NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3408 8.2649 123.5753 52.4970 19.4845 177.8373 3 Q 4.2293 8.3099 125.5615 54.5322 30.2840 173.4176 4 Q 3.2200 7.0889 116.1825 61.3205 28.3485 175.3799 5 S 3.4376 6.3737 118.7421 59.2320 61.5580 173.7673 6 P 3.8893 0.0000 0.0000 64.7743 31.7458 176.4114 7 Y 3.9275 6.7584 113.3504 58.6086 36.4541 171.9214 8 S 4.4733 7.6614 116.9301 56.7605 62.9144 174.6030 9 A 3.9401 8.7617 129.4471 54.5504 17.6316 177.4498 10 A 3.8847 7.5043 117.0926 55.2143 18.7505 177.5997 11 M 4.7210 8.3226 110.9925 54.7443 33.1495 177.6409 12 A 4.2697 7.8338 119.6704 53.3207 18.9320 179.5491 13 E 4.2119 8.0918 116.3544 58.9532 29.9583 178.9867 14 Q 4.0076 8.1330 119.6745 59.1584 27.9182 177.8421 15 R 4.0889 8.0900 112.7859 58.2299 29.8134 177.0093 16 H 4.9421 9.1527 119.0148 58.5229 30.5717 176.3743 17 E 4.1174 8.1520 119.4538 58.9059 29.2175 178.8366 18 E 4.0872 7.9058 118.8985 58.7378 29.4876 178.8544 19 W 4.3699 7.7606 127.5818 60.5894 30.7742 178.1215 20 L 3.5710 8.0037 118.9215 57.4687 40.8831 179.4431 21 R 3.7908 7.6282 119.0499 59.1593 29.8954 178.4207 22 F 3.9512 7.7267 120.5234 61.2634 39.5397 177.0567 23 V 3.0266 7.3084 118.0605 66.1866 31.1663 177.7605 24 D 4.2361 8.0161 118.4732 56.9063 40.5826 178.5288 25 L 3.7897 7.8357 121.0850 58.0040 42.1191 178.6837 26 L 3.6218 7.5239 120.6210 57.7466 41.7165 178.5444 27 K 3.8477 7.6257 119.0735 59.8908 32.0559 178.3453 28 N 4.2859 8.0089 115.9895 56.1585 38.3729 177.0430 29 A 3.9143 7.9654 122.2325 55.6184 18.4970 179.1844 30 Y 3.9100 8.2913 115.3556 61.5018 37.7263 179.1428 31 Q 4.1892 7.8644 117.5670 57.8888 28.8528 177.3098 32 N 4.8059 7.7362 115.1534 51.9936 39.1190 174.3114 33 D 4.5462 7.8136 118.3520 55.7323 39.1459 174.1862 34 L 4.6463 7.9387 116.6947 54.7244 42.4006 178.5385 35 H 3.9638 7.8117 118.4774 58.3749 28.4564 176.9906 36 L 3.8702 7.3163 122.7755 57.4787 42.0707 177.1778 37 P 4.2887 0.0000 0.0000 65.4928 31.2635 178.0196 38 L 3.9391 7.7703 120.2153 58.0812 42.0804 178.8627 39 L 4.2624 8.3270 118.7711 57.2351 41.3262 178.9041 40 N 4.4852 7.7699 115.7688 55.5009 38.6320 176.8925 41 L 4.1406 7.7700 121.3546 58.3869 42.3693 178.5067 42 M 4.2624 8.4355 117.8058 56.3288 32.2375 176.5090 43 L 4.8474 7.1363 117.4658 53.0834 44.5454 176.5503 44 T 4.4305 8.7137 112.1578 60.1330 71.7324 174.2208 45 P 4.2524 0.0000 0.0000 65.8642 31.3196 178.4713 46 D 4.3580 8.0448 116.2928 57.3291 41.1806 178.0479 47 E 4.0002 7.9338 118.1752 59.3211 29.4705 179.4162 48 R 3.9580 7.8457 117.6207 59.3206 30.1564 178.9476 49 E 3.9338 8.1182 117.7058 59.4570 29.4761 179.1237 50 A 4.0211 8.0577 120.6819 55.4488 18.2484 179.7427 51 L 4.0985 8.1794 117.4329 57.5395 41.3959 179.9932 52 G 3.6158 8.0559 105.9066 48.2792 0.0000 175.8949 53 T 3.9196 7.8985 118.8939 66.2721 68.3510 176.9878 54 R 3.9829 8.2668 120.0662 59.2630 29.9976 179.5363 55 V 3.6489 7.6821 112.2335 64.3636 31.4644 178.7855 56 R 4.0831 7.7327 117.6711 59.3001 29.9387 179.0476 57 I 3.6693 7.7911 119.4210 64.4812 37.2511 178.5742 58 V 3.5871 7.9601 119.0193 65.9375 31.2492 177.4603 59 E 3.8749 8.5175 119.2818 59.6155 29.4684 178.7184 60 E 3.9470 8.4011 118.5388 59.3226 29.2290 179.5425 61 L 3.9881 7.8519 118.4404 57.7243 41.7732 179.1699 62 L 4.1264 7.5668 117.4505 57.7246 41.0613 179.0488 63 R 4.0462 8.4099 119.1009 57.6738 29.7993 177.3581 64 G 4.1655 7.9470 105.1442 46.5395 0.0000 173.3215 65 E 4.4184 7.6006 119.3915 55.8927 30.2586 175.3525 66 M 4.8470 7.4788 114.0584 52.9096 34.5253 175.4165 67 S 4.3678 8.5521 115.6888 58.5413 65.3086 175.3933 68 Q 4.0715 8.4907 120.6168 58.9056 28.3189 179.0674 69 R 3.9903 7.9237 118.9674 58.9776 30.0647 178.7679 70 E 3.9602 7.8752 118.7566 59.2273 29.5152 178.7530 71 L 3.9084 7.8028 120.4207 58.3222 42.0755 178.9621 72 K 3.9186 8.1505 119.2239 59.6304 31.8749 178.4885 73 N 4.3867 7.8793 116.9508 55.8977 38.3010 177.0539 74 E 3.9959 8.1484 119.9865 59.2959 29.9438 178.4656 75 L 4.3215 8.0143 116.2189 54.4921 42.0119 177.2197 76 G 3.7656 7.4469 105.1072 46.4805 0.0000 173.6784 77 A 4.5247 7.7398 122.0587 50.1237 20.7743 178.0020 78 G 3.9852 8.0848 108.1186 44.6897 0.0000 175.0804 79 I 3.8289 8.1877 119.0289 63.4828 37.9848 177.7913 80 A 4.0229 8.0665 121.5570 55.6779 17.9168 179.5762 81 T 3.9159 7.6472 112.5863 66.5433 68.4376 177.1585 82 I 3.8125 7.5505 121.5672 64.4798 37.3306 178.1793 83 T 3.8811 7.9508 116.6114 66.7357 68.2751 176.7249 84 R 4.0492 8.1712 120.0134 59.2143 30.0070 179.3985 85 G 3.5734 7.7499 105.3212 47.7181 0.0000 175.5517 86 S 4.0987 8.5976 116.2028 61.3919 62.3046 176.1676 87 N 4.4005 8.6428 119.3891 56.3902 38.0143 177.7065 88 S 4.1472 7.9490 115.9251 61.4384 63.1898 176.1574 89 L 4.1265 8.2753 123.3783 57.9738 41.5714 179.1148 90 K 3.9790 7.7096 117.2107 59.1627 32.0918 178.4490 91 A 4.2407 7.5706 118.6041 52.2471 19.1423 177.6874 92 A 4.1375 7.1476 120.4951 51.2247 19.3515 176.4772 93 P 4.4642 0.0000 0.0000 62.0093 33.4598 177.9048 94 V 3.6162 8.4626 120.2588 66.5653 31.3220 178.1742 95 E 3.9912 8.2442 117.4226 59.4530 29.2899 179.1054 96 L 4.0501 7.8730 119.5162 58.3008 42.3330 178.8378 97 R 4.0101 8.1067 118.2782 59.5089 29.8445 179.0963 98 Q 4.2672 8.1817 115.9895 58.7187 28.9789 177.9205 99 W 4.2818 8.3491 130.6486 60.2149 30.6642 177.9291 100 L 3.6022 8.5749 119.4527 57.7777 40.9517 179.0819 101 E 4.0382 8.0025 115.9633 58.3806 29.5531 177.9237 102 E 4.2603 7.8587 118.8621 57.9920 30.1168 178.4218 103 V 3.3357 6.7912 112.0479 64.5553 31.7538 177.9022 104 L 4.2455 7.6598 116.8987 55.9520 42.6522 177.4098 105 L 4.5517 7.0270 121.7069 55.0744 42.0053 177.3151 *106 K 4.1215 8.7871 129.3495 55.8287 32.3453 174.2276 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 2 A 8.26 4.34 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Q 8.31 4.23 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.72 0.00 0.00 0.00 0.00 0.00 2.23 2.37 0.00 4 Q 7.09 3.22 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.14 0.00 0.00 0.00 0.00 0.00 2.19 2.30 0.00 5 S 6.37 3.44 0.00 3.44 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 P 0.00 3.89 0.00 2.09 2.08 0.00 3.79 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.92 0.00 7 Y 6.76 3.93 0.00 3.09 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 8 S 7.66 4.47 0.00 4.01 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 9 A 8.76 3.94 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 A 7.50 3.88 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 11 M 8.32 4.72 0.00 2.07 1.96 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.49 0.00 12 A 7.83 4.27 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.09 4.21 0.00 2.07 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 2.33 2.30 0.00 14 Q 8.13 4.01 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.93 0.00 0.00 0.00 0.00 0.00 2.45 2.37 0.00 15 R 8.09 4.09 0.00 2.05 2.20 0.00 2.99 0.00 0.00 3.28 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.64 0.00 16 H 9.15 4.94 0.00 3.21 3.48 0.00 5.60 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 17 E 8.15 4.12 0.00 2.14 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 2.43 2.48 0.00 18 E 7.91 4.09 0.00 2.30 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 2.68 0.00 19 W 7.76 4.37 0.00 3.48 3.33 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 20 L 8.00 3.57 0.00 1.82 1.59 0.91 0.65 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 21 R 7.63 3.79 0.00 2.02 1.99 0.00 3.10 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 22 F 7.73 3.95 0.00 3.11 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 23 V 7.31 3.03 1.78 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 0.77 0.00 0.00 0.02 0.00 0.00 24 D 8.02 4.24 0.00 2.89 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.84 3.79 0.00 1.72 1.56 0.87 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 26 L 7.52 3.62 0.00 0.94 1.32 0.69 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 27 K 7.63 3.85 0.00 1.90 1.91 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.47 7.81 28 N 8.01 4.29 0.00 3.00 2.81 0.00 0.00 6.97 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 A 7.97 3.91 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 30 Y 8.29 3.91 0.00 3.10 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 31 Q 7.86 4.19 0.00 2.13 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.91 0.00 0.00 0.00 0.00 0.00 2.42 2.65 0.00 32 N 7.74 4.81 0.00 2.67 2.81 0.00 0.00 7.02 8.22 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 33 D 7.81 4.55 0.00 2.86 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 34 L 7.94 4.65 0.00 1.60 1.55 0.89 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 35 H 7.81 3.96 0.00 2.57 2.61 0.00 5.66 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 36 L 7.32 3.87 0.00 1.60 1.62 0.95 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.29 0.00 2.27 2.26 0.00 3.63 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.97 0.00 38 L 7.77 3.94 0.00 1.86 1.80 0.93 0.40 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 39 L 8.33 4.26 0.00 1.78 1.76 0.99 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 40 N 7.77 4.49 0.00 2.90 2.88 0.00 0.00 6.94 7.38 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 41 L 7.77 4.14 0.00 1.63 1.95 0.93 0.89 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 42 M 8.44 4.26 0.00 2.07 2.31 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.94 2.97 0.00 43 L 7.14 4.85 0.00 1.77 1.58 0.99 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 44 T 8.71 4.43 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 45 P 0.00 4.25 0.00 2.18 2.15 0.00 3.60 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 2.12 2.15 0.00 46 D 8.04 4.36 0.00 2.79 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 47 E 7.93 4.00 0.00 2.24 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 0.00 2.32 2.35 0.00 48 R 7.85 3.96 0.00 2.04 2.01 0.00 3.16 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.90 0.00 49 E 8.12 3.93 0.00 2.20 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 2.34 2.48 0.00 50 A 8.06 4.02 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 51 L 8.18 4.10 0.00 2.04 1.79 1.01 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 52 G 8.06 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 T 7.90 3.92 4.40 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 1.22 0.00 0.00 54 R 8.27 3.98 0.00 1.88 2.00 0.00 3.15 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 2.02 0.00 55 V 7.68 3.65 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 1.04 0.00 0.00 56 R 7.73 4.08 0.00 1.99 1.98 0.00 3.30 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 57 I 7.79 3.67 2.04 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 1.41 0.85 0.92 0.00 0.00 58 V 7.96 3.59 2.18 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 1.02 0.00 0.00 1.00 0.00 0.00 59 E 8.52 3.87 0.00 2.02 2.20 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 2.33 0.00 60 E 8.40 3.95 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 2.50 2.50 0.00 61 L 7.85 3.99 0.00 1.83 1.73 0.93 0.88 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 62 L 7.57 4.13 0.00 1.81 1.72 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 63 R 8.41 4.05 0.00 2.04 2.12 0.00 3.22 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 64 G 7.95 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 0.00 0.00 0.00 65 E 7.60 4.42 0.00 2.12 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 2.25 2.22 0.00 66 M 7.48 4.85 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 67 S 8.55 4.37 0.00 4.07 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 Q 8.49 4.07 0.00 2.12 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.94 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 69 R 7.92 3.99 0.00 1.89 1.97 0.00 3.17 0.00 0.00 3.34 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.78 0.00 70 E 7.88 3.96 0.00 2.16 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 0.00 2.33 2.31 0.00 71 L 7.80 3.91 0.00 1.90 1.77 0.92 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 72 K 8.15 3.92 0.00 1.88 2.10 0.00 1.68 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.70 7.81 73 N 7.88 4.39 0.00 2.88 2.84 0.00 0.00 6.61 7.52 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 74 E 8.15 4.00 0.00 2.16 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 2.32 2.35 0.00 75 L 8.01 4.32 0.00 1.74 1.70 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 76 G 7.45 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 77 A 7.74 4.52 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 G 8.08 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 79 I 8.19 3.83 1.87 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 1.57 1.20 0.91 0.00 0.00 80 A 8.07 4.02 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 81 T 7.65 3.92 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 1.22 0.00 0.00 82 I 7.55 3.81 1.99 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 1.64 0.52 0.97 0.00 0.00 83 T 7.95 3.88 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 1.21 0.00 0.00 84 R 8.17 4.05 0.00 2.03 1.98 0.00 3.13 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 85 G 7.75 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 S 8.60 4.10 0.00 3.93 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 87 N 8.64 4.40 0.00 2.81 2.85 0.00 0.00 7.12 7.60 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 88 S 7.95 4.15 0.00 4.05 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 89 L 8.28 4.13 0.00 2.00 1.76 0.95 0.80 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 90 K 7.71 3.98 0.00 2.04 1.87 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.69 7.81 91 A 7.57 4.24 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 A 7.15 4.14 1.34 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 0.00 0.00 93 P 0.00 4.46 0.00 2.20 2.04 0.00 3.66 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 2.12 2.15 0.00 94 V 8.46 3.62 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.95 0.00 0.00 95 E 8.24 3.99 0.00 2.10 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 2.40 2.45 0.00 96 L 7.87 4.05 0.00 1.79 1.87 1.05 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 97 R 8.11 4.01 0.00 2.09 2.01 0.00 3.20 0.00 0.00 3.50 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.81 0.00 98 Q 8.18 4.27 0.00 2.25 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.98 0.00 0.00 0.00 0.00 0.00 2.72 2.45 0.00 99 W 8.35 4.28 0.00 3.47 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 0.00 100 L 8.57 3.60 0.00 1.92 1.67 1.03 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 101 E 8.00 4.04 0.00 2.08 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 2.33 2.55 0.00 102 E 7.86 4.26 0.00 1.90 1.79 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 2.21 2.55 0.00 103 V 6.79 3.34 1.68 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 -0.14 0.00 0.00 -0.02 0.00 0.00 104 L 7.66 4.25 0.00 1.74 1.63 0.88 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.03 4.55 0.00 1.66 0.95 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 *106 K 8.79 4.12 0.00 1.52 1.62 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.