NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *8 N 4.7319 8.4244 117.7897 52.1946 40.0679 174.1924 9 D 4.3354 8.4029 118.8380 57.3418 41.5195 176.9371 10 T 4.1353 8.2086 115.8399 66.7604 68.7293 175.7824 11 R 3.7592 7.8430 120.2245 59.0952 30.1859 177.8503 12 E 3.9948 8.5727 119.5901 59.0020 29.6155 178.6977 13 Q 4.0262 8.0074 117.6556 58.4652 28.6167 178.1906 14 A 3.5635 7.3472 121.3250 54.7127 18.4571 178.8155 15 N 4.3618 7.9665 115.7215 56.9647 39.1351 177.4320 16 G 3.8398 8.2659 106.7758 47.5455 0.0000 174.8865 17 E 4.7164 8.0406 123.0750 58.7868 29.2642 178.7083 18 R 3.6619 7.3338 118.0192 58.5321 30.2759 177.5011 19 W 4.9616 7.9265 116.5718 56.5192 29.5533 177.4654 20 D 4.5413 8.3220 120.5690 54.9673 39.8350 178.6650 21 G 4.0380 6.9768 104.7373 45.2045 0.0000 174.1975 22 G 3.9083 7.5906 112.0160 43.3916 0.0000 168.5576 23 S 3.8454 8.4404 125.9690 58.3982 63.1884 172.5198 24 G 4.1043 8.4705 108.3950 44.8550 0.0000 173.4142 25 G 4.0110 8.4899 108.3096 45.1478 0.0000 173.6676 26 I 4.1820 7.3856 119.4171 59.9716 38.9142 175.2059 27 T 3.9842 8.5665 124.6278 63.6467 68.6734 173.6864 28 S 4.4227 8.3161 120.7075 55.4344 65.1991 172.1241 29 P 4.2434 0.0000 0.0000 64.4369 31.5307 176.4804 30 F 5.0734 7.5688 117.9814 56.7086 39.8826 175.7188 31 K 4.6407 9.3980 121.9330 56.0558 33.2827 176.2946 32 L 4.8849 7.7476 118.5198 51.8377 44.6255 174.6265 33 P 4.3541 0.0000 0.0000 62.1450 31.9325 175.9515 34 D 4.4399 8.3545 121.0056 55.1490 41.5103 175.8807 35 E 4.7910 8.5190 120.0283 56.0232 31.3285 176.1385 36 S 3.9684 9.2623 116.2507 58.2937 63.3807 172.8208 37 P 4.7949 0.0000 0.0000 61.0579 32.4749 176.7375 38 S 4.3748 8.3979 115.1474 58.1247 64.9820 175.0800 39 W 4.4350 8.8576 131.8684 61.0976 30.3815 178.4435 40 T 3.7001 7.9437 115.3798 66.5464 67.5415 176.2546 41 E 4.0402 8.4368 121.3334 58.6507 29.5124 178.7678 42 W 4.2318 8.6199 128.8870 60.5860 30.6839 178.0539 43 R 3.7485 8.1199 116.6371 59.1854 29.4196 178.3567 44 L 4.0321 7.7807 119.7562 58.5198 42.0639 178.5337 45 Y 4.1773 8.0912 119.2766 60.3235 38.5421 176.3636 46 N 4.6350 7.8760 116.6523 53.3363 39.5636 175.5692 47 D 4.4686 7.0848 116.7500 52.5855 44.5552 175.4109 48 E 3.4162 8.0091 121.4732 55.1807 29.4672 173.2498 *55 N 4.5946 8.2095 117.4696 52.6203 40.4492 173.3185 56 P 4.9733 0.0000 0.0000 61.6089 33.9149 176.7637 57 L 3.9561 8.9505 121.1052 58.0393 42.9119 175.2847 58 G 4.7125 8.0983 106.4955 46.9901 0.0000 172.1457 59 F 5.1590 7.2966 117.8284 55.3796 42.2826 173.4514 60 K 5.0568 8.6808 119.1511 54.5305 34.9398 174.5838 61 E 5.2717 8.9172 124.1682 54.9911 33.8873 174.3722 62 S 5.2141 8.1129 112.7881 57.2475 66.8201 173.3819 63 W 4.9500 9.2947 122.2840 54.8373 32.2467 174.8087 64 G 4.2195 8.9151 110.6517 44.3813 0.0000 171.6646 65 F 5.1413 8.5470 121.9281 55.2778 41.5714 175.3808 66 G 3.8852 8.7539 116.8511 46.8266 0.0000 173.3259 67 K 4.2448 8.6796 124.4196 56.5414 33.0240 177.6272 68 V 3.6552 7.5788 121.8561 61.7319 29.9359 173.4384 69 V 4.6692 7.5801 124.3929 60.7697 33.1735 174.9473 70 F 5.0845 9.6133 125.6941 55.9633 42.1865 174.5382 71 K 5.1849 8.4574 118.9552 55.6429 36.6078 175.4374 72 R 4.4940 8.2045 118.5156 55.3529 35.3269 173.7467 73 Y 4.6461 8.2438 120.9147 55.8346 41.9557 174.0222 74 L 4.9192 7.1255 126.0688 52.4546 45.3609 176.3044 75 R 4.5810 8.4792 121.7287 56.6262 30.8974 175.7924 76 Y 5.0583 9.2074 124.4594 56.4251 42.0229 174.8372 77 D 4.6923 8.2549 123.6698 52.6798 40.5960 176.2808 78 R 3.6281 6.5688 116.8435 58.9684 26.7490 176.2442 79 T 4.6622 7.3375 107.1596 59.4104 72.5826 173.1093 80 E 3.9240 8.8806 123.2009 59.7541 29.4806 179.1435 81 A 4.0131 8.0282 119.8547 55.5078 18.4515 179.4425 82 S 4.1341 8.0915 111.4530 61.3508 62.4730 176.0253 83 L 4.0594 8.6180 123.6321 58.5556 41.6382 178.5344 84 H 4.2503 8.3303 117.2669 59.3109 29.9713 176.7612 85 R 3.8941 8.0234 120.8011 59.5414 29.9908 178.8783 86 V 3.7306 8.3702 112.3352 64.2554 31.4705 178.2898 87 L 4.1429 7.7999 117.4159 56.2590 41.5727 178.3276 88 G 3.8503 8.1282 105.8273 44.5337 0.0000 175.3537 89 S 4.4130 7.8175 117.6070 60.2804 62.7079 173.9794 90 W 5.2197 6.8605 116.8550 54.6935 30.8962 173.6782 91 T 4.7213 9.1208 110.5650 58.9727 72.8300 175.1595 92 G 3.7385 8.5867 106.8307 48.1272 0.0000 175.4213 93 D 4.3301 8.0248 121.0305 57.1743 41.0277 178.7125 94 S 4.1350 8.0810 114.6915 61.5539 62.7634 176.8454 95 V 3.0328 7.8280 121.5379 65.6013 31.2279 177.7617 96 N 4.1194 8.0444 116.2421 56.4787 38.5196 176.4973 97 Y 4.1760 8.2285 120.8811 60.8863 38.6923 177.8809 98 A 3.5353 7.5293 120.5737 55.0827 18.4958 179.1925 99 A 3.0243 7.3992 119.4334 54.6257 18.4821 179.6477 100 S 3.9484 7.7363 112.9121 61.8397 62.5612 176.7715 101 R 3.7987 6.5398 115.3143 56.6279 29.4274 177.1309 102 F 4.9493 7.9080 115.1385 57.4254 42.7034 176.5780 103 L 3.7366 7.5229 121.0332 58.7345 40.6706 178.8763 104 G 3.8038 8.2671 107.4885 43.5107 0.0000 175.2977 105 A 3.9247 7.9568 119.6865 52.5200 17.8225 176.9747 106 N 5.0481 8.0218 113.1916 51.1408 41.5723 173.8383 107 Q 4.1841 8.5052 124.3256 56.2325 30.0501 175.6316 108 V 4.5724 9.2293 118.0316 59.2755 36.5293 175.2984 109 G 4.1289 8.6365 110.2549 46.2461 0.0000 173.2064 110 C 5.2111 9.1669 125.2915 59.5033 30.4616 172.9539 111 T 4.9010 8.4684 114.2176 63.2907 73.3943 172.2835 112 Y 4.4318 8.2959 124.5912 55.9953 42.4107 174.1035 113 S 5.3114 7.5160 120.8897 55.8637 67.7804 172.8123 114 I 4.9765 7.7567 121.4507 59.5953 41.4520 173.3105 115 R 5.1326 8.9945 128.0478 54.6333 33.5855 173.7515 116 F 5.1396 9.1555 127.9601 57.3048 43.1232 174.4187 117 R 3.8288 9.1457 125.6895 57.3519 27.1293 177.3882 118 G 3.9614 8.2511 104.0295 45.3488 0.0000 173.1812 119 V 4.3980 7.4481 120.0776 61.0549 33.7054 174.2333 120 S 5.3270 8.7124 121.9794 56.4404 65.0591 172.9347 121 V 4.4663 8.7042 126.1781 61.3524 34.2767 174.1306 122 T 5.0113 8.5249 123.5927 61.8380 71.5905 173.1797 123 I 4.3703 9.0477 128.1416 59.9315 38.9638 174.7850 124 S 5.2093 8.4265 123.4459 56.8154 65.1653 173.8603 125 G 4.1581 8.5571 108.9456 45.3470 0.0000 173.0790 126 G 4.2014 8.6284 109.9452 44.8153 0.0000 175.1025 127 S 3.9311 8.9209 121.2495 62.3522 63.2104 178.1839 128 R 3.9733 9.0158 118.3610 59.2669 29.3513 180.4435 129 T 4.4758 8.7203 108.0135 61.7282 69.1132 176.0778 130 L 4.0220 7.9017 125.5907 59.0071 41.8751 178.8882 131 Q 4.0208 8.0112 118.8794 59.2336 29.0242 177.5536 132 H 4.5248 8.3888 117.4257 58.4894 28.8471 177.3912 133 L 4.0934 8.1503 120.4480 58.4414 41.4919 179.3394 134 C 4.6889 8.2462 115.8998 62.7856 27.9742 176.1862 135 E 4.0050 7.9043 118.8847 59.7503 29.1582 179.2384 136 M 4.0833 8.5766 118.8814 58.3438 31.9742 178.5615 137 A 4.0596 8.6486 121.2471 55.4001 18.4109 179.5888 138 I 3.6376 8.0662 117.0441 64.1128 38.0114 178.4220 139 R 3.8983 7.9199 118.6987 59.3320 29.8461 179.0944 140 S 4.1519 8.5744 115.3991 61.3743 62.8100 176.6310 141 K 3.8494 8.3500 122.3340 59.6580 31.7825 178.4220 142 Q 3.8453 7.9015 116.9505 59.2426 29.0195 178.8448 143 E 4.0809 8.2019 118.9268 59.5588 29.4780 179.0629 144 L 4.0249 8.1314 120.3463 58.4303 41.9092 178.6043 145 L 4.0966 7.6117 115.8359 55.8845 41.5580 178.0080 146 Q 4.6846 7.9555 117.6130 54.6105 29.6774 175.2941 147 L 4.2919 7.3877 121.0392 54.7600 42.3319 176.4772 148 T 4.6466 8.1530 116.2847 59.2901 70.2518 171.8029 149 P 4.4313 0.0000 0.0000 63.1780 31.3207 176.0388 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 *8 N 8.42 4.73 0.00 2.48 2.66 0.00 0.00 6.65 7.17 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 9 D 8.40 4.34 0.00 2.87 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 10 T 8.21 4.14 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 1.41 0.00 0.00 11 R 7.84 3.76 0.00 1.80 2.02 0.00 3.12 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 1.61 1.84 0.00 12 E 8.57 3.99 0.00 2.05 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 2.30 2.39 0.00 13 Q 8.01 4.03 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.70 0.00 0.00 0.00 0.00 0.00 2.47 2.58 0.00 14 A 7.35 3.56 0.49 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 0.00 0.00 15 N 7.97 4.36 0.00 2.73 2.97 0.00 0.00 7.13 8.24 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 16 G 8.27 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 0.00 0.00 0.00 17 E 8.04 4.72 0.00 2.28 2.25 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 2.46 2.64 0.00 18 R 7.33 3.66 0.00 1.33 1.00 0.00 2.80 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 0.50 1.13 0.00 19 W 7.93 4.96 0.00 3.39 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 20 D 8.32 4.54 0.00 2.90 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 21 G 6.98 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 0.00 0.00 0.00 22 G 7.59 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 23 S 8.44 3.85 0.00 4.07 3.92 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 24 G 8.47 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 25 G 8.49 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 0.00 0.00 0.00 26 I 7.39 4.18 1.98 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.12 1.07 0.00 0.00 27 T 8.57 3.98 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 0.60 0.00 0.00 28 S 8.32 4.42 0.00 4.03 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 29 P 0.00 4.24 0.00 1.28 1.77 0.00 2.47 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.25 0.00 30 F 7.57 5.07 0.00 3.17 3.06 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 31 K 9.40 4.64 0.00 1.76 1.88 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.48 7.81 32 L 7.75 4.88 0.00 1.65 1.56 0.96 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 33 P 0.00 4.35 0.00 2.05 2.01 0.00 3.72 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 34 D 8.35 4.44 0.00 2.35 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 35 E 8.52 4.79 0.00 2.12 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 0.00 2.25 2.44 0.00 36 S 9.26 3.97 0.00 4.05 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.79 0.00 2.27 2.05 0.00 2.85 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.89 0.00 38 S 8.40 4.37 0.00 4.14 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 39 W 8.86 4.44 0.00 3.28 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 40 T 7.94 3.70 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 1.15 0.00 0.00 41 E 8.44 4.04 0.00 2.08 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 0.00 2.37 2.36 0.00 42 W 8.62 4.23 0.00 3.56 3.55 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 R 8.12 3.75 0.00 1.69 1.87 0.00 2.85 0.00 0.00 2.74 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.75 0.00 44 L 7.78 4.03 0.00 1.87 1.89 0.90 0.87 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 45 Y 8.09 4.18 0.00 3.16 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 46 N 7.88 4.63 0.00 2.16 2.38 0.00 0.00 6.81 8.54 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 47 D 7.08 4.47 0.00 2.77 2.53 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 0.00 0.00 0.00 0.00 48 E 8.01 3.42 0.00 1.94 1.80 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 2.01 2.20 0.00 *55 N 8.21 4.59 0.00 2.70 2.68 0.00 0.00 7.01 7.69 0.00 0.00 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 P 0.00 4.97 0.00 2.50 2.17 0.00 3.93 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 1.79 0.00 57 L 8.95 3.96 0.00 1.55 1.94 0.63 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 58 G 8.10 4.71 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 59 F 7.30 5.16 0.00 3.29 3.02 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 60 K 8.68 5.06 0.00 1.97 1.71 0.00 1.67 0.00 0.00 1.75 0.00 0.00 2.86 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.30 1.53 7.81 61 E 8.92 5.27 0.00 2.12 2.24 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 2.30 2.31 0.00 62 S 8.11 5.21 0.00 4.05 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 63 W 9.29 4.95 0.00 2.91 2.40 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 64 G 8.92 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 0.00 0.00 0.00 0.00 65 F 8.55 5.14 0.00 3.11 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 66 G 8.75 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 67 K 8.68 4.24 0.00 1.83 1.89 0.00 1.55 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.34 1.38 7.81 68 V 7.58 3.66 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 0.10 0.00 0.00 0.77 0.00 0.00 69 V 7.58 4.67 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 0.89 0.00 0.00 0.84 0.00 0.00 70 F 9.61 5.08 0.00 3.18 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 71 K 8.46 5.18 0.00 1.44 1.55 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.43 7.81 72 R 8.20 4.49 0.00 0.98 1.31 0.00 2.93 0.00 0.00 2.76 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.50 0.00 73 Y 8.24 4.65 0.00 3.06 2.66 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 0.00 0.00 0.00 74 L 7.13 4.92 0.00 0.73 1.26 0.88 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 75 R 8.48 4.58 0.00 1.74 1.91 0.00 3.32 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.76 0.00 76 Y 9.21 5.06 0.00 3.10 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 77 D 8.25 4.69 0.00 2.80 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 R 6.57 3.63 0.00 1.85 2.15 0.00 3.32 0.00 0.00 2.25 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.22 0.00 79 T 7.34 4.66 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 1.25 0.00 0.00 80 E 8.88 3.92 0.00 2.04 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 2.41 2.36 0.00 81 A 8.03 4.01 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 82 S 8.09 4.13 0.00 4.00 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 83 L 8.62 4.06 0.00 1.97 1.92 0.79 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 84 H 8.33 4.25 0.00 3.28 3.51 0.00 6.01 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 85 R 8.02 3.89 0.00 2.06 2.09 0.00 3.18 0.00 0.00 3.20 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 86 V 8.37 3.73 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 0.98 0.00 0.00 0.93 0.00 0.00 87 L 7.80 4.14 0.00 1.81 1.59 0.89 0.71 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 88 G 8.13 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 89 S 7.82 4.41 0.00 4.37 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 W 6.86 5.22 0.00 3.36 3.09 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 91 T 9.12 4.72 4.21 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 1.15 0.00 0.00 92 G 8.59 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 93 D 8.02 4.33 0.00 2.69 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 94 S 8.08 4.13 0.00 4.10 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 0.00 95 V 7.83 3.03 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 -0.03 0.00 0.00 0.10 0.00 0.00 96 N 8.04 4.12 0.00 2.81 2.79 0.00 0.00 6.73 7.05 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 97 Y 8.23 4.18 0.00 2.89 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 98 A 7.53 3.54 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 0.00 0.00 0.00 0.00 0.00 99 A 7.40 3.02 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.74 3.95 0.00 3.99 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 0.00 101 R 6.54 3.80 0.00 0.67 1.15 0.00 3.29 0.00 0.00 3.22 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.24 0.00 102 F 7.91 4.95 0.00 3.02 3.03 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 0.00 103 L 7.52 3.74 0.00 1.76 1.70 0.93 0.46 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 0.00 104 G 8.27 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 0.00 0.00 0.00 105 A 7.96 3.92 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 0.00 106 N 8.02 5.05 0.00 2.71 2.69 0.00 0.00 7.11 6.88 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 0.00 107 Q 8.51 4.18 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.56 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 108 V 9.23 4.57 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 0.88 0.00 0.00 1.03 0.00 0.00 109 G 8.64 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 0.00 0.00 0.00 110 C 9.17 5.21 0.00 3.16 3.13 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 0.00 111 T 8.47 4.90 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 1.12 0.00 0.00 112 Y 8.30 4.43 0.00 1.43 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 0.00 0.00 0.00 113 S 7.52 5.31 0.00 3.49 3.45 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 0.00 114 I 7.76 4.98 1.64 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 1.15 1.73 0.94 0.00 0.00 115 R 8.99 5.13 0.00 1.91 1.78 0.00 3.17 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 116 F 9.16 5.14 0.00 3.05 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 0.00 117 R 9.15 3.83 0.00 1.58 1.75 0.00 2.97 0.00 0.00 3.05 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.50 0.00 118 G 8.25 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 0.00 119 V 7.45 4.40 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 0.94 0.00 0.00 0.99 0.00 0.00 120 S 8.71 5.33 0.00 3.87 3.68 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 0.00 121 V 8.70 4.47 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 0.94 0.00 0.00 0.94 0.00 0.00 122 T 8.52 5.01 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 1.12 0.00 0.00 123 I 9.05 4.37 1.86 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.95 1.00 0.00 0.00 124 S 8.43 5.21 0.00 3.72 3.76 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 0.00 125 G 8.56 4.16 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 0.00 0.00 0.00 126 G 8.63 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 0.00 0.00 0.00 127 S 8.92 3.93 0.00 3.94 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 0.00 128 R 9.02 3.97 0.00 1.78 1.86 0.00 3.26 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.45 0.00 129 T 8.72 4.48 4.33 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 1.26 0.00 0.00 130 L 7.90 4.02 0.00 1.95 1.78 1.05 0.31 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 0.00 131 Q 8.01 4.02 0.00 2.16 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.71 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 132 H 8.39 4.52 0.00 3.41 3.33 0.00 5.69 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 0.00 133 L 8.15 4.09 0.00 2.06 1.93 1.11 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 134 C 8.25 4.69 0.00 3.30 3.27 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 0.00 135 E 7.90 4.00 0.00 2.32 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 2.37 2.40 0.00 136 M 8.58 4.08 0.00 2.03 2.17 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.74 0.00 137 A 8.65 4.06 0.99 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 0.00 138 I 8.07 3.64 1.84 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.29 0.96 0.00 0.00 139 R 7.92 3.90 0.00 2.06 1.97 0.00 3.21 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 140 S 8.57 4.15 0.00 4.06 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 0.00 141 K 8.35 3.85 0.00 2.10 2.00 0.00 2.03 0.00 0.00 1.56 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.25 1.33 7.81 142 Q 7.90 3.85 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.70 0.00 0.00 0.00 0.00 0.00 2.33 2.47 0.00 143 E 8.20 4.08 0.00 2.02 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 0.00 2.33 2.60 0.00 144 L 8.13 4.02 0.00 1.80 1.69 1.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 145 L 7.61 4.10 0.00 1.31 0.92 -0.14 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 146 Q 7.96 4.68 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.85 0.00 0.00 0.00 0.00 0.00 2.35 2.54 0.00 147 L 7.39 4.29 0.00 1.81 1.65 0.96 0.88 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 0.00 148 T 8.15 4.65 4.29 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 1.24 0.00 0.00 149 P 0.00 4.43 0.00 2.08 1.97 0.00 3.78 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 * Residues marked with a * may have inaccurate shift predictions.