NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 K 4.2072 8.3149 121.7870 56.0608 33.3811 174.8877 5 K 4.3028 8.3354 125.1815 54.9600 33.5095 174.4845 6 H 5.0101 9.6192 119.0609 52.8122 33.2999 173.8037 7 G 3.9704 7.7466 111.6369 46.1844 0.0000 170.2703 8 L 5.3335 7.9648 121.1492 53.7792 45.4852 176.5705 9 S 4.9697 9.1944 118.5042 56.5702 66.6890 172.5204 10 I 5.1632 8.3321 120.3784 59.7963 41.1934 174.2763 11 G 4.2472 9.2153 114.3262 45.7095 0.0000 171.0091 12 I 5.0827 8.2548 119.6697 59.5271 39.9495 175.2699 13 N 4.9851 8.4617 123.6647 51.1491 42.3811 173.3126 14 R 4.8587 8.2688 120.4471 54.5300 32.9234 174.7441 15 I 4.5185 8.4330 126.6125 60.4302 41.2690 176.4326 16 E 3.5757 9.2057 122.8130 57.5532 30.0839 175.5047 17 S 4.4373 9.2138 106.7772 57.3034 64.3087 173.9368 18 V 4.2750 7.7176 122.1825 61.2364 32.6311 174.4525 19 F 5.1225 8.7625 126.5879 57.1646 39.9334 175.0561 20 F 5.2169 9.0086 117.4042 55.0455 41.7938 174.0725 21 V 4.4733 9.0480 120.8590 63.1340 33.0281 174.6623 22 T 5.4116 9.0419 121.1762 60.3481 70.9178 172.2794 23 L 5.3350 9.1384 129.4515 53.3151 45.9963 174.5876 24 K 5.1371 9.1452 126.7626 54.5089 35.1283 174.2725 25 A 5.3791 8.5847 128.7753 50.0935 21.3739 175.4249 26 I 4.4483 8.5299 115.2464 60.1837 41.3535 176.8494 27 G 3.7057 8.8669 111.6114 45.5979 0.0000 172.4682 28 T 4.8200 8.6315 119.0736 61.7190 70.8400 174.0179 29 L 4.6435 8.6312 128.0521 54.3409 43.2125 176.7680 30 T 5.0030 9.1675 113.7556 60.0915 71.8960 175.0500 31 H 4.1918 9.0246 120.3160 59.3496 29.9200 176.4378 32 E 3.9588 8.3577 120.6833 59.4687 29.4504 178.2931 33 D 4.4999 8.3125 118.8409 57.5861 40.9771 177.9573 34 Y 3.0302 8.2130 119.8961 60.7033 38.4157 178.4959 35 L 3.9290 7.6637 118.0529 57.5012 41.7009 179.2638 36 V 3.8112 7.4413 116.8753 65.3281 31.7362 177.5660 37 I 4.0734 7.9826 118.8392 63.7775 37.6047 177.9717 38 T 3.7205 7.4146 110.7002 63.8788 68.2439 175.4319 39 P 4.3577 0.0000 0.0000 62.7635 31.1499 177.9582 *41 L 4.2812 8.0938 120.0520 55.0131 43.6575 179.2739 42 E 4.0745 8.4157 118.4153 59.1793 29.0285 179.5618 43 G 3.6011 8.1075 104.9836 47.6514 0.0000 175.3208 44 A 4.1639 7.8988 122.6344 55.0745 18.5713 179.6334 45 L 4.0731 8.0166 117.7548 57.7866 41.4729 179.6322 46 S 4.3050 7.9842 112.8219 60.2930 63.0098 174.7919 47 Q 4.2837 7.6328 120.0937 55.5968 29.0783 175.6320 48 V 3.7902 7.5498 119.4921 62.5375 31.0741 174.9332 49 D 4.6198 8.3680 126.3459 53.9860 42.2532 175.8384 50 Q 3.9879 7.9964 119.8033 56.2254 29.2484 173.9725 51 P 4.2613 0.0000 0.0000 64.6793 31.5817 176.3913 52 K 4.5194 7.9138 119.6093 54.5167 33.1209 175.1371 53 V 4.7725 8.0811 124.9146 60.5633 35.0637 173.7370 54 S 5.4790 8.9636 117.4611 56.7521 67.4225 172.2067 55 L 5.0863 8.5193 122.3305 53.2954 44.9300 174.6026 56 F 5.2060 9.4938 128.9680 56.5776 41.5215 173.9000 57 L 4.7039 8.7042 128.8898 53.3078 44.4376 174.9797 58 D 4.5281 8.8990 128.6831 52.7391 41.8387 175.9075 59 A 4.7408 8.6603 130.0114 51.8760 19.5368 178.5918 60 T 3.9106 8.2698 112.3889 65.6855 68.9265 175.0264 61 E 4.4852 8.0444 119.2133 55.5785 29.9281 174.4486 62 L 4.3929 7.5229 122.0930 54.5221 42.2777 176.2627 63 D 4.4625 9.9166 126.2233 54.4660 42.1985 177.1889 64 G 2.0751 6.1342 104.9755 43.8719 0.0000 171.2384 65 W 5.3817 5.5350 116.3977 54.5578 31.3030 173.6782 66 D 4.6082 9.3023 119.7063 54.2966 40.7329 177.2452 67 L 4.5349 8.8626 126.9051 57.3372 41.8872 177.9440 68 R 4.3110 8.3844 115.3171 56.1491 30.8606 176.1519 69 A 4.3881 7.9827 122.0722 50.9939 20.0110 178.3028 70 A 3.8405 7.8842 120.1068 53.3040 18.1854 179.7485 71 W 3.9966 7.1954 117.5169 59.8432 28.8031 177.8050 72 D 4.9682 8.3863 117.1138 57.6699 40.4674 177.8904 73 D 4.6901 7.7330 115.5645 53.2695 41.7122 176.6964 74 L 3.7658 7.0395 122.9511 54.9827 42.4734 175.5659 75 K 4.8608 8.2483 124.0809 54.7002 34.8233 175.3083 76 L 4.7023 8.6598 125.8919 53.3359 43.8834 176.1647 77 G 4.2259 8.4043 108.0470 45.9443 0.0000 171.5471 78 L 4.7783 8.0792 119.0620 52.2913 44.0647 177.1920 79 K 3.8942 8.2945 120.7250 59.2469 32.2174 177.4818 *82 S 4.3272 7.8518 111.8373 57.6398 63.4670 172.5342 83 E 4.6934 7.7539 115.4496 53.9135 33.5912 175.0886 84 F 4.7054 8.1250 120.7941 58.0800 39.8112 176.4625 85 E 4.1231 9.5723 123.1530 59.2251 30.3626 177.1528 86 R 5.0371 8.1752 116.4376 54.4276 35.2379 174.4878 87 V 4.7368 9.1680 121.0484 61.1898 34.8446 173.8891 88 A 5.3670 9.1216 130.2757 50.5527 21.3305 175.0276 89 I 4.7502 9.0870 124.6335 59.8096 39.5859 174.5627 90 L 5.0874 8.7840 129.9851 53.4445 44.0061 175.4229 91 G 4.6060 8.8080 112.1400 46.1971 0.0000 173.0645 92 N 4.8128 8.9012 115.8422 53.3676 40.1552 176.0532 93 K 4.4339 7.9364 116.6210 54.8840 33.6814 176.1020 94 D 4.4925 8.6257 120.0808 54.6565 41.4391 178.4396 95 W 3.8840 8.8878 120.4626 59.2667 28.2722 178.0831 96 Q 3.2279 6.4780 115.4107 57.7835 28.2241 177.3130 97 E 3.4839 7.4592 118.4335 58.5140 29.6800 177.9967 98 W 4.8494 7.4372 113.6835 55.2393 32.5517 177.3207 99 A 3.8789 7.9752 120.4529 54.9659 17.6108 179.5065 100 A 3.9848 7.9735 118.8822 55.0983 18.3451 179.8716 101 K 4.0775 7.9320 115.7376 59.8288 32.6851 178.9852 102 I 3.0146 8.5024 119.3548 63.3250 37.8386 177.9602 103 G 3.8907 8.4338 107.4585 47.7994 0.0000 175.2868 104 S 4.5565 8.0625 114.1836 59.7270 63.3088 175.9480 105 W 4.7828 8.2814 124.4434 57.4306 28.6782 175.5064 106 F 5.3849 7.5646 116.5689 55.5567 41.1377 174.4142 107 I 4.7946 8.4216 122.9882 59.8171 39.3257 174.5871 108 A 5.3641 8.1110 126.6509 51.5056 21.7197 176.2756 109 G 3.9293 9.1153 107.1335 49.1082 0.0000 173.9667 110 E 5.0953 8.4041 120.0375 54.1939 34.1479 174.8175 111 I 5.2049 8.6150 123.2674 59.5772 40.3211 174.7096 112 K 4.3534 9.1282 127.9257 54.5206 35.7261 173.9189 113 Y 5.3302 8.0723 126.7349 56.1440 40.4744 174.5743 114 F 4.7832 9.1695 124.2364 55.7369 43.2444 175.2541 115 E 4.5126 8.8311 116.7354 55.4022 31.2218 175.7335 116 D 4.9000 7.7615 119.6957 52.1941 43.8485 175.8096 117 E 3.9652 8.6817 127.3424 59.3900 29.8781 178.1852 118 D 4.2091 7.9752 117.5810 57.5219 41.3560 177.8368 119 D 4.2892 8.3804 119.0921 57.1427 40.7806 178.5905 120 A 2.5800 7.3285 120.8236 54.5955 18.1886 179.7773 121 L 3.5590 7.6595 117.4218 57.5753 41.3967 179.8029 122 K 3.8673 7.7479 117.5876 59.2232 31.9547 178.8563 123 W 4.2874 8.1935 128.5745 60.4457 30.3963 178.0558 124 L 3.8439 7.8844 118.4897 56.8680 41.0875 178.6063 125 R 4.3610 7.4020 115.6643 56.8794 29.9287 176.6577 *126 Y 4.1136 7.1461 122.4104 57.1431 36.9978 180.1037 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 4 K 8.31 4.21 0.00 1.72 1.78 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.05 1.38 7.81 5 K 8.34 4.30 0.00 1.82 1.69 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.50 7.81 6 H 9.62 5.01 0.00 3.10 3.16 0.00 5.87 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 7 G 7.75 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 0.00 0.00 0.00 8 L 7.96 5.33 0.00 1.69 1.60 1.22 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 9 S 9.19 4.97 0.00 3.93 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 10 I 8.33 5.16 1.97 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 1.37 1.22 0.97 0.00 0.00 11 G 9.22 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 0.00 0.00 0.00 0.00 12 I 8.25 5.08 1.86 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.73 1.00 0.00 0.00 13 N 8.46 4.99 0.00 1.60 2.29 0.00 0.00 5.98 7.25 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 14 R 8.27 4.86 0.00 1.07 1.50 0.00 2.92 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.08 0.00 15 I 8.43 4.52 1.96 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 1.39 0.79 0.88 0.00 0.00 16 E 9.21 3.58 0.00 2.11 1.52 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 2.16 2.23 0.00 17 S 9.21 4.44 0.00 3.92 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 18 V 7.72 4.28 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 1.07 0.00 0.00 0.92 0.00 0.00 19 F 8.76 5.12 0.00 3.21 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 20 F 9.01 5.22 0.00 3.19 3.10 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 0.00 0.00 0.00 0.00 21 V 9.05 4.47 2.27 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 1.16 0.00 0.00 1.21 0.00 0.00 22 T 9.04 5.41 4.38 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 1.24 0.00 0.00 23 L 9.14 5.34 0.00 1.81 1.50 1.31 0.78 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 24 K 9.15 5.14 0.00 1.90 1.64 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.50 7.81 25 A 8.58 5.38 1.22 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 0.00 0.00 0.00 26 I 8.53 4.45 1.84 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 1.32 1.32 0.98 0.00 0.00 27 G 8.87 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 0.00 0.00 0.00 28 T 8.63 4.82 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 1.16 0.00 0.00 29 L 8.63 4.64 0.00 0.91 0.91 -0.11 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 30 T 9.17 5.00 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 1.26 0.00 0.00 31 H 9.02 4.19 0.00 3.32 3.41 0.00 5.88 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.36 3.96 0.00 2.22 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 2.38 1.98 0.00 33 D 8.31 4.50 0.00 3.37 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 34 Y 8.21 3.03 0.00 2.08 2.68 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 0.00 0.00 0.00 35 L 7.66 3.93 0.00 1.78 1.68 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 36 V 7.44 3.81 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 0.84 0.00 0.00 0.97 0.00 0.00 37 I 7.98 4.07 2.07 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 1.65 0.89 1.02 0.00 0.00 38 T 7.41 3.72 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 -0.34 0.00 0.00 39 P 0.00 4.36 0.00 2.11 2.01 0.00 3.57 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.97 0.00 *41 L 8.09 4.28 0.00 1.79 1.76 1.01 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.42 4.07 0.00 1.96 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 0.00 2.23 2.31 0.00 43 G 8.11 3.60 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 0.00 0.00 0.00 44 A 7.90 4.16 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 45 L 8.02 4.07 0.00 1.76 1.95 1.10 1.20 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 46 S 7.98 4.31 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 47 Q 7.63 4.28 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.99 0.00 0.00 0.00 0.00 0.00 2.47 2.40 0.00 48 V 7.55 3.79 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 0.75 0.00 0.00 1.03 0.00 0.00 49 D 8.37 4.62 0.00 2.60 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 50 Q 8.00 3.99 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.82 0.00 0.00 0.00 0.00 0.00 2.60 2.43 0.00 51 P 0.00 4.26 0.00 2.09 2.10 0.00 3.71 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 52 K 7.91 4.52 0.00 1.97 1.74 0.00 1.88 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.32 0.96 7.81 53 V 8.08 4.77 2.30 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 0.78 0.00 0.00 1.15 0.00 0.00 54 S 8.96 5.48 0.00 3.80 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 55 L 8.52 5.09 0.00 0.27 0.54 0.83 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 56 F 9.49 5.21 0.00 2.95 3.11 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 57 L 8.70 4.70 0.00 1.46 1.36 1.00 0.98 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 58 D 8.90 4.53 0.00 2.39 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.66 4.74 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 60 T 8.27 3.91 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 1.30 0.00 0.00 61 E 8.04 4.49 0.00 2.02 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 2.30 2.26 0.00 62 L 7.52 4.39 0.00 1.73 1.65 0.85 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 63 D 9.92 4.46 0.00 2.64 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 64 G 6.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 W 5.54 5.38 0.00 3.22 2.72 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 0.00 0.00 0.00 66 D 9.30 4.61 0.00 2.93 2.85 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 67 L 8.86 4.53 0.00 1.81 1.87 0.91 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 68 R 8.38 4.31 0.00 1.97 1.98 0.00 3.40 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 69 A 7.98 4.39 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 0.00 0.00 0.00 0.00 0.00 0.00 70 A 7.88 3.84 -0.14 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 71 W 7.20 4.00 0.00 2.88 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 0.00 0.00 0.00 0.00 72 D 8.39 4.97 0.00 2.86 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 73 D 7.73 4.69 0.00 2.68 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 74 L 7.04 3.77 0.00 1.22 0.36 0.54 -0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 75 K 8.25 4.86 0.00 1.57 1.66 0.00 1.83 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.38 7.81 76 L 8.66 4.70 0.00 1.39 1.73 1.06 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 77 G 8.40 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 0.00 0.00 0.00 0.00 78 L 8.08 4.78 0.00 1.49 1.43 0.34 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 79 K 8.29 3.89 0.00 1.94 1.80 0.00 1.92 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.42 1.00 7.81 *82 S 7.85 4.33 0.00 3.86 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 83 E 7.75 4.69 0.00 1.96 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 2.25 2.34 0.00 84 F 8.12 4.71 0.00 2.93 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 85 E 9.57 4.12 0.00 1.91 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 2.38 2.45 0.00 86 R 8.18 5.04 0.00 1.47 1.42 0.00 2.21 0.00 0.00 2.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.24 0.00 87 V 9.17 4.74 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 0.71 0.00 0.00 0.64 0.00 0.00 88 A 9.12 5.37 1.52 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 89 I 9.09 4.75 2.13 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 1.14 0.69 1.07 0.00 0.00 90 L 8.78 5.09 0.00 1.70 1.32 1.00 0.91 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 91 G 8.81 4.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.90 4.81 0.00 2.74 2.89 0.00 0.00 6.91 7.61 0.00 0.00 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 K 7.94 4.43 0.00 1.85 1.89 0.00 1.92 0.00 0.00 2.09 0.00 0.00 3.10 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.53 7.81 94 D 8.63 4.49 0.00 2.55 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 95 W 8.89 3.88 0.00 3.18 3.26 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 96 Q 6.48 3.23 0.00 1.38 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 7.10 0.00 0.00 0.00 0.00 0.00 1.79 1.81 0.00 97 E 7.46 3.48 0.00 1.86 1.66 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 2.06 2.17 0.00 98 W 7.44 4.85 0.00 3.14 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 99 A 7.98 3.88 0.60 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 0.00 0.00 100 A 7.97 3.98 1.58 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 0.00 0.00 101 K 7.93 4.08 0.00 2.01 2.35 0.00 1.36 0.00 0.00 1.18 0.00 0.00 2.68 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.52 1.42 7.81 102 I 8.50 3.01 1.88 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 -0.36 0.95 0.00 0.00 103 G 8.43 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 0.00 104 S 8.06 4.56 0.00 4.21 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 0.00 105 W 8.28 4.78 0.00 2.63 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 0.00 106 F 7.56 5.38 0.00 3.35 3.19 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 0.00 107 I 8.42 4.79 2.00 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 1.39 1.08 1.12 0.00 0.00 108 A 8.11 5.36 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 0.00 0.00 0.00 0.00 0.00 109 G 9.12 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 0.00 110 E 8.40 5.10 0.00 2.07 2.26 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 2.39 2.38 0.00 111 I 8.62 5.20 1.95 0.00 0.00 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 1.39 0.75 1.00 0.00 0.00 112 K 9.13 4.35 0.00 0.98 0.74 0.00 0.87 0.00 0.00 0.61 0.00 0.00 2.29 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.64 7.81 113 Y 8.07 5.33 0.00 2.72 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 F 9.17 4.78 0.00 2.81 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 0.00 115 E 8.83 4.51 0.00 2.24 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 0.00 2.18 1.79 0.00 116 D 7.76 4.90 0.00 2.79 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.68 3.97 0.00 2.13 1.92 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 2.25 2.43 0.00 118 D 7.98 4.21 0.00 2.78 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 0.00 119 D 8.38 4.29 0.00 2.92 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 0.00 120 A 7.33 2.58 1.05 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 0.00 121 L 7.66 3.56 0.00 1.42 1.35 0.50 -0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 122 K 7.75 3.87 0.00 1.70 1.86 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.53 7.81 123 W 8.19 4.29 0.00 3.52 3.31 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 0.00 124 L 7.88 3.84 0.00 1.62 1.47 0.76 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 125 R 7.40 4.36 0.00 1.82 1.89 0.00 3.05 0.00 0.00 3.26 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.53 0.00 *126 Y 7.15 4.11 0.00 2.40 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.