NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 R 4.3377 8.2431 119.7042 55.1937 31.8946 176.7348 4 G 4.1459 8.4535 117.9907 44.1259 0.0000 171.4739 5 C 4.6930 8.8371 124.2137 54.9149 45.7049 172.9063 6 A 3.9385 8.3939 131.3633 52.5226 18.1592 177.7284 7 R 4.0596 8.3058 121.2063 57.2560 30.7057 177.2705 8 W 4.7412 6.8498 113.5031 55.9833 28.5257 176.9471 9 C 4.0670 7.5579 116.8270 56.9008 34.4317 172.0434 10 P 4.5625 0.0000 0.0000 61.9142 31.8226 175.3298 11 Q 3.9183 8.3692 119.7970 58.1809 29.2972 176.1693 12 D 4.1873 8.8305 122.7914 54.6638 37.8321 173.1317 13 S 5.1216 7.5890 112.0163 56.7497 66.5832 173.2596 14 S 4.8005 8.8323 115.7580 56.3170 67.0038 171.4483 15 C 4.6244 8.7585 118.0518 56.0671 41.4175 173.8579 16 V 3.9442 8.4533 115.1939 62.1167 33.1825 175.2542 17 N 4.8629 7.4771 113.9482 53.3654 39.1307 174.3834 18 A 4.0032 8.7733 119.8950 55.3027 18.6557 178.4645 19 T 5.1524 8.2972 103.4888 61.1426 70.2333 173.7771 20 A 5.0999 7.8045 122.0776 51.6173 23.0291 176.1828 21 C 5.3512 9.1916 116.2308 55.4672 46.1841 173.0171 22 R 4.9713 8.6091 118.8604 54.9002 33.2868 173.6882 23 C 4.7671 8.9381 123.1795 57.3520 35.6411 173.4081 24 N 4.7813 9.2347 120.0028 52.1403 39.8019 173.0108 25 P 4.4357 0.0000 0.0000 64.6217 31.8692 177.2561 26 G 3.8505 9.4211 110.4688 44.9144 0.0000 172.3450 27 F 5.4886 7.8244 116.7672 55.5744 42.8221 174.5696 28 S 4.9999 9.4441 115.0246 56.8364 66.5675 172.9027 29 S 5.1256 8.5063 114.7273 56.4729 65.8840 173.8015 30 F 4.2198 9.2052 122.5160 61.0152 38.7600 175.5283 31 S 4.7010 7.9014 115.8782 56.5934 64.3743 175.0601 32 E 4.1240 8.6587 121.1818 58.2682 29.7565 177.0627 33 I 4.6340 7.0419 116.9193 59.2681 39.8820 174.8627 34 I 4.7012 8.9869 126.7856 60.2550 37.7499 176.4432 35 T 4.9590 9.1980 114.0471 61.4521 69.9617 173.6814 36 T 4.1063 7.7031 111.7748 59.2630 71.8327 172.5757 37 P 4.8619 0.0000 0.0000 64.3593 31.8496 177.0650 38 M 4.2338 7.3789 118.0784 57.3225 32.3834 176.7813 39 E 4.2913 7.7979 117.7542 56.3390 30.2871 175.6267 40 T 4.8291 8.2397 110.5674 60.1691 72.0856 174.1657 41 C 5.1229 8.8208 120.4273 55.7366 40.5257 172.8853 42 D 5.1519 9.2015 125.0842 52.4902 42.6670 176.0712 43 D 4.4218 8.9379 122.0042 54.8074 42.0007 175.3503 44 I 4.1410 8.0333 126.5695 60.2321 38.6539 175.9529 45 N 4.8546 8.5431 125.4304 51.2193 37.7034 174.7388 46 E 3.8252 8.4094 125.0791 59.1061 29.7747 179.9469 47 C 4.2683 8.1292 114.1577 58.2559 40.2802 173.8801 48 A 4.3282 7.5811 121.3286 52.0535 18.6836 177.8400 49 T 3.7990 6.7038 113.4951 65.2918 69.1969 174.2411 *54 S 4.1735 7.6560 112.3762 58.6379 63.5405 175.7496 55 C 4.4862 8.6926 124.3315 57.9453 40.8359 173.8127 56 G 3.9979 7.4145 104.1778 43.6205 0.0000 172.9750 57 K 3.6359 8.1214 117.5937 57.8993 33.2626 176.3203 58 F 3.6781 8.1183 118.0002 58.4238 36.4134 174.8230 59 S 5.3439 7.8556 111.3483 56.8910 66.5361 172.2773 60 D 5.0159 9.2975 119.8044 52.6553 44.9401 173.9527 61 C 5.2248 8.5766 120.9389 54.7805 45.8195 172.7217 62 W 4.6859 9.3950 126.5700 54.6966 31.2318 174.6404 63 N 4.9999 8.8810 124.4926 53.6782 39.7106 173.9144 64 T 4.6405 8.6257 114.3532 59.4841 72.2290 172.6317 65 E 4.2060 8.6592 121.1971 57.7940 29.0748 177.6579 66 G 3.7174 10.5857 114.2794 45.3268 0.0000 172.7811 67 S 4.3264 7.0262 113.0476 59.0902 65.0362 171.8472 68 Y 5.0463 7.5785 115.3529 57.0103 40.2848 173.3441 69 D 4.6056 8.9888 119.2702 52.8784 45.7095 174.0692 70 C 5.0827 8.8704 120.3838 55.9939 38.3506 173.2545 71 V 4.9408 8.5967 115.0470 59.4811 36.0311 174.3239 72 C 5.0771 9.1102 120.8961 57.2474 41.7731 174.0176 73 S 4.7942 9.2950 119.5416 57.6444 64.0846 172.1747 74 P 4.5522 0.0000 0.0000 64.4227 31.5428 177.1151 75 G 3.9484 9.2127 110.3561 45.9053 0.0000 172.2250 76 Y 5.2940 7.6845 116.0885 56.1908 41.4286 174.9395 77 E 4.9780 9.0372 118.5720 54.0410 33.9171 172.5688 78 P 4.6669 0.0000 0.0000 62.7486 32.0894 177.2765 79 V 3.5810 9.3452 126.3962 65.9558 31.5437 177.2433 80 S 4.2032 8.0566 112.2601 59.1104 63.0401 175.0038 81 G 3.9306 7.9822 109.6422 45.4555 0.0000 173.7493 82 A 4.0983 7.3566 123.0531 51.8935 18.3913 177.7248 83 K 4.2277 8.7834 123.2876 59.5022 33.1194 177.4211 84 T 4.9144 7.6283 113.9842 61.7447 72.2392 172.3181 85 F 4.9935 8.3930 117.6528 56.2152 41.1009 174.7735 86 K 4.4103 9.5729 119.5002 56.8172 33.9691 176.1703 87 N 5.2905 8.1852 114.1590 51.0220 40.4229 174.5126 88 E 4.2195 8.9949 119.2579 58.6578 29.6759 179.4125 89 S 4.1849 8.1307 111.8923 60.5590 63.1973 174.4830 90 E 4.3298 8.0845 118.7860 55.7603 29.5735 175.1774 91 N 3.3482 7.6342 119.6745 53.3197 39.1057 174.4632 92 T 4.6511 7.7072 115.5591 61.4373 70.5920 173.9367 93 C 5.1473 8.6264 120.3244 58.1807 41.5715 173.3126 94 Q 4.9745 9.1849 121.9225 53.6357 33.0366 174.3116 95 D 4.3714 8.7492 121.0446 54.6141 42.0769 175.6156 96 V 3.8599 8.0639 125.8298 62.2054 32.6338 176.3746 97 D 4.8658 8.4885 129.0444 52.4164 40.1678 176.0472 98 E 3.8405 8.4107 126.2498 58.9469 29.3521 179.5549 99 C 4.2916 7.9282 115.5889 60.0934 40.4953 175.7614 100 S 4.1915 8.0888 115.7999 61.4298 62.5655 176.4431 101 S 4.3052 8.0515 114.9167 58.7401 63.0146 175.2106 102 G 3.7660 7.4158 109.9865 46.2299 0.0000 174.7079 103 Q 4.0100 7.5860 118.8249 57.5447 28.9955 176.4619 104 H 3.9550 7.4501 112.8286 55.5372 28.9770 174.7026 105 Q 4.7019 8.3981 117.9540 55.6371 29.3058 175.9555 106 C 4.5145 8.4285 114.4168 56.9803 36.9112 173.3540 107 D 4.6627 8.4418 121.9404 53.6809 41.4825 177.4079 108 S 4.2631 8.6804 120.1472 60.3632 62.8785 174.9974 109 S 3.6780 7.9226 115.0390 58.8217 63.3607 173.1161 110 T 4.7660 7.9342 111.0725 59.8140 72.2523 173.1908 111 V 4.3790 8.6424 120.8613 59.5414 33.8875 174.5304 112 C 4.7865 8.7726 125.0719 56.7092 43.2420 172.2320 113 F 5.0192 9.5390 128.2087 56.1799 41.8185 173.4950 114 N 4.6777 8.7107 125.7667 53.6217 39.8897 173.8638 115 T 4.3079 8.2970 114.6126 59.2221 72.0330 173.2373 116 V 3.6892 8.0921 122.0292 64.7341 31.3151 175.5946 117 G 3.5997 10.5416 117.8396 45.3658 0.0000 171.9017 118 S 4.3737 7.1146 112.3081 58.7451 64.5360 171.3118 119 Y 4.9901 7.5888 116.0056 57.0111 40.5638 172.8560 120 S 4.6496 9.1116 114.1999 57.5175 67.2220 171.8794 121 C 5.5257 8.9713 116.4137 55.3157 38.8114 173.9806 122 R 5.6156 8.7136 121.7033 53.3212 33.7578 174.9633 123 C 4.5343 9.0015 118.9653 56.8558 41.2540 174.3329 124 R 4.4004 7.7924 117.0938 54.5241 29.4212 176.2014 125 P 4.7002 0.0000 0.0000 62.9034 30.0362 177.4470 126 G 4.1045 7.7129 104.4447 46.6463 0.0000 172.2287 127 W 4.5543 8.4222 118.0419 56.4314 30.2982 175.9839 128 K 4.8519 8.4784 119.7012 53.8349 35.7979 174.0571 129 P 4.8600 0.0000 0.0000 62.5804 31.9889 176.8080 130 R 4.4219 9.0680 123.3596 55.8980 31.4278 176.0717 131 H 4.0865 8.5565 117.1556 57.5449 28.6659 175.9725 132 G 3.9877 9.1987 110.5990 45.2442 0.0000 173.0278 133 I 4.4960 7.1549 120.2400 58.6521 39.6315 173.9423 134 P 4.4571 0.0000 0.0000 62.0643 32.1456 175.5256 135 N 4.5681 8.4205 118.5716 53.6936 39.7924 173.5952 136 N 4.1204 8.1704 115.0162 54.9878 37.8308 173.2585 137 Q 4.7226 8.2532 114.0279 53.3637 32.9237 176.9978 138 K 4.0223 8.5444 118.1963 58.8555 32.1402 178.0092 139 D 4.8296 7.8403 115.7654 52.9100 39.7532 176.4756 140 T 3.9471 7.6731 116.5532 64.5486 69.0417 173.4887 141 V 4.5079 8.2522 124.1080 61.6128 35.0774 174.6987 142 C 5.7093 8.9969 124.8787 55.6267 44.0804 173.9055 143 E 4.4036 9.4721 117.5495 57.2967 28.8388 175.4030 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 R 8.24 4.34 0.00 1.81 1.80 0.00 3.12 0.00 0.00 3.23 7.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 4 G 8.45 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 0.00 0.00 0.00 0.00 5 C 8.84 4.69 0.00 2.83 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 6 A 8.39 3.94 0.35 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 7 R 8.31 4.06 0.00 1.86 1.99 0.00 3.24 0.00 0.00 3.30 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 8 W 6.85 4.74 0.00 3.54 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 9 C 7.56 4.07 0.00 2.79 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 10 P 0.00 4.56 0.00 2.24 2.31 0.00 3.77 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 11 Q 8.37 3.92 0.00 2.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.52 0.00 0.00 0.00 0.00 0.00 2.24 2.36 0.00 12 D 8.83 4.19 0.00 2.32 1.54 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 0.00 13 S 7.59 5.12 0.00 3.80 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 14 S 8.83 4.80 0.00 3.68 3.67 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 15 C 8.76 4.62 0.00 2.98 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 16 V 8.45 3.94 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 0.71 0.00 0.00 0.97 0.00 0.00 17 N 7.48 4.86 0.00 2.89 2.90 0.00 0.00 6.63 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 18 A 8.77 4.00 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 19 T 8.30 5.15 4.42 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 1.31 0.00 0.00 20 A 7.80 5.10 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 21 C 9.19 5.35 0.00 2.78 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 R 8.61 4.97 0.00 1.85 1.69 0.00 3.10 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 23 C 8.94 4.77 0.00 2.97 3.14 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 24 N 9.23 4.78 0.00 2.66 2.84 0.00 0.00 7.02 8.05 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 25 P 0.00 4.44 0.00 2.10 2.04 0.00 3.74 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 26 G 9.42 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 27 F 7.82 5.49 0.00 3.05 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 28 S 9.44 5.00 0.00 3.84 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 29 S 8.51 5.13 0.00 3.93 3.99 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 30 F 9.21 4.22 0.00 3.02 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 31 S 7.90 4.70 0.00 4.14 3.79 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 32 E 8.66 4.12 0.00 2.06 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 2.25 2.33 0.00 33 I 7.04 4.63 1.91 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 1.31 0.97 0.96 0.00 0.00 34 I 8.99 4.70 2.07 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 1.20 1.70 1.22 0.00 0.00 35 T 9.20 4.96 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 1.30 0.00 0.00 36 T 7.70 4.11 4.07 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 0.00 0.00 1.10 0.00 0.00 37 P 0.00 4.86 0.00 2.26 2.57 0.00 3.35 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.77 0.00 38 M 7.38 4.23 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.51 0.00 39 E 7.80 4.29 0.00 2.18 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 2.40 2.29 0.00 40 T 8.24 4.83 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 41 C 8.82 5.12 0.00 2.94 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 42 D 9.20 5.15 0.00 2.64 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 43 D 8.94 4.42 0.00 2.91 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 44 I 8.03 4.14 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 1.09 0.67 0.85 0.00 0.00 45 N 8.54 4.85 0.00 2.68 2.67 0.00 0.00 7.68 7.65 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 46 E 8.41 3.83 0.00 1.64 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 2.29 2.28 0.00 47 C 8.13 4.27 0.00 3.01 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 A 7.58 4.33 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 49 T 6.70 3.80 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 1.15 0.00 0.00 *54 S 7.66 4.17 0.00 3.86 3.78 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 55 C 8.69 4.49 0.00 3.06 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 G 7.41 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 57 K 8.12 3.64 0.00 0.79 1.37 0.00 1.63 0.00 0.00 1.46 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.23 1.29 7.81 58 F 8.12 3.68 0.00 2.95 1.63 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 0.00 0.00 0.00 0.00 59 S 7.86 5.34 0.00 4.20 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 D 9.30 5.02 0.00 2.81 2.47 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 61 C 8.58 5.22 0.00 2.90 2.84 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 62 W 9.40 4.69 0.00 3.24 3.14 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 63 N 8.88 5.00 0.00 2.98 2.70 0.00 0.00 6.66 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 64 T 8.63 4.64 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 1.31 0.00 0.00 65 E 8.66 4.21 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.35 0.00 66 G 10.59 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 67 S 7.03 4.33 0.00 3.83 3.58 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 68 Y 7.58 5.05 0.00 3.06 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 69 D 8.99 4.61 0.00 2.55 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 70 C 8.87 5.08 0.00 1.38 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 V 8.60 4.94 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 0.65 0.00 0.00 1.17 0.00 0.00 72 C 9.11 5.08 0.00 3.04 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 73 S 9.29 4.79 0.00 3.99 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 74 P 0.00 4.55 0.00 2.12 2.07 0.00 3.80 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.21 0.00 75 G 9.21 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 76 Y 7.68 5.29 0.00 3.01 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 77 E 9.04 4.98 0.00 2.03 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 0.00 2.20 2.27 0.00 78 P 0.00 4.67 0.00 2.15 2.27 0.00 3.75 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 79 V 9.35 3.58 2.19 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 0.79 0.00 0.00 0.95 0.00 0.00 80 S 8.06 4.20 0.00 3.99 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 81 G 7.98 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 82 A 7.36 4.10 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 83 K 8.78 4.23 0.00 1.89 1.98 0.00 1.50 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.47 7.81 84 T 7.63 4.91 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 1.22 0.00 0.00 85 F 8.39 4.99 0.00 3.39 3.07 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 0.00 0.00 0.00 86 K 9.57 4.41 0.00 1.88 1.92 0.00 1.29 0.00 0.00 0.95 0.00 0.00 2.59 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.24 1.39 7.81 87 N 8.19 5.29 0.00 2.90 2.98 0.00 0.00 5.89 7.66 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 88 E 8.99 4.22 0.00 2.15 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 0.00 2.31 2.23 0.00 89 S 8.13 4.18 0.00 4.02 4.01 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 90 E 8.08 4.33 0.00 2.17 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 2.26 0.00 91 N 7.63 3.35 0.00 2.67 2.73 0.00 0.00 6.87 7.80 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 92 T 7.71 4.65 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 1.11 0.00 0.00 93 C 8.63 5.15 0.00 3.05 3.28 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 94 Q 9.18 4.97 0.00 1.97 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.97 0.00 0.00 0.00 0.00 0.00 2.53 2.46 0.00 95 D 8.75 4.37 0.00 2.36 2.43 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 96 V 8.06 3.86 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 1.00 0.00 0.00 97 D 8.49 4.87 0.00 2.68 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.41 3.84 0.00 1.70 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 2.31 2.35 0.00 99 C 7.93 4.29 0.00 2.99 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 0.00 100 S 8.09 4.19 0.00 3.81 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 0.00 101 S 8.05 4.31 0.00 3.97 4.08 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 0.00 102 G 7.42 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 0.00 0.00 0.00 103 Q 7.59 4.01 0.00 1.90 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.88 0.00 0.00 0.00 0.00 0.00 2.33 2.21 0.00 104 H 7.45 3.96 0.00 2.31 2.37 0.00 5.67 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 Q 8.40 4.70 0.00 2.16 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.93 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 106 C 8.43 4.51 0.00 2.88 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 D 8.44 4.66 0.00 2.77 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 S 8.68 4.26 0.00 3.98 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 0.00 109 S 7.92 3.68 0.00 4.09 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 0.00 110 T 7.93 4.77 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 1.17 0.00 0.00 111 V 8.64 4.38 1.99 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 0.70 0.00 0.00 0.89 0.00 0.00 112 C 8.77 4.79 0.00 2.56 2.84 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 0.00 113 F 9.54 5.02 0.00 3.02 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 0.00 114 N 8.71 4.68 0.00 2.87 2.54 0.00 0.00 6.67 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 0.00 115 T 8.30 4.31 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 116 V 8.09 3.69 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 0.85 0.00 0.00 0.91 0.00 0.00 117 G 10.54 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 0.00 118 S 7.11 4.37 0.00 3.75 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 Y 7.59 4.99 0.00 2.90 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 0.00 120 S 9.11 4.65 0.00 3.93 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 0.00 121 C 8.97 5.53 0.00 2.99 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 R 8.71 5.62 0.00 1.68 1.74 0.00 2.99 0.00 0.00 3.11 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.46 0.00 123 C 9.00 4.53 0.00 2.90 3.24 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 0.00 124 R 7.79 4.40 0.00 1.56 1.77 0.00 2.21 0.00 0.00 2.63 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.23 0.00 125 P 0.00 4.70 0.00 2.18 2.11 0.00 3.72 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 126 G 7.71 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 0.00 0.00 0.00 127 W 8.42 4.55 0.00 3.08 3.23 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 0.00 128 K 8.48 4.85 0.00 1.73 1.68 0.00 1.62 0.00 0.00 1.85 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.51 7.81 129 P 0.00 4.86 0.00 1.97 2.01 0.00 3.71 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.15 0.00 130 R 9.07 4.42 0.00 1.93 1.85 0.00 3.16 0.00 0.00 3.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.61 0.00 131 H 8.56 4.09 0.00 3.22 3.34 0.00 5.56 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 0.00 132 G 9.20 3.99 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 0.00 0.00 0.00 133 I 7.15 4.50 1.90 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 1.33 0.76 0.93 0.00 0.00 134 P 0.00 4.46 0.00 2.05 1.99 0.00 3.68 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 135 N 8.42 4.57 0.00 2.73 2.69 0.00 0.00 6.52 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 0.00 136 N 8.17 4.12 0.00 2.90 2.88 0.00 0.00 6.95 6.96 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 0.00 137 Q 8.25 4.72 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.01 6.58 0.00 0.00 0.00 0.00 0.00 2.45 2.44 0.00 138 K 8.54 4.02 0.00 1.65 1.79 0.00 1.50 0.00 0.00 1.26 0.00 0.00 2.21 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.80 1.10 7.81 139 D 7.84 4.83 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 0.00 140 T 7.67 3.95 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 1.27 0.00 0.00 141 V 8.25 4.51 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 1.22 0.00 0.00 1.04 0.00 0.00 142 C 9.00 5.71 0.00 3.12 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 0.00 143 E 9.47 4.40 0.00 1.80 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.18 0.00 * Residues marked with a * may have inaccurate shift predictions.