NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 N 4.7014 8.4201 119.2042 53.5245 41.7787 176.0225 0 A 4.0737 8.1188 127.2730 51.6320 17.6129 177.8152 2 K 4.0935 9.0469 116.6168 57.5196 32.0090 173.1299 3 K 4.0457 8.3291 129.3861 57.7157 32.8851 176.8307 4 G 3.8659 8.8893 107.3097 44.4621 0.0000 172.7814 5 T 4.4332 8.1730 106.3569 61.0053 70.0115 174.5068 6 V 3.9921 7.5749 122.4302 61.9516 30.1717 174.5809 7 L 4.3099 8.0397 125.9018 55.7901 42.7903 177.9289 8 N 4.4710 7.9472 117.7190 53.3401 40.5145 175.6686 9 S 4.1655 8.6117 122.7157 61.5943 63.3710 176.6102 10 E 3.9667 8.2074 121.7382 59.0785 29.3003 179.0970 11 I 3.7071 8.1259 119.8382 64.5155 37.2103 178.5860 12 S 4.2566 8.0687 115.9444 61.6224 62.4229 176.7991 13 S 4.0418 7.7766 114.5327 61.6148 62.5042 176.3813 14 V 3.7777 7.8817 115.0835 64.3916 31.3342 178.5949 15 I 3.7295 8.0003 120.0146 64.3848 36.7514 178.4520 16 S 4.2797 7.9189 113.4418 60.5740 63.0118 175.8012 17 R 4.2318 7.5997 120.2764 56.1126 30.5990 176.7621 18 L 4.2088 7.2844 119.6109 54.6408 42.3341 176.5408 19 G 4.1434 9.5230 111.5453 43.0817 0.0000 171.9308 20 H 4.3280 8.5644 118.8649 58.0156 29.8626 175.4310 21 T 3.4935 8.7325 115.9817 61.6314 68.9034 171.9877 22 D 4.6698 7.8717 122.8293 54.8124 42.1761 175.4671 23 T 5.1326 8.4113 110.6892 59.9138 72.6531 172.4335 24 L 5.1453 8.7430 124.0648 53.4765 45.7373 174.9726 25 V 4.8375 8.7322 126.0799 61.2280 34.0514 174.2685 26 V 5.0209 8.6931 127.6926 61.3257 33.7233 174.1160 27 C 5.6781 9.1835 122.2380 56.4046 33.6654 172.8897 28 D 5.1958 9.2892 119.7827 51.9852 40.9441 177.3444 29 A 4.0235 9.0991 121.6884 54.3184 18.2778 178.5790 30 G 3.9783 7.9923 102.7801 44.9201 0.0000 173.4952 31 L 4.1762 7.5753 123.0727 53.8082 42.6564 174.8928 32 P 4.4729 0.0000 0.0000 62.5432 32.1676 175.5963 33 I 4.4430 7.9875 120.9505 58.7942 39.0630 174.0623 34 P 4.4490 0.0000 0.0000 62.3938 31.7563 177.0142 35 N 4.6394 8.5824 117.8812 54.1385 37.6873 175.8002 36 S 4.4357 7.9089 112.7033 59.1926 63.4510 173.5545 37 T 4.6047 7.4283 114.6299 60.0329 70.4828 172.9853 38 A 4.2221 8.0523 128.2578 51.9252 19.8171 176.3995 39 R 4.6559 8.5494 122.0088 54.8081 31.8327 175.5070 40 I 4.3643 8.6809 128.4871 59.8019 38.8865 174.5254 41 D 4.9218 8.5408 126.4058 52.8256 43.0340 175.3835 *43 A 4.0263 8.2864 123.6847 52.3160 19.1131 175.8762 44 L 4.1976 8.8037 124.9677 56.7217 42.9976 176.0056 45 T 4.4040 7.2989 109.8337 60.7529 70.1347 171.7605 46 Q 4.0186 8.6351 121.9645 57.6874 28.6566 177.7760 47 G 3.8671 9.3176 111.1185 45.5528 0.0000 173.0680 48 V 4.4352 7.9868 120.1567 60.2388 34.2941 173.3036 49 P 5.0673 0.0000 0.0000 62.1250 33.4529 175.8661 50 S 4.6225 9.2924 116.1158 57.3408 64.7191 175.1795 51 F 4.0895 9.1527 120.0153 59.6513 39.2695 176.8977 *53 Q 4.1860 8.1810 119.5621 55.6243 30.6347 177.8499 54 V 3.4842 7.5886 116.4692 65.8216 31.4934 178.1010 55 V 3.3587 7.5093 118.1925 65.9366 31.0383 177.2489 56 D 4.2227 7.8007 115.7199 57.4823 41.4176 177.9849 57 V 3.6902 7.6595 118.4965 65.9128 31.6216 177.9422 58 V 3.5882 7.9173 118.3823 66.2762 31.1981 177.6105 59 T 4.2185 7.8077 106.2001 63.2303 68.9499 176.3095 60 R 4.0800 7.6922 120.7191 57.9684 30.5981 176.3684 61 E 4.4459 7.8156 119.5745 55.4659 30.0599 176.0619 *63 Q 4.2284 7.8578 116.6889 55.8222 30.6840 175.1722 64 V 4.9136 8.8795 125.1235 61.2407 32.6625 175.1393 65 E 4.6793 9.2978 125.0976 56.8256 31.9696 175.2482 66 A 4.9544 7.5838 119.7930 51.0754 22.9246 174.8241 67 A 5.1477 9.2465 120.9533 50.2832 22.9630 175.2663 68 I 4.9559 8.9401 122.6023 59.5097 40.4711 174.8959 69 L 5.3635 8.6018 124.7723 52.5502 46.4754 175.8812 70 A 4.7075 8.2389 123.6002 52.1521 19.3936 179.0731 71 T 3.8662 8.9380 119.9051 66.8230 68.4604 176.9100 72 E 3.6840 7.8101 119.7025 58.8974 29.1620 178.9464 73 I 3.6535 7.4259 118.9887 63.6141 37.6971 177.9116 74 K 3.7625 7.4280 118.6098 59.6822 32.0037 178.8455 75 Q 4.1505 7.8194 115.8733 57.9468 29.0829 177.3226 76 Q 4.5255 7.7645 116.0745 55.6090 30.6973 175.6455 77 N 5.0198 8.3057 119.7655 50.6184 39.7062 173.6612 78 P 4.2788 0.0000 0.0000 65.9267 31.8375 177.8196 79 Q 3.9223 8.0131 118.9051 59.0852 29.0373 177.9937 80 L 3.9799 7.9802 120.8181 58.2158 42.2455 177.8301 81 H 4.1798 8.4664 118.5811 59.6251 29.7193 176.7964 82 E 3.9220 8.4319 120.8851 59.4407 29.4636 178.6877 83 T 3.8964 7.9122 115.8379 66.6077 68.4355 176.3103 84 L 4.1020 8.2573 122.2401 58.1205 42.0979 178.9636 85 L 4.0284 8.0293 118.9703 58.1526 41.5763 179.5993 86 T 4.0132 8.0989 115.6917 66.8969 68.3044 176.1579 87 H 4.1930 8.3320 120.0549 59.3959 29.9728 177.3746 88 L 3.9247 8.3485 121.1185 57.4968 41.3226 179.1644 89 E 3.9164 8.3529 119.7069 59.4921 29.5923 179.0005 90 Q 4.0991 8.1031 118.1004 58.6514 28.7213 178.3626 91 L 3.9671 8.2029 122.1036 58.1712 42.1744 179.0571 92 Q 4.2851 8.0154 118.9490 58.8008 28.2219 178.5387 93 Q 3.9526 7.6379 118.6815 59.1843 28.8679 178.2166 94 H 4.3752 8.0055 115.8086 59.0176 28.8094 177.6294 95 Q 4.2161 8.5016 119.2113 56.4751 28.6072 176.8294 96 G 3.8855 8.1784 107.5794 46.1494 0.0000 172.6504 97 N 4.9258 7.7204 117.0586 51.1526 40.1933 171.9445 98 T 4.7303 8.2857 112.1021 60.6070 69.2233 173.7019 99 I 4.3342 9.0885 131.3804 60.5507 37.9758 176.1263 100 K 4.2497 8.6981 127.6682 56.2332 33.1585 176.1082 101 I 5.0024 8.3658 125.7147 59.5979 39.3486 175.0170 102 S 4.7704 8.6064 119.9943 56.9548 67.0636 172.2491 103 Y 5.4308 8.5846 117.2285 56.5770 41.2606 174.8169 104 T 4.9767 8.8897 112.5025 59.6926 73.2634 173.3508 105 T 4.3069 8.4177 111.1044 61.5697 69.6332 174.7852 106 H 4.2384 8.7950 121.1612 59.4972 29.8715 177.4287 107 E 3.9674 8.2917 119.9545 59.6716 29.3847 179.0806 108 Q 4.0008 8.0353 118.9466 58.8777 29.1093 177.6243 109 F 4.0083 8.5902 122.2449 61.4783 39.1845 177.2080 110 K 4.0578 8.2072 116.4755 59.5567 32.1973 179.0994 111 K 4.1052 7.9584 118.1135 59.5501 32.0127 179.4374 112 L 3.9769 8.0174 119.3938 57.7801 41.5401 179.6131 113 T 3.7766 7.8287 109.5206 64.4277 68.3113 176.2802 114 A 4.0700 7.6732 122.7368 54.2768 18.4066 178.1348 115 D 4.7025 7.6241 115.3920 53.3255 41.5598 176.8259 116 S 5.0160 6.9350 114.0816 57.0859 64.0117 174.5161 117 Q 4.0737 9.0259 120.4162 58.8636 28.9020 176.1354 118 A 4.8878 7.4336 116.3301 50.9939 22.8927 175.2885 119 V 4.6337 8.7275 120.3554 61.2649 34.0360 174.5996 120 I 4.6988 9.2046 130.6252 60.0378 38.6125 174.7780 121 R 4.6830 8.8450 129.6390 55.3650 30.6878 176.2970 122 S 4.6304 8.9426 122.2997 57.0036 65.5468 174.0820 123 G 4.0176 8.9652 105.3792 46.2669 0.0000 173.3831 124 E 4.4689 8.4703 123.1279 56.8364 30.2482 176.9626 125 C 4.8109 8.7327 122.5273 59.6315 29.9186 174.3610 126 S 4.3339 7.6425 113.3277 57.0566 63.4240 172.1451 127 P 4.1257 0.0000 0.0000 63.5670 31.6488 175.8527 128 Y 3.3850 7.7163 117.5432 59.1683 35.7212 171.3547 129 A 3.9275 7.4784 120.9804 50.5772 16.2359 177.3134 130 N 5.5728 7.4717 116.7847 50.8198 43.3046 175.2934 131 V 5.0621 9.5702 122.2174 60.2708 35.5757 174.2281 132 I 4.7394 8.9069 124.4359 60.1439 38.8220 174.4906 133 L 5.0253 9.0838 128.0914 53.4485 43.9053 175.2670 134 C 5.1525 9.0498 121.3809 57.7587 30.7293 173.1500 135 A 4.6344 8.9928 126.4857 51.9357 19.0883 176.6291 136 G 4.4528 8.0459 107.0360 46.5586 0.0000 173.0690 137 V 4.6281 8.3181 113.6492 59.6314 35.8369 175.8595 138 T 4.1209 8.3372 114.3428 62.3069 67.2344 174.2114 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 N 8.42 4.70 0.00 2.68 2.91 0.00 0.00 6.98 7.08 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 A 8.12 4.07 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 2 K 9.05 4.09 0.00 1.80 2.09 0.00 1.78 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.47 7.81 3 K 8.33 4.05 0.00 1.78 1.72 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.43 7.81 4 G 8.89 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 0.00 0.00 0.00 5 T 8.17 4.43 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 6 V 7.57 3.99 2.23 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 0.82 0.00 0.00 0.98 0.00 0.00 7 L 8.04 4.31 0.00 1.66 1.70 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 8 N 7.95 4.47 0.00 2.75 2.68 0.00 0.00 6.99 7.63 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 9 S 8.61 4.17 0.00 4.08 4.10 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 10 E 8.21 3.97 0.00 2.17 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 2.40 2.34 0.00 11 I 8.13 3.71 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 1.51 0.70 0.90 0.00 0.00 12 S 8.07 4.26 0.00 4.05 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 13 S 7.78 4.04 0.00 4.01 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 V 7.88 3.78 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 0.76 0.00 0.00 1.03 0.00 0.00 15 I 8.00 3.73 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 1.57 1.15 0.91 0.00 0.00 16 S 7.92 4.28 0.00 4.05 4.10 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 17 R 7.60 4.23 0.00 1.97 2.01 0.00 3.30 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 18 L 7.28 4.21 0.00 1.77 1.60 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 19 G 9.52 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 20 H 8.56 4.33 0.00 3.09 3.24 0.00 5.80 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 21 T 8.73 3.49 4.15 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 0.91 0.00 0.00 22 D 7.87 4.67 0.00 2.78 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 23 T 8.41 5.13 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 1.21 0.00 0.00 24 L 8.74 5.15 0.00 1.72 1.48 0.97 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 25 V 8.73 4.84 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 1.05 0.00 0.00 0.86 0.00 0.00 26 V 8.69 5.02 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 0.78 0.00 0.00 0.86 0.00 0.00 27 C 9.18 5.68 0.00 3.27 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 28 D 9.29 5.20 0.00 3.02 2.99 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 29 A 9.10 4.02 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 30 G 7.99 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 31 L 7.58 4.18 0.00 1.76 1.65 1.09 1.12 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 32 P 0.00 4.47 0.00 2.24 2.05 0.00 3.83 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 2.03 2.02 0.00 33 I 7.99 4.44 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.85 0.93 0.00 0.00 34 P 0.00 4.45 0.00 2.17 1.97 0.00 3.60 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 35 N 8.58 4.64 0.00 2.81 2.94 0.00 0.00 6.12 7.64 0.00 0.00 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 S 7.91 4.44 0.00 3.99 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 37 T 7.43 4.60 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 1.27 0.00 0.00 38 A 8.05 4.22 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 39 R 8.55 4.66 0.00 1.82 1.84 0.00 3.20 0.00 0.00 3.23 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 40 I 8.68 4.36 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 1.11 0.68 0.91 0.00 0.00 41 D 8.54 4.92 0.00 2.69 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 *43 A 8.29 4.03 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 44 L 8.80 4.20 0.00 1.60 1.86 0.92 0.79 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 45 T 7.30 4.40 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 46 Q 8.64 4.02 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.84 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 47 G 9.32 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 0.00 0.00 0.00 48 V 7.99 4.44 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 0.99 0.00 0.00 0.99 0.00 0.00 49 P 0.00 5.07 0.00 2.15 2.15 0.00 3.76 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 50 S 9.29 4.62 0.00 4.09 4.06 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 51 F 9.15 4.09 0.00 3.15 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 *53 Q 8.18 4.19 0.00 2.35 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.70 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 54 V 7.59 3.48 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 1.00 0.00 0.00 0.90 0.00 0.00 55 V 7.51 3.36 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 0.88 0.00 0.00 0.14 0.00 0.00 56 D 7.80 4.22 0.00 2.52 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 57 V 7.66 3.69 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 0.92 0.00 0.00 0.94 0.00 0.00 58 V 7.92 3.59 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 0.97 0.00 0.00 0.89 0.00 0.00 59 T 7.81 4.22 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 1.27 0.00 0.00 60 R 7.69 4.08 0.00 1.95 2.02 0.00 3.11 0.00 0.00 3.14 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.88 0.00 61 E 7.82 4.45 0.00 1.93 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 2.22 2.23 0.00 *63 Q 7.86 4.23 0.00 2.04 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.66 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 64 V 8.88 4.91 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 0.88 0.00 0.00 0.93 0.00 0.00 65 E 9.30 4.68 0.00 2.04 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 2.48 2.25 0.00 66 A 7.58 4.95 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 67 A 9.25 5.15 1.19 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 68 I 8.94 4.96 1.86 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.69 1.02 0.00 0.00 69 L 8.60 5.36 0.00 1.38 1.56 1.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 70 A 8.24 4.71 1.10 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 0.00 0.00 71 T 8.94 3.87 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 1.08 0.00 0.00 72 E 7.81 3.68 0.00 1.16 1.12 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 1.86 2.08 0.00 73 I 7.43 3.65 1.79 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 1.49 1.31 0.85 0.00 0.00 74 K 7.43 3.76 0.00 1.72 1.72 0.00 1.41 0.00 0.00 1.42 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.18 1.05 7.81 75 Q 7.82 4.15 0.00 1.94 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.83 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 76 Q 7.76 4.53 0.00 2.26 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 7.32 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 77 N 8.31 5.02 0.00 2.79 2.64 0.00 0.00 6.84 7.22 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 78 P 0.00 4.28 0.00 2.31 2.44 0.00 3.76 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 2.02 0.00 79 Q 8.01 3.92 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.95 0.00 0.00 0.00 0.00 0.00 2.44 2.37 0.00 80 L 7.98 3.98 0.00 1.84 1.80 0.99 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 81 H 8.47 4.18 0.00 3.31 3.50 0.00 5.66 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 E 8.43 3.92 0.00 2.11 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 2.31 2.40 0.00 83 T 7.91 3.90 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 1.26 0.00 0.00 84 L 8.26 4.10 0.00 1.98 1.96 1.09 0.75 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 85 L 8.03 4.03 0.00 2.04 1.71 0.83 0.68 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 86 T 8.10 4.01 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 87 H 8.33 4.19 0.00 3.29 3.51 0.00 5.79 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 88 L 8.35 3.92 0.00 1.87 1.71 0.97 0.72 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 89 E 8.35 3.92 0.00 2.29 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 2.30 2.35 0.00 90 Q 8.10 4.10 0.00 2.30 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 91 L 8.20 3.97 0.00 1.68 1.74 0.95 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 92 Q 8.02 4.29 0.00 2.57 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.60 2.32 0.00 93 Q 7.64 3.95 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.00 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 94 H 8.01 4.38 0.00 3.28 3.33 0.00 5.65 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 95 Q 8.50 4.22 0.00 2.28 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.40 0.00 0.00 0.00 0.00 0.00 2.51 2.48 0.00 96 G 8.18 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 97 N 7.72 4.93 0.00 2.81 2.91 0.00 0.00 5.52 7.22 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 98 T 8.29 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 99 I 9.09 4.33 1.87 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 1.37 0.66 0.93 0.00 0.00 100 K 8.70 4.25 0.00 1.75 1.73 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.46 1.42 7.81 101 I 8.37 5.00 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.41 0.62 0.00 0.00 102 S 8.61 4.77 0.00 3.85 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 0.00 103 Y 8.58 5.43 0.00 2.85 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 0.00 104 T 8.89 4.98 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 1.27 0.00 0.00 105 T 8.42 4.31 4.27 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 1.23 0.00 0.00 106 H 8.80 4.24 0.00 3.43 3.44 0.00 5.79 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 E 8.29 3.97 0.00 2.06 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 2.45 2.35 0.00 108 Q 8.04 4.00 0.00 2.21 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 109 F 8.59 4.01 0.00 3.34 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 0.00 110 K 8.21 4.06 0.00 2.04 1.90 0.00 1.79 0.00 0.00 1.47 0.00 0.00 3.13 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.55 1.60 7.81 111 K 7.96 4.11 0.00 1.97 1.85 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.49 7.81 112 L 8.02 3.98 0.00 1.59 1.55 0.86 0.42 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 0.00 113 T 7.83 3.78 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 1.00 0.00 0.00 114 A 7.67 4.07 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 0.00 115 D 7.62 4.70 0.00 2.71 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 0.00 116 S 6.93 5.02 0.00 4.11 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 0.00 117 Q 9.03 4.07 0.00 2.14 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.69 0.00 0.00 0.00 0.00 0.00 2.46 2.44 0.00 118 A 7.43 4.89 1.19 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 0.00 119 V 8.73 4.63 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 1.10 0.00 0.00 0.95 0.00 0.00 120 I 9.20 4.70 1.87 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 1.11 0.50 0.91 0.00 0.00 121 R 8.84 4.68 0.00 1.83 1.86 0.00 3.27 0.00 0.00 3.53 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 122 S 8.94 4.63 0.00 4.07 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 0.00 123 G 8.97 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 0.00 124 E 8.47 4.47 0.00 2.36 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 2.28 2.41 0.00 125 C 8.73 4.81 0.00 2.86 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 0.00 126 S 7.64 4.33 0.00 4.04 3.84 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 0.00 127 P 0.00 4.13 0.00 2.13 1.84 0.00 3.80 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.04 0.00 128 Y 7.72 3.39 0.00 3.00 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 0.00 129 A 7.48 3.93 0.89 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 0.00 130 N 7.47 5.57 0.00 2.05 2.84 0.00 0.00 6.99 7.68 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 0.00 131 V 9.57 5.06 2.44 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 1.03 0.00 0.00 1.13 0.00 0.00 132 I 8.91 4.74 1.78 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.10 0.82 0.00 0.00 133 L 9.08 5.03 0.00 1.61 1.58 0.91 0.78 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 0.00 134 C 9.05 5.15 0.00 2.80 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 0.00 135 A 8.99 4.63 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 0.00 136 G 8.05 4.45 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 0.00 0.00 0.00 137 V 8.32 4.63 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 0.73 0.00 0.00 0.88 0.00 0.00 138 T 8.34 4.12 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 * Residues marked with a * may have inaccurate shift predictions.