NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.4808 8.0385 120.5942 54.5355 43.9641 176.1158 3 A 4.5883 8.6880 125.5436 49.5417 19.1776 174.0508 4 E 4.3794 8.7164 118.9016 58.0895 30.8516 176.0291 5 G 3.9984 9.7874 110.0658 45.4641 0.0000 174.0354 6 T 4.1229 7.7089 116.8864 64.2624 69.5261 173.6376 7 R 4.8919 9.6322 126.7175 55.6560 32.0388 175.6557 8 I 4.8603 9.1073 124.3488 59.4624 40.3367 174.3223 9 F 5.0354 9.0428 129.8603 57.6296 41.1709 173.6122 10 D 5.3350 8.4965 126.3383 51.1716 41.7386 175.1754 11 P 4.0057 0.0000 0.0000 64.6961 31.7610 177.7193 12 V 3.7710 7.9168 118.8445 64.4333 31.6435 176.4167 13 T 4.3166 7.9013 107.4198 60.5849 70.4644 175.2090 14 G 4.0229 8.2376 109.6788 45.4364 0.0000 173.0004 15 T 4.4868 7.5343 116.9807 62.6711 70.3637 173.8075 16 T 5.0389 8.4950 122.0750 62.4705 70.3406 173.7624 17 H 5.0099 9.4955 123.5979 54.1961 32.4715 173.5405 18 R 4.8158 8.2529 119.0869 54.9212 31.5274 177.2540 19 I 3.6051 8.6631 124.6025 64.3965 37.8794 177.8427 20 E 2.5400 7.6930 117.5745 59.0012 29.2813 178.7608 21 D 4.2694 8.0072 119.8854 56.8515 40.8688 178.8467 22 V 3.5688 7.4891 118.4617 65.8853 31.6352 178.2090 23 V 3.7454 7.8045 117.9177 66.2989 31.2906 177.7867 24 D 4.5421 8.1324 117.3779 56.4228 40.6772 178.0337 25 G 3.8017 7.5666 102.6946 43.0146 0.0000 173.2884 26 R 2.5100 7.2684 118.6590 56.2272 28.1244 177.1443 27 K 4.0729 7.7319 116.5310 55.7874 33.1574 176.8913 28 P 5.1543 0.0000 0.0000 62.6586 30.0163 175.4446 29 I 4.1364 7.7284 114.1099 62.1782 40.1231 175.4244 30 H 5.3203 9.4605 119.0823 54.2702 32.0421 174.1125 31 V 5.0983 8.5675 112.7989 58.3611 36.7577 175.0263 32 V 4.1485 8.4769 121.3880 62.4568 32.2525 174.4030 33 A 5.2571 9.1227 130.3396 50.1845 22.0201 174.6506 34 A 5.1854 8.8577 122.3082 50.2729 20.9587 177.2838 35 A 4.4589 8.9937 126.0489 50.4807 20.2188 178.0863 36 K 3.8795 8.7668 120.5725 59.7299 32.0049 177.0809 37 D 4.5764 8.1096 114.9651 53.3998 39.7260 177.0110 38 G 3.9894 8.4156 109.4487 45.5092 0.0000 174.1369 39 T 4.3439 8.2652 110.3783 61.2321 69.8495 173.3688 40 L 5.2616 8.4325 123.0996 53.8155 43.6971 175.8476 41 H 4.9709 9.3129 118.7867 53.9712 33.6561 172.4565 42 A 4.7594 8.6571 124.2470 51.9498 19.0329 177.0833 43 R 4.8392 8.7650 121.3804 53.6473 34.6543 173.3298 44 P 4.6814 0.0000 0.0000 62.3860 33.2014 175.2442 45 V 4.0340 8.1560 122.4768 62.9385 31.5572 176.0759 46 V 4.0890 8.4014 119.9277 61.1313 33.7485 175.9429 47 S 4.2671 6.8337 115.5870 56.2690 67.4776 172.8356 48 W 5.0833 8.3654 121.9461 54.8630 32.3993 174.7850 49 F 4.9071 9.2846 122.3874 55.8289 42.2758 173.4960 50 D 4.9786 9.1097 124.2751 53.1997 41.1927 175.4185 51 Q 4.2348 8.4193 124.3553 55.4590 29.5673 177.5442 52 G 3.7532 8.1380 110.4699 44.5807 0.0000 172.5063 53 T 4.5923 8.1012 115.3489 63.3886 69.1387 174.8932 54 R 4.7598 8.9031 124.3434 54.5317 35.6405 173.7454 55 D 5.1896 8.5680 119.6480 54.3837 42.3281 176.3747 56 V 4.9973 9.3959 115.5693 59.6026 36.3673 174.5222 57 I 5.0141 9.1054 116.1712 59.1878 41.2209 174.2767 58 G 2.9957 8.0710 109.6033 43.8197 0.0000 172.2587 59 L 4.6123 8.3035 124.4735 52.5563 44.0611 175.6836 60 R 4.4338 8.6506 126.5234 55.7991 31.1186 175.3345 61 I 4.7552 9.1343 128.4610 59.4086 39.6504 175.2469 62 A 4.1700 8.4777 128.0810 52.9636 17.9520 176.8593 63 G 3.6101 9.9689 112.5721 44.8886 0.0000 174.0392 64 G 3.8622 7.8796 108.4775 45.6230 0.0000 174.5040 65 A 4.1706 8.0497 122.2116 51.9699 19.8147 176.8002 66 I 4.4819 8.2067 121.4873 59.3204 39.9881 174.7126 67 L 4.3225 8.5786 130.8868 53.9667 43.4837 175.2934 68 W 5.3425 8.8490 126.2317 55.2199 31.2270 174.9025 69 A 5.0852 8.8744 125.8479 50.4447 22.9135 175.3385 70 T 4.5172 8.4694 109.0172 60.6852 69.8084 173.7913 71 P 4.2890 0.0000 0.0000 65.6187 31.5041 177.5851 72 D 4.6436 7.9457 114.5860 53.6545 40.2266 175.7892 73 H 4.2768 8.2794 122.3658 56.3465 31.1173 174.2337 74 K 4.9692 8.4211 124.8857 55.9957 33.8128 175.8308 75 V 4.9896 9.0698 124.3310 60.8763 35.1101 174.1023 76 L 3.8217 8.7123 129.7556 54.7367 43.2004 176.0073 77 T 4.9928 8.3383 115.9449 59.2143 71.8386 174.3417 78 E 3.2352 8.1893 118.6175 58.6327 29.2842 177.4239 79 Y 4.8148 7.7630 116.1454 57.5975 38.7968 176.6233 80 G 3.7029 7.8520 108.3320 43.7640 0.0000 172.3498 81 W 4.9335 8.3833 119.6766 56.8900 29.6817 176.3224 82 R 4.9269 9.0209 122.3873 54.1236 34.6848 174.3924 83 A 4.5990 9.4038 124.0750 51.6742 19.1563 178.5623 84 A 4.0154 9.4215 126.1895 55.4585 18.5802 180.2000 85 G 3.7630 8.4470 103.3950 47.7354 0.0000 174.3052 86 E 4.2811 8.3256 118.7768 57.4015 30.0965 176.8735 87 L 4.4656 7.3604 118.5728 54.3126 42.6102 175.7000 88 R 4.6476 8.8897 120.6732 54.0589 33.6566 174.2730 89 K 4.1774 8.4650 119.0935 58.3538 32.3389 175.8814 90 G 4.1577 8.6325 111.0809 45.8595 0.0000 174.2076 91 D 4.5976 8.0043 118.6746 54.2831 42.4028 175.8619 92 R 5.1315 8.7120 119.9971 54.6497 33.0030 175.7097 93 V 4.8541 8.6788 116.2687 59.4106 35.1725 174.7920 94 A 4.1849 8.7984 125.2241 51.7548 19.8096 176.7880 95 Q 4.7924 8.8743 120.6401 53.1375 33.4057 173.0962 96 P 4.8126 0.0000 0.0000 62.7690 32.2440 176.4045 97 R 4.1979 8.7476 121.6506 55.6031 31.2829 176.8334 98 R 3.7401 8.6519 119.5604 57.0386 30.4528 178.1525 99 F 4.6741 8.5461 121.2754 60.1806 39.1209 175.7490 100 D 4.6726 8.2792 118.0980 53.1837 39.6307 177.4321 101 G 3.9530 8.1550 108.3959 46.0423 0.0000 173.6637 102 F 4.4155 8.5377 118.5605 57.7213 39.2756 176.7641 *402 E 4.3906 8.1594 120.9890 55.9342 31.4736 176.9502 403 E 4.6136 7.9869 115.5601 56.1417 31.4262 175.8177 404 L 5.3110 7.8751 118.4841 52.6937 45.2741 175.7961 405 R 4.6170 8.8836 116.8103 54.7393 33.4643 173.2656 406 Y 4.9625 8.4913 117.5079 56.4627 39.9164 175.2585 407 S 4.8349 8.9143 120.5562 56.3265 66.2806 173.9574 408 V 4.1443 8.2508 123.7409 62.9232 33.0532 174.8744 409 I 4.1843 8.7409 128.9967 61.1775 37.4163 176.7918 410 R 3.9843 9.3354 129.5415 59.0115 30.4258 176.2786 411 E 4.7238 7.7809 113.7277 55.4844 32.6712 174.0714 412 V 4.5221 8.2686 121.2545 61.4554 32.8955 175.0824 413 L 4.5367 8.9273 129.0047 53.0598 43.2215 174.8565 414 P 4.5339 0.0000 0.0000 62.9178 32.2216 176.3098 415 T 4.4060 8.5559 118.3463 64.5294 69.0886 173.9099 416 R 4.7505 9.4380 123.6211 54.4128 35.0418 174.0912 417 R 4.7418 8.5320 121.9394 55.9212 31.0727 175.2379 418 A 4.6318 8.6052 125.9732 50.7322 23.4768 175.5003 419 R 4.3219 9.3046 119.7955 56.3826 31.5382 176.2381 420 T 5.2370 8.3978 112.7364 60.2216 72.5401 172.4686 421 F 5.4882 9.2338 120.4576 56.8718 43.9595 173.0115 422 D 5.0097 9.3203 117.9951 53.4080 44.8631 173.8195 423 L 5.3514 8.5048 121.6491 53.1474 46.1576 175.4180 424 E 4.5856 8.7326 121.5706 54.7745 31.7871 175.0080 425 V 4.5369 8.0270 124.4342 60.6314 33.6170 174.3102 426 E 3.6930 8.5706 129.5652 58.2571 29.4991 175.6635 427 E 4.0933 9.0313 132.3794 57.3715 29.1060 175.3325 428 L 4.2239 7.5852 116.6623 55.3305 42.2395 177.2112 429 H 4.1811 7.8045 114.2562 56.4625 26.7571 174.0302 430 T 5.0806 7.1646 107.5972 60.5507 72.2539 172.4091 431 L 4.7222 8.5230 119.4781 55.1664 44.1736 173.6289 432 V 4.6524 8.4669 121.0792 61.8637 32.4737 175.2263 433 A 4.8583 9.0143 130.8793 51.6634 21.4780 175.5416 434 E 3.8944 9.9293 122.6596 57.4654 27.7920 175.9857 435 G 3.8680 8.5107 102.9120 45.7546 0.0000 174.0961 436 V 4.4467 7.7485 119.2074 60.3848 34.4084 174.7162 437 V 4.4120 8.5288 126.7917 62.9633 32.3832 175.2837 438 V 5.1156 8.9226 121.1820 59.4341 35.8886 175.5621 439 H 4.1362 9.3602 121.5144 56.5370 29.2794 174.9713 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 L 8.04 4.48 0.00 1.75 1.75 0.99 0.52 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 3 A 8.69 4.59 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 4 E 8.72 4.38 0.00 2.20 2.33 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 2.38 2.30 0.00 5 G 9.79 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 6 T 7.71 4.12 4.32 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 1.29 0.00 0.00 7 R 9.63 4.89 0.00 1.88 1.90 0.00 3.09 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.88 0.00 8 I 9.11 4.86 1.95 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 1.19 0.74 0.99 0.00 0.00 9 F 9.04 5.04 0.00 3.14 3.05 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 10 D 8.50 5.34 0.00 2.72 2.45 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 11 P 0.00 4.01 0.00 2.19 2.29 0.00 3.72 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.97 0.00 12 V 7.92 3.77 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 0.71 0.00 0.00 0.73 0.00 0.00 13 T 7.90 4.32 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 1.26 0.00 0.00 14 G 8.24 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 15 T 7.53 4.49 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 0.97 0.00 0.00 16 T 8.50 5.04 4.32 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 1.30 0.00 0.00 17 H 9.50 5.01 0.00 3.02 3.19 0.00 5.60 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 R 8.25 4.82 0.00 1.95 1.96 0.00 3.22 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 19 I 8.66 3.61 1.89 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.37 0.85 0.00 0.00 20 E 7.69 2.54 0.00 1.81 1.59 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 2.21 2.27 0.00 21 D 8.01 4.27 0.00 2.86 2.73 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 22 V 7.49 3.57 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 1.21 0.00 0.00 0.97 0.00 0.00 23 V 7.80 3.75 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 1.25 0.00 0.00 1.21 0.00 0.00 24 D 8.13 4.54 0.00 2.69 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 7.57 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 26 R 7.27 2.51 0.00 1.29 0.66 0.00 2.61 0.00 0.00 2.88 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.32 0.00 27 K 7.73 4.07 0.00 1.76 1.74 0.00 1.67 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.28 7.81 28 P 0.00 5.15 0.00 2.17 2.32 0.00 3.77 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 29 I 7.73 4.14 1.98 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 1.37 0.70 0.74 0.00 0.00 30 H 9.46 5.32 0.00 3.31 3.21 0.00 5.75 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 V 8.57 5.10 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 0.96 0.00 0.00 0.98 0.00 0.00 32 V 8.48 4.15 2.29 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 1.16 0.00 0.00 1.31 0.00 0.00 33 A 9.12 5.26 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 34 A 8.86 5.19 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 35 A 8.99 4.46 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.77 3.88 0.00 1.79 1.93 0.00 1.81 0.00 0.00 1.80 0.00 0.00 3.09 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.53 7.81 37 D 8.11 4.58 0.00 2.85 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 38 G 8.42 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 39 T 8.27 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 1.31 0.00 0.00 40 L 8.43 5.26 0.00 1.56 1.63 1.06 0.96 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 41 H 9.31 4.97 0.00 3.00 3.14 0.00 5.61 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 42 A 8.66 4.76 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 43 R 8.77 4.84 0.00 1.73 1.84 0.00 3.40 0.00 0.00 3.23 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.70 0.00 44 P 0.00 4.68 0.00 1.97 1.88 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 1.99 1.92 0.00 45 V 8.16 4.03 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 -0.02 0.00 0.00 0.84 0.00 0.00 46 V 8.40 4.09 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 0.62 0.00 0.00 0.83 0.00 0.00 47 S 6.83 4.27 0.00 3.63 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 48 W 8.37 5.08 0.00 3.11 2.91 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 49 F 9.28 4.91 0.00 3.16 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 50 D 9.11 4.98 0.00 2.86 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 51 Q 8.42 4.23 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 5.50 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 52 G 8.14 3.75 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 0.00 0.00 0.00 53 T 8.10 4.59 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 1.21 0.00 0.00 54 R 8.90 4.76 0.00 1.69 1.77 0.00 3.10 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.73 0.00 55 D 8.57 5.19 0.00 2.63 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 56 V 9.40 5.00 2.42 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 0.81 0.00 0.00 1.12 0.00 0.00 57 I 9.11 5.01 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 1.36 0.78 0.98 0.00 0.00 58 G 8.07 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 0.00 0.00 0.00 59 L 8.30 4.61 0.00 1.41 1.49 0.89 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 60 R 8.65 4.43 0.00 1.77 1.83 0.00 3.04 0.00 0.00 3.15 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 61 I 9.13 4.76 1.82 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 1.35 0.96 0.87 0.00 0.00 62 A 8.48 4.17 1.22 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 63 G 9.97 3.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 G 7.88 3.86 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 0.00 0.00 0.00 65 A 8.05 4.17 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 66 I 8.21 4.48 1.94 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 1.14 0.71 0.41 0.00 0.00 67 L 8.58 4.32 0.00 1.73 1.45 0.97 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 68 W 8.85 5.34 0.00 3.37 3.12 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 69 A 8.87 5.09 1.23 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 0.00 0.00 70 T 8.47 4.52 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 1.30 0.00 0.00 71 P 0.00 4.29 0.00 2.22 2.19 0.00 3.62 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 2.15 2.14 0.00 72 D 7.95 4.64 0.00 2.77 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 73 H 8.28 4.28 0.00 3.43 3.30 0.00 5.77 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 K 8.42 4.97 0.00 1.58 1.92 0.00 1.38 0.00 0.00 1.61 0.00 0.00 2.47 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.55 1.36 7.81 75 V 9.07 4.99 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 0.99 0.00 0.00 1.05 0.00 0.00 76 L 8.71 3.82 0.00 0.91 1.34 -0.13 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 77 T 8.34 4.99 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 1.25 0.00 0.00 78 E 8.19 3.24 0.00 1.62 1.58 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 1.58 1.47 0.00 79 Y 7.76 4.81 0.00 2.92 2.83 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 80 G 7.85 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.38 4.93 0.00 3.25 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 82 R 9.02 4.93 0.00 1.77 1.82 0.00 3.39 0.00 0.00 3.26 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.77 0.00 83 A 9.40 4.60 1.31 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 0.00 0.00 84 A 9.42 4.02 1.40 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 0.00 0.00 85 G 8.45 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 0.00 0.00 0.00 86 E 8.33 4.28 0.00 2.07 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 2.33 2.30 0.00 87 L 7.36 4.47 0.00 1.70 1.57 0.93 1.25 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 88 R 8.89 4.65 0.00 1.81 1.71 0.00 3.17 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 89 K 8.46 4.18 0.00 1.77 1.74 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.79 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.54 1.44 7.81 90 G 8.63 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 91 D 8.00 4.60 0.00 2.69 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 92 R 8.71 5.13 0.00 1.63 1.85 0.00 3.10 0.00 0.00 3.14 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 93 V 8.68 4.85 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 0.71 0.00 0.00 0.90 0.00 0.00 94 A 8.80 4.18 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 95 Q 8.87 4.79 0.00 1.77 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.93 0.00 0.00 0.00 0.00 0.00 2.36 2.19 0.00 96 P 0.00 4.81 0.00 2.15 2.14 0.00 3.88 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 1.82 1.96 0.00 97 R 8.75 4.20 0.00 1.73 1.91 0.00 3.44 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.49 0.00 98 R 8.65 3.74 0.00 2.04 2.07 0.00 3.12 0.00 0.00 3.47 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 99 F 8.55 4.67 0.00 2.95 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 0.00 100 D 8.28 4.67 0.00 3.01 2.88 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 G 8.15 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 0.00 102 F 8.54 4.42 0.00 3.09 3.10 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 *402 E 8.16 4.39 0.00 1.99 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 2.21 2.35 0.00 403 E 7.99 4.61 0.00 2.07 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 2.31 2.31 0.00 404 L 7.88 5.31 0.00 1.32 1.18 0.85 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 405 R 8.88 4.62 0.00 1.71 1.89 0.00 2.69 0.00 0.00 3.11 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.46 0.00 406 Y 8.49 4.96 0.00 2.87 2.88 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 0.00 407 S 8.91 4.83 0.00 3.69 3.69 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 0.00 408 V 8.25 4.14 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 1.04 0.00 0.00 0.91 0.00 0.00 409 I 8.74 4.18 1.97 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.50 0.88 0.00 0.00 410 R 9.34 3.98 0.00 1.72 2.04 0.00 3.32 0.00 0.00 3.25 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 411 E 7.78 4.72 0.00 2.00 1.94 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 2.18 2.19 0.00 412 V 8.27 4.52 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 0.78 0.00 0.00 0.89 0.00 0.00 413 L 8.93 4.54 0.00 1.27 1.65 0.96 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 414 P 0.00 4.53 0.00 2.02 2.05 0.00 3.80 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 2.08 2.17 0.00 415 T 8.56 4.41 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 1.27 0.00 0.00 416 R 9.44 4.75 0.00 1.51 1.59 0.00 3.24 0.00 0.00 3.07 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.55 0.00 417 R 8.53 4.74 0.00 1.81 1.79 0.00 3.26 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 418 A 8.61 4.63 1.15 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 0.00 419 R 9.30 4.32 0.00 1.92 1.77 0.00 3.09 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 420 T 8.40 5.24 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 1.28 0.00 0.00 421 F 9.23 5.49 0.00 2.92 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 0.00 422 D 9.32 5.01 0.00 2.81 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 0.00 423 L 8.50 5.35 0.00 1.51 1.38 0.96 0.94 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 0.00 424 E 8.73 4.59 0.00 1.88 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 0.00 2.57 2.51 0.00 425 V 8.03 4.54 2.02 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 0.93 0.00 0.00 0.89 0.00 0.00 426 E 8.57 3.69 0.00 1.92 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 2.29 2.23 0.00 427 E 9.03 4.09 0.00 2.12 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 2.18 2.31 0.00 428 L 7.59 4.22 0.00 1.77 1.89 0.97 1.13 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 0.00 429 H 7.80 4.18 0.00 3.13 3.17 0.00 5.61 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 430 T 7.16 5.08 4.49 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 1.47 0.00 0.00 431 L 8.52 4.72 0.00 1.80 1.80 0.98 0.85 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 0.00 432 V 8.47 4.65 2.22 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 0.81 0.00 0.00 1.09 0.00 0.00 433 A 9.01 4.86 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 0.00 434 E 9.93 3.89 0.00 2.12 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 2.34 2.48 0.00 435 G 8.51 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 0.00 436 V 7.75 4.45 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 1.06 0.00 0.00 0.96 0.00 0.00 437 V 8.53 4.41 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 0.96 0.00 0.00 0.95 0.00 0.00 438 V 8.92 5.12 2.33 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 0.97 0.00 0.00 1.14 0.00 0.00 439 H 9.36 4.14 0.00 2.90 3.01 0.00 5.78 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 * Residues marked with a * may have inaccurate shift predictions.