 E 8.67 3.88 0.00 2.20 2.18 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 2.33 2.52 0.00 146 F 8.43 3.99 0.00 3.23 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 R 8.34 4.00 0.00 2.24 2.02 0.00 3.25 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.81 0.00 148 A 8.20 4.02 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 0.00 149 E 8.27 3.86 0.00 1.94 1.79 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 2.26 2.50 0.00 150 Q 7.94 3.89 0.00 2.19 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.82 0.00 0.00 0.00 0.00 0.00 2.45 2.41 0.00 151 T 8.08 3.88 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 1.23 0.00 0.00 152 R 8.13 3.87 0.00 2.02 2.14 0.00 3.13 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.67 0.00 153 F 8.24 4.17 0.00 3.03 3.25 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 0.00 154 V 7.60 3.70 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 0.96 0.00 0.00 0.98 0.00 0.00 155 L 7.96 3.98 0.00 1.66 1.70 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 156 E 8.35 4.17 0.00 2.01 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 2.32 2.34 0.00 157 N 7.34 5.00 0.00 2.43 2.48 0.00 0.00 6.99 7.88 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 0.00 158 P 0.00 4.23 0.00 2.14 2.14 0.00 3.69 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.91 0.00 159 D 7.77 4.66 0.00 2.62 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 P 0.00 4.36 0.00 2.20 2.14 0.00 3.80 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 161 R 7.64 4.07 0.00 2.26 1.88 0.00 3.23 0.00 0.00 3.41 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 * Residues marked with a * may have inaccurate shift predictions.