NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.3423 8.0333 117.3715 63.2210 70.9678 175.8299 4 P 3.7887 0.0000 0.0000 64.6502 31.2173 176.9336 5 S 4.1414 8.7713 112.7922 61.7367 62.7252 175.5748 6 M 4.0811 8.0181 120.8202 58.5638 31.7359 178.4459 7 E 3.9272 8.3117 118.6589 59.5123 29.6184 179.2041 8 D 4.4229 8.2590 119.0258 57.3729 40.7485 178.4825 9 Y 3.8812 8.2882 117.3630 61.0910 37.9210 178.4667 10 I 3.7572 8.0743 120.9587 64.2556 37.1969 178.0820 11 E 3.9578 8.3117 120.1783 59.4024 29.5181 178.6995 12 Q 3.9726 8.1780 119.5208 59.2758 29.0682 178.2312 13 I 3.7640 8.1777 121.2264 64.3536 37.0603 177.7367 14 Y 3.9743 8.2549 120.3973 61.0146 38.6657 178.0699 15 M 4.0626 8.1504 119.4736 58.4341 32.0013 178.7655 16 L 3.8975 7.9575 118.9496 57.8743 41.7726 179.7064 17 I 3.5852 7.7892 119.7389 64.4539 36.7954 178.4515 18 E 3.7984 7.8254 118.4606 58.8769 29.2387 178.8626 19 E 3.9753 8.1907 119.1434 58.9815 29.9924 178.1846 20 K 4.0712 8.3634 116.9388 56.0496 32.9217 177.8118 21 G 3.9624 9.1742 106.7458 44.8603 0.0000 172.1841 22 Y 4.8905 6.3403 115.0836 56.0088 40.0960 173.9985 23 A 4.6670 8.5889 120.5752 50.5108 22.0458 175.2452 24 R 4.5627 8.6501 121.2817 55.1919 32.2961 177.9856 25 V 3.5957 8.6423 121.8575 66.4689 31.4602 178.6610 26 S 4.2108 8.0487 113.2849 61.6553 62.7812 176.1464 27 D 4.3857 7.9721 122.0311 56.8800 40.6686 178.5996 28 I 3.6349 8.1491 120.4802 64.2861 37.1376 178.1091 29 A 3.9928 8.3973 121.9662 55.2752 18.2233 179.3555 30 E 3.8147 8.1280 117.1765 59.4788 29.5706 178.8761 31 A 4.0280 8.0871 119.6592 54.3921 18.4659 178.5485 32 L 4.2712 7.6777 114.3400 53.1726 42.7768 176.1894 33 A 3.7155 7.7135 120.9454 53.5716 16.4486 176.5033 34 V 4.4270 7.9470 112.3844 60.1231 36.3380 175.6962 35 H 4.7254 8.1113 117.5011 54.4925 29.6573 175.2575 36 P 4.4063 0.0000 0.0000 66.0156 31.0524 179.0025 37 S 4.1699 8.1101 113.8630 61.5518 62.9684 176.5444 38 S 4.2157 8.0907 118.5277 61.0780 62.4923 176.8713 39 V 3.7709 7.7422 120.6520 66.3177 31.4921 177.9245 40 T 3.9844 8.2937 115.8638 66.6880 68.2144 176.6011 41 K 3.9453 7.9296 119.8320 59.8119 32.0954 179.1078 42 M 3.8384 8.0488 118.3881 58.5152 31.9252 178.3734 43 V 3.6118 8.4909 118.8664 66.1153 31.6121 178.0782 44 Q 4.0878 8.3116 117.9149 58.6257 28.4069 178.6732 45 K 3.9578 7.8128 120.6589 59.5486 32.2184 178.9854 46 L 4.2395 8.1604 119.4159 57.7516 41.5091 179.0735 47 D 5.0258 8.5281 119.8336 56.7938 41.0118 178.1032 48 K 3.9549 8.0412 119.0099 59.6313 32.3179 177.7140 49 D 4.5040 8.1461 115.5677 53.8971 40.7993 176.0894 50 E 3.7860 7.8509 117.8554 57.7699 27.4845 175.2348 51 Y 4.3946 8.1992 119.1087 59.9248 38.7898 175.0095 52 L 4.8941 7.3914 118.2103 55.2379 44.1467 173.5581 53 I 4.9805 8.6746 119.6809 59.3434 40.5518 174.7621 54 Y 3.8543 9.1912 128.4606 57.0509 38.4392 175.5777 *59 G 3.9499 8.4951 118.8511 45.2991 0.0000 171.8130 60 L 4.5695 8.0070 122.9095 54.7391 41.7912 176.4660 61 V 4.5050 8.1798 121.5750 60.9430 34.3597 174.6185 62 L 4.8409 8.5844 127.5088 54.7608 42.8116 177.1197 63 T 4.3995 8.5696 113.6708 60.4274 70.5693 175.7513 64 S 4.1801 8.5991 115.8342 61.4931 62.6643 176.3668 65 K 4.0847 8.1077 122.8704 59.3816 32.0126 178.9689 66 G 3.8495 8.1005 106.1357 47.5914 0.0000 176.0095 67 K 4.2839 8.3612 120.8293 59.4480 32.1784 179.6125 68 K 3.9812 8.2742 118.8064 59.5534 31.8566 179.5737 69 I 3.9390 7.9696 120.2640 64.1028 36.9817 178.7415 70 G 3.3623 8.4182 107.0786 47.5148 0.0000 175.6062 71 K 3.1554 7.4767 122.5586 58.9990 32.0943 179.0441 72 R 4.1036 7.8475 118.1901 59.3012 29.9402 179.0810 73 L 3.9781 8.2177 119.0888 57.7257 41.5335 179.7094 74 V 3.5927 7.8899 118.2975 66.0815 31.3969 177.3899 75 Y 4.0877 8.2358 119.3262 60.7057 38.6750 177.9367 76 R 3.5988 8.4178 119.9431 59.5974 30.1251 177.7237 77 H 3.8723 8.2838 117.8933 59.4517 29.9191 176.8614 78 E 3.9843 8.3740 120.3956 59.3924 29.2540 179.2987 79 L 3.8170 7.8768 120.4957 58.1791 42.2281 179.1138 80 L 4.1590 7.8776 118.8094 57.6318 41.3592 179.4713 81 E 3.9588 8.1720 118.8503 59.4584 29.4606 179.2516 82 Q 3.9777 8.1709 118.1291 58.7752 28.7237 178.3934 83 F 4.2788 8.6272 122.0781 61.6587 39.3808 177.2465 84 L 3.3308 7.6985 118.1052 57.3367 41.3745 179.5775 85 R 3.7735 8.0828 118.8639 59.5169 29.8368 178.6375 86 I 3.6396 7.8694 118.8009 64.1028 37.1673 177.6595 87 I 3.8629 7.0561 110.6149 60.8110 37.4585 176.2215 88 G 3.7182 7.5450 107.9665 46.2039 0.0000 174.0248 89 V 3.6533 7.6492 119.5912 61.6566 32.2095 175.6087 90 D 4.3112 8.7354 125.8834 55.0526 41.2406 176.9971 91 E 3.8778 9.1376 124.5772 59.8134 29.2609 178.7247 92 E 4.1065 8.1280 116.1360 58.3250 29.7482 178.2125 93 K 4.3364 8.1749 117.9255 57.2307 32.5476 178.7166 94 I 3.6908 7.4501 120.9021 64.4415 36.9583 177.3915 95 Y 4.0212 8.0239 119.6096 61.0045 38.8564 177.6257 96 N 4.2507 8.3732 116.7355 56.5648 38.6202 177.0474 97 D 4.3789 7.8259 120.1286 57.3230 40.9029 178.8924 98 V 3.4680 7.8119 118.8529 66.0545 31.2313 177.8980 99 E 3.9832 8.0328 117.6849 58.7844 29.2104 178.8944 100 G 3.8300 7.2617 103.6917 46.6615 0.0000 175.5438 101 I 4.0755 7.8459 115.1548 62.5684 37.7595 177.6457 102 E 3.7282 7.9879 118.6786 59.5682 29.1333 177.9964 103 H 4.5251 7.8668 114.0158 57.1799 29.1740 175.3172 104 H 4.8852 8.1713 116.6426 55.2359 29.0900 173.6552 105 L 4.6394 7.5652 119.3563 52.3755 43.9578 177.4907 106 S 4.3093 8.3395 118.4846 57.9362 65.0864 175.3446 107 W 4.1062 8.6485 122.0576 59.6730 28.7332 178.3458 108 N 4.4202 8.2652 116.9773 56.8332 38.4250 176.9900 109 S 4.1071 7.9548 116.3185 61.4704 62.8632 176.7502 110 I 3.6194 7.7976 122.5651 64.5011 36.9624 178.2244 111 D 4.5161 8.6968 120.1728 57.5247 40.6243 179.1584 112 R 4.1239 8.2423 118.6629 59.2871 30.0879 179.1528 113 I 3.6497 8.1762 120.2492 64.0980 37.0659 178.7185 114 G 3.7165 8.2088 106.8206 47.9408 0.0000 175.5674 115 D 4.4888 8.0266 120.7121 56.7688 40.7775 178.6469 116 L 3.9630 7.8794 121.2214 58.1339 42.1413 179.1383 117 V 3.8519 8.0415 118.2744 66.2040 31.5357 177.8017 118 Q 4.0479 8.2204 119.1287 59.0969 28.6464 177.2929 119 Y 4.0048 8.0155 120.0128 61.0711 39.0765 178.2572 120 F 4.2432 8.3804 118.2800 60.2894 38.7832 177.4474 121 E 4.1403 8.1927 117.6830 58.2352 29.4067 177.8220 122 E 4.6045 7.6813 115.6899 55.3033 30.4514 175.8804 123 D 4.2209 7.2700 116.6848 52.7716 43.5016 175.7705 124 D 4.4648 8.6005 128.1671 57.0315 40.7239 178.4399 125 A 4.0541 8.2486 121.7178 55.1131 18.2582 179.8513 126 R 3.9745 7.9604 116.6185 59.3320 29.9984 179.4038 127 K 4.0665 8.0541 117.9403 59.4070 32.1428 179.3843 128 K 3.9830 8.1787 118.8112 59.5927 31.4941 179.1933 129 D 4.4129 8.5197 119.6784 57.2305 40.4961 178.5767 130 L 4.0829 8.3248 121.0760 57.8445 41.9444 178.9082 131 K 3.9347 8.3716 120.0313 59.5012 32.1194 178.9407 132 S 4.1513 8.1046 115.5138 61.7093 62.6413 176.7490 133 I 3.7506 7.5330 121.8686 64.5073 36.8329 178.4365 134 Q 3.9920 7.7712 118.7093 58.8633 28.2328 179.2052 135 K 4.0074 7.5572 118.7530 59.2896 32.1739 179.2395 136 K 4.1290 7.7803 117.7737 59.7406 32.0493 179.1901 137 T 4.0060 7.9909 115.1856 66.5836 68.4932 174.7518 138 E 4.2488 8.0695 123.5362 56.8987 29.7595 176.8683 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 T 8.03 4.34 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 1.20 0.00 0.00 4 P 0.00 3.79 0.00 2.12 1.82 0.00 3.56 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.07 0.00 5 S 8.77 4.14 0.00 3.92 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 6 M 8.02 4.08 0.00 1.97 2.18 0.00 0.00 0.00 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.57 0.00 7 E 8.31 3.93 0.00 2.21 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 0.00 2.30 2.46 0.00 8 D 8.26 4.42 0.00 2.89 2.65 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 0.00 0.00 0.00 0.00 9 Y 8.29 3.88 0.00 3.21 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 10 I 8.07 3.76 1.82 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.77 0.91 0.00 0.00 11 E 8.31 3.96 0.00 2.14 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 0.00 2.33 2.34 0.00 12 Q 8.18 3.97 0.00 2.22 2.20 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 2.27 2.41 0.00 13 I 8.18 3.76 2.08 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.66 0.97 0.00 0.00 14 Y 8.25 3.97 0.00 3.23 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 15 M 8.15 4.06 0.00 2.15 2.25 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.03 2.71 0.00 16 L 7.96 3.90 0.00 1.83 1.79 0.95 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 17 I 7.79 3.59 1.82 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 1.50 0.65 0.81 0.00 0.00 18 E 7.83 3.80 0.00 1.78 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 2.17 1.84 0.00 19 E 8.19 3.98 0.00 1.89 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 2.22 2.28 0.00 20 K 8.36 4.07 0.00 1.25 0.75 0.00 1.51 0.00 0.00 1.51 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.19 1.21 7.81 21 G 9.17 3.96 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 0.00 0.00 0.00 22 Y 6.34 4.89 0.00 2.90 2.92 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 23 A 8.59 4.67 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 24 R 8.65 4.56 0.00 1.94 1.87 0.00 3.13 0.00 0.00 3.19 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.86 0.00 25 V 8.64 3.60 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 1.14 0.00 0.00 0.92 0.00 0.00 26 S 8.05 4.21 0.00 4.11 4.13 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 0.00 0.00 0.00 0.00 27 D 7.97 4.39 0.00 2.89 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 28 I 8.15 3.63 2.10 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.86 0.98 0.00 0.00 29 A 8.40 3.99 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 30 E 8.13 3.81 0.00 2.08 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 2.29 2.31 0.00 31 A 8.09 4.03 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 32 L 7.68 4.27 0.00 1.43 1.47 -0.23 0.66 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 33 A 7.71 3.72 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 34 V 7.95 4.43 2.15 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 0.81 0.00 0.00 1.03 0.00 0.00 35 H 8.11 4.73 0.00 3.28 3.26 0.00 5.82 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.41 0.00 2.31 2.36 0.00 3.77 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.07 0.00 37 S 8.11 4.17 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 38 S 8.09 4.22 0.00 4.29 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 39 V 7.74 3.77 2.36 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 1.23 0.00 0.00 1.12 0.00 0.00 40 T 8.29 3.98 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 1.32 0.00 0.00 41 K 7.93 3.95 0.00 1.99 1.84 0.00 1.73 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.64 7.81 42 M 8.05 3.84 0.00 1.47 1.43 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.81 0.00 43 V 8.49 3.61 2.38 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 1.16 0.00 0.00 0.99 0.00 0.00 44 Q 8.31 4.09 0.00 2.33 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.59 0.00 0.00 0.00 0.00 0.00 2.39 2.71 0.00 45 K 7.81 3.96 0.00 1.77 1.97 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.50 7.81 46 L 8.16 4.24 0.00 1.96 1.88 0.95 0.76 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 47 D 8.53 5.03 0.00 2.89 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 48 K 8.04 3.95 0.00 1.86 2.05 0.00 1.86 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.49 7.81 49 D 8.15 4.50 0.00 2.81 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 0.00 0.00 0.00 0.00 50 E 7.85 3.79 0.00 1.95 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 2.19 2.20 0.00 51 Y 8.20 4.39 0.00 3.25 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 52 L 7.39 4.89 0.00 1.99 1.85 0.99 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 53 I 8.67 4.98 1.92 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 1.16 1.26 0.98 0.00 0.00 54 Y 9.19 3.85 0.00 3.18 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 *59 G 8.50 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 60 L 8.01 4.57 0.00 1.67 1.46 0.94 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 61 V 8.18 4.51 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 0.95 0.00 0.00 62 L 8.58 4.84 0.00 1.66 1.69 1.12 1.09 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 63 T 8.57 4.40 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 1.28 0.00 0.00 64 S 8.60 4.18 0.00 4.09 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 65 K 8.11 4.08 0.00 1.84 2.00 0.00 1.66 0.00 0.00 1.73 0.00 0.00 2.75 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.67 1.57 7.81 66 G 8.10 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 0.00 0.00 0.00 67 K 8.36 4.28 0.00 2.07 2.03 0.00 1.93 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.62 1.63 7.81 68 K 8.27 3.98 0.00 1.84 1.87 0.00 1.66 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.65 7.81 69 I 7.97 3.94 2.01 0.00 0.00 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 1.58 0.92 0.91 0.00 0.00 70 G 8.42 3.36 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 0.00 71 K 7.48 3.16 0.00 1.67 1.82 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.41 1.51 7.81 72 R 7.85 4.10 0.00 2.23 2.41 0.00 3.30 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.82 0.00 73 L 8.22 3.98 0.00 1.79 1.70 0.97 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 74 V 7.89 3.59 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 1.18 0.00 0.00 1.05 0.00 0.00 75 Y 8.24 4.09 0.00 3.16 3.22 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 76 R 8.42 3.60 0.00 1.87 2.01 0.00 2.98 0.00 0.00 2.94 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.31 0.00 77 H 8.28 3.87 0.00 3.44 3.45 0.00 5.85 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 78 E 8.37 3.98 0.00 2.19 1.98 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 2.39 2.53 0.00 79 L 7.88 3.82 0.00 1.07 1.45 0.90 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 80 L 7.88 4.16 0.00 1.73 1.67 0.77 0.72 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 E 8.17 3.96 0.00 2.19 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 2.29 2.47 0.00 82 Q 8.17 3.98 0.00 2.29 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.78 0.00 0.00 0.00 0.00 0.00 2.40 2.62 0.00 83 F 8.63 4.28 0.00 3.01 3.30 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 84 L 7.70 3.33 0.00 1.62 1.49 0.86 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 85 R 8.08 3.77 0.00 1.92 2.06 0.00 3.09 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 86 I 7.87 3.64 2.04 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 1.56 0.73 0.63 0.00 0.00 87 I 7.06 3.86 1.66 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.24 0.72 0.00 0.00 88 G 7.55 3.72 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 0.00 0.00 0.00 89 V 7.65 3.65 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 0.72 0.00 0.00 0.79 0.00 0.00 90 D 8.74 4.31 0.00 2.74 2.60 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 91 E 9.14 3.88 0.00 2.05 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 2.37 2.48 0.00 92 E 8.13 4.11 0.00 1.97 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 2.30 2.38 0.00 93 K 8.17 4.34 0.00 1.90 1.82 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.45 7.81 94 I 7.45 3.69 2.02 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 1.34 0.72 0.90 0.00 0.00 95 Y 8.02 4.02 0.00 3.07 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 96 N 8.37 4.25 0.00 2.83 2.87 0.00 0.00 7.04 8.08 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 97 D 7.83 4.38 0.00 2.61 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 98 V 7.81 3.47 1.90 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 0.75 0.00 0.00 0.85 0.00 0.00 99 E 8.03 3.98 0.00 1.92 1.84 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 1.47 1.92 0.00 100 G 7.26 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 0.00 0.00 0.00 101 I 7.85 4.08 1.85 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 1.71 1.06 0.89 0.00 0.00 102 E 7.99 3.73 0.00 1.87 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 0.00 2.21 1.74 0.00 103 H 7.87 4.53 0.00 2.93 3.19 0.00 5.66 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 H 8.17 4.89 0.00 3.03 3.27 0.00 5.79 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.57 4.64 0.00 1.41 1.41 0.81 0.86 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 0.00 106 S 8.34 4.31 0.00 4.08 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 0.00 107 W 8.65 4.11 0.00 3.46 3.29 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 0.00 108 N 8.27 4.42 0.00 2.89 2.84 0.00 0.00 7.25 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 0.00 109 S 7.95 4.11 0.00 3.97 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 0.00 110 I 7.80 3.62 2.04 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.37 1.00 0.00 0.00 111 D 8.70 4.52 0.00 3.05 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 0.00 112 R 8.24 4.12 0.00 1.92 1.93 0.00 3.28 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.79 0.00 113 I 8.18 3.65 1.86 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.81 0.44 0.00 0.00 114 G 8.21 3.72 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 0.00 0.00 0.00 115 D 8.03 4.49 0.00 2.87 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 0.00 116 L 7.88 3.96 0.00 1.79 1.94 1.03 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 117 V 8.04 3.85 2.34 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 1.05 0.00 0.00 1.11 0.00 0.00 118 Q 8.22 4.05 0.00 2.41 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.54 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 119 Y 8.02 4.00 0.00 2.93 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 0.00 120 F 8.38 4.24 0.00 3.34 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 0.00 121 E 8.19 4.14 0.00 2.16 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 2.73 2.53 0.00 122 E 7.68 4.60 0.00 2.12 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 0.00 2.44 2.18 0.00 123 D 7.27 4.22 0.00 2.64 2.34 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 0.00 124 D 8.60 4.46 0.00 2.81 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 0.00 125 A 8.25 4.05 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 0.00 126 R 7.96 3.97 0.00 2.01 1.95 0.00 2.60 0.00 0.00 2.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.49 0.00 127 K 8.05 4.07 0.00 2.00 1.84 0.00 1.70 0.00 0.00 1.81 0.00 0.00 2.99 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.59 1.76 7.81 128 K 8.18 3.98 0.00 2.03 1.87 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.47 1.71 7.81 129 D 8.52 4.41 0.00 2.93 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 0.00 130 L 8.32 4.08 0.00 1.97 1.79 0.98 -0.18 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 0.00 131 K 8.37 3.93 0.00 1.99 1.94 0.00 1.55 0.00 0.00 1.60 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.51 7.81 132 S 8.10 4.15 0.00 4.13 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 0.00 133 I 7.53 3.75 2.06 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 1.55 0.93 0.93 0.00 0.00 134 Q 7.77 3.99 0.00 2.29 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.54 0.00 135 K 7.56 4.01 0.00 1.86 1.87 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.71 1.62 7.81 136 K 7.78 4.13 0.00 1.90 1.88 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.68 1.63 7.81 137 T 7.99 4.01 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 1.21 0.00 0.00 138 E 8.07 4.25 0.00 2.14 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 2.60 2.48 0.00 * Residues marked with a * may have inaccurate shift predictions.