NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2498 8.2649 123.5932 52.2129 18.9446 176.5416 2 N 4.5161 8.6835 120.9090 51.6988 38.9839 173.1414 3 A 4.3753 7.9473 126.3346 50.8111 21.2549 175.7403 4 F 3.7851 7.8665 122.2772 60.9030 38.5653 175.0299 5 L 4.1389 8.5745 131.0782 55.5372 39.9188 172.5486 *8 L 4.4055 7.7336 120.6303 54.2716 44.1138 178.5025 9 R 4.0501 7.8374 116.6425 55.0510 30.5810 174.6725 10 P 4.2456 0.0000 0.0000 62.2875 31.7814 176.1955 11 G 3.6164 8.6329 109.5221 46.3440 0.0000 172.6440 12 S 4.4052 8.2694 119.1458 56.0024 64.5500 174.0276 13 L 3.6001 8.3525 127.0362 56.2941 41.4705 177.4664 *15 R 4.1238 7.8953 114.3740 56.0517 31.2939 176.6772 *17 C 5.0396 8.3019 114.2752 56.7295 41.9476 175.6746 18 K 4.1921 7.3744 116.2926 56.5600 31.5365 177.6911 *21 Q 4.9153 8.2243 119.3261 56.4801 29.2203 172.8504 22 C 4.9634 9.1952 119.9974 53.9561 43.9883 172.7469 23 S 5.0456 8.2902 114.6691 56.4962 64.8300 174.5425 24 F 3.3327 8.0545 123.0342 56.8220 37.6903 174.1347 *27 A 4.1809 8.2198 129.1890 51.7204 20.2721 179.9734 28 R 4.8917 6.9756 115.1123 55.8898 29.4303 178.3521 *30 I 3.8445 7.8730 118.4514 60.7387 38.9949 177.2080 31 F 4.1940 7.9640 117.5843 57.6961 39.3396 176.3636 32 K 4.3723 9.2041 125.3752 56.4476 32.8124 175.6994 33 D 4.6439 7.6904 117.5658 53.0102 42.0949 177.3021 34 A 4.3454 8.4985 127.2124 53.0107 18.1633 179.2588 *36 R 4.1678 8.1495 119.9145 58.1700 32.2897 178.3636 37 T 3.4379 7.9108 114.3473 66.7838 68.1908 176.2027 38 K 4.2095 8.6640 120.3791 59.3951 31.8205 179.1445 39 L 3.8389 7.5732 120.9261 58.2641 42.7394 178.9594 40 F 4.2322 8.0791 120.5589 61.0688 39.3460 176.9172 41 W 4.2425 9.1065 128.3792 60.3455 30.2428 177.7005 42 I 3.6863 7.9247 119.5131 64.6495 36.8972 178.1647 43 S 4.1672 7.7803 114.8620 61.3997 63.0298 175.5164 44 Y 3.8876 7.0795 122.9417 60.6358 38.3540 178.0684 45 S 4.0461 7.1418 111.1608 57.9690 63.0431 174.3092 46 D 4.2328 8.0067 123.3785 55.1603 41.4402 177.8429 47 G 3.8035 7.9698 103.9925 45.8868 0.0000 173.0879 48 D 5.0099 8.0270 121.1176 51.4669 40.2323 176.6285 49 Q 3.9929 8.4734 124.5256 58.4943 29.3154 179.1616 50 C 4.3387 8.5778 113.6886 57.5914 40.3376 175.3605 51 A 3.8195 7.9941 124.5468 55.0866 17.9900 178.8542 52 S 4.2410 7.5783 106.5510 58.1533 63.6023 174.6613 53 S 3.6272 7.5278 116.1842 59.4508 60.2699 170.6023 54 P 4.2281 0.0000 0.0000 65.2536 32.0308 178.3026 55 C 4.4963 7.9411 116.9824 56.7753 39.7853 173.3602 56 Q 4.2686 8.9955 124.9163 54.6860 30.2149 174.8331 57 N 3.4456 9.3889 113.1353 54.5369 35.7961 175.7221 58 G 3.7789 8.2836 102.5006 45.4500 0.0000 174.1266 59 G 3.9340 7.5944 106.8092 46.0031 0.0000 173.5632 60 S 4.8559 9.2604 116.0899 56.6456 65.7726 172.9450 61 C 5.2201 8.8692 125.3006 55.6808 44.9718 172.4835 62 K 4.7137 9.0916 126.3891 54.4030 34.8157 175.1343 63 D 4.8919 8.8099 126.7814 55.1130 42.7970 175.1492 64 Q 4.4849 8.3136 120.3985 54.9176 32.6162 173.7687 65 L 4.2691 8.4764 118.9374 55.6385 41.6177 177.0961 66 Q 3.6367 9.4644 121.9773 56.2905 27.3055 173.4673 67 S 4.5333 7.5048 111.2507 58.4034 65.4787 171.9539 68 Y 5.2374 7.4038 116.9807 56.6940 40.9327 173.8471 69 I 4.6683 9.1550 119.9244 59.7360 41.1146 174.0047 70 C 5.5039 8.8962 123.3060 55.3787 39.8143 173.0530 71 F 4.5943 9.4983 123.0167 56.2432 40.2681 174.6046 72 C 5.1326 8.7282 121.1867 55.2455 42.1727 173.8921 73 L 4.4566 8.4799 120.5638 53.7612 42.3125 176.4572 74 P 4.1618 0.0000 0.0000 66.1765 31.4297 177.5292 75 A 4.1631 8.0371 117.8071 52.2291 18.0899 176.2925 76 F 5.2828 8.0439 115.4849 56.9231 43.3016 173.4393 77 E 4.5751 9.0425 119.1547 55.2532 32.5805 174.7313 78 G 4.2962 8.9183 104.8486 45.0228 0.0000 174.5478 79 R 3.8601 8.5620 120.6284 58.7000 30.2325 177.0862 80 N 5.0334 8.5507 113.6500 52.6480 39.1283 173.9061 81 C 4.5341 8.1877 113.5622 57.9999 38.3421 174.4951 82 E 4.1548 8.2145 118.0477 57.8635 30.1452 176.6975 83 T 4.2091 8.1687 118.1932 63.2382 69.1703 173.2993 84 H 4.5689 8.8637 124.2573 54.2336 29.4364 176.3362 85 K 3.9774 8.2766 125.7527 59.4418 32.0091 179.0464 86 D 4.4797 7.8697 116.5974 56.1516 40.7797 176.3320 87 D 4.8076 7.8499 118.0451 54.2801 41.1034 176.5370 88 Q 4.5634 7.7627 117.3867 55.7238 29.0256 177.0408 89 L 4.3431 7.6637 122.1975 53.9361 40.3331 175.5425 90 I 4.8120 7.2678 114.9548 58.1558 41.1763 177.9510 91 C 4.2598 9.4137 120.2546 60.3753 40.1368 176.5854 92 V 3.4885 7.7241 116.4812 62.9732 31.4779 175.8066 93 N 4.5550 8.3962 121.3676 52.7809 38.0849 174.1233 94 E 3.7171 9.0860 129.0850 57.7320 27.4226 174.6752 95 N 4.4755 8.2276 108.9097 53.4426 37.8248 174.1101 96 G 3.9381 8.9216 100.8237 45.8060 0.0000 175.5935 97 G 3.9093 8.2854 105.4171 45.4315 0.0000 173.9925 98 C 4.5176 8.1121 117.7778 56.2986 40.9668 173.6986 99 E 4.0444 8.8331 125.1270 58.5029 30.8345 177.1437 100 Q 4.1540 8.2227 112.3366 56.1689 31.0519 177.1034 101 Y 4.8654 5.3700 121.7825 58.1747 40.5686 174.6911 102 C 5.4524 8.8271 122.0619 54.9171 47.9426 173.0442 103 S 4.7694 9.0492 121.8879 56.6912 65.4334 173.3922 104 D 4.6784 8.6594 124.7889 54.6466 41.8789 176.8240 105 H 4.7997 8.5250 118.2258 53.4982 30.1054 172.6728 106 T 4.0384 8.1024 112.9453 63.0459 69.0553 174.7408 107 G 4.0965 9.7382 111.5605 45.8893 0.0000 172.6161 108 T 4.6073 7.6580 111.7670 59.9520 70.8235 172.7066 109 K 4.1444 8.3765 124.1076 55.9464 32.6832 176.4868 110 R 4.5196 8.3725 121.7609 56.3434 30.5065 175.4716 111 S 4.9227 9.0352 114.1027 56.9060 66.6701 172.0790 112 C 5.5019 8.7573 117.4834 55.6469 42.0902 173.0347 113 R 4.8882 9.1014 119.8007 55.0275 34.8208 173.1234 114 C 5.1349 8.5328 116.0435 55.1465 38.6793 173.9865 115 H 4.5488 8.9184 120.5950 55.4424 30.1745 174.5588 116 E 4.1843 8.2793 124.2928 57.8046 30.0497 177.3365 117 G 3.9680 9.6784 112.5659 45.2045 0.0000 172.0421 118 Y 5.4529 7.6354 115.2406 56.4125 42.3838 174.6483 119 S 4.7861 9.0884 114.1991 56.4992 66.9638 173.1680 120 L 4.5714 8.5213 123.9179 55.3507 42.6663 176.5970 121 L 4.4595 8.9101 126.1543 53.5171 43.1700 177.6111 122 A 3.9338 8.8051 123.3216 55.6698 18.2437 178.8074 123 D 4.3718 8.1917 112.6690 53.9692 39.2382 178.0758 124 G 4.0488 8.2626 107.5660 46.3723 0.0000 174.6962 125 V 4.3593 7.6949 111.6548 61.9117 35.0612 176.3589 126 S 4.9188 8.7509 115.9710 58.2168 64.3923 172.8602 127 C 5.5027 9.2457 119.7632 55.4622 43.8422 173.5092 128 T 4.9143 8.9017 117.6666 59.3526 70.3139 171.3785 129 P 4.4188 0.0000 0.0000 63.1055 31.6677 176.2196 130 T 4.4917 8.7779 112.8423 61.5197 69.9307 174.2477 131 V 4.4744 7.2270 114.2111 59.0732 35.3820 175.1562 132 E 3.8380 8.7519 121.9911 58.8726 29.7497 176.7811 133 Y 4.6675 7.3282 115.3320 54.8830 37.9869 173.2298 134 P 4.2974 0.0000 0.0000 62.0423 32.4475 177.2200 135 C 4.2381 8.4116 114.7402 59.5729 30.1006 174.0258 136 G 3.9574 8.8760 108.6624 45.8307 0.0000 173.3629 137 K 4.5850 7.8731 117.6125 54.3770 34.8641 176.1276 138 I 4.3255 8.0053 123.1815 58.8247 37.2540 174.3983 139 P 4.2921 0.0000 0.0000 65.8223 30.8494 178.8878 140 I 3.6680 7.7849 110.2459 62.3475 37.8670 176.5420 141 L 4.3190 7.2789 120.4666 56.4322 42.4594 176.1276 142 E 4.0998 8.2246 122.9413 56.5100 29.4486 176.1482 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 1 A 8.26 4.25 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 2 N 8.68 4.52 0.00 2.81 2.81 0.00 0.00 6.88 6.46 0.00 0.00 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 A 7.95 4.38 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 4 F 7.87 3.79 0.00 2.93 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 5 L 8.57 4.14 0.00 1.00 1.66 0.60 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 *8 L 7.73 4.41 0.00 1.96 1.76 1.01 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 9 R 7.84 4.05 0.00 1.78 1.84 0.00 3.20 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 10 P 0.00 4.25 0.00 2.13 2.03 0.00 3.77 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 11 G 8.63 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 12 S 8.27 4.41 0.00 3.72 3.65 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 13 L 8.35 3.60 0.00 1.30 1.40 0.30 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 *15 R 7.90 4.12 0.00 1.81 1.92 0.00 3.31 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.65 0.00 *17 C 8.30 5.04 0.00 3.15 3.04 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 18 K 7.37 4.19 0.00 1.83 1.89 0.00 1.77 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.56 1.56 7.81 *21 Q 8.22 4.92 0.00 2.12 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.84 0.00 0.00 0.00 0.00 0.00 2.33 2.55 0.00 22 C 9.20 4.96 0.00 3.21 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 23 S 8.29 5.05 0.00 4.11 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 24 F 8.05 3.33 0.00 1.68 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.22 4.18 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 28 R 6.98 4.89 0.00 1.36 1.78 0.00 3.32 0.00 0.00 3.48 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.55 0.00 *30 I 7.87 3.84 1.62 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.47 0.23 0.00 0.00 31 F 7.96 4.19 0.00 2.92 2.98 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 32 K 9.20 4.37 0.00 1.72 2.00 0.00 1.65 0.00 0.00 1.61 0.00 0.00 3.03 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.32 1.40 7.81 33 D 7.69 4.64 0.00 2.83 2.54 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 34 A 8.50 4.35 1.36 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 *36 R 8.15 4.17 0.00 2.09 1.85 0.00 3.23 0.00 0.00 3.44 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.78 0.00 37 T 7.91 3.44 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 0.30 0.00 0.00 38 K 8.66 4.21 0.00 1.88 1.94 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.60 1.85 7.81 39 L 7.57 3.84 0.00 1.65 1.79 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 40 F 8.08 4.23 0.00 2.80 2.77 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 41 W 9.11 4.24 0.00 3.79 3.42 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 0.00 42 I 7.92 3.69 1.87 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 1.62 1.05 0.92 0.00 0.00 43 S 7.78 4.17 0.00 3.76 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 Y 7.08 3.89 0.00 2.06 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 0.00 0.00 0.00 0.00 45 S 7.14 4.05 0.00 3.03 2.63 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 46 D 8.01 4.23 0.00 2.76 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 47 G 7.97 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 0.00 0.00 0.00 48 D 8.03 5.01 0.00 2.65 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 49 Q 8.47 3.99 0.00 2.35 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.46 6.79 0.00 0.00 0.00 0.00 0.00 2.57 2.51 0.00 50 C 8.58 4.34 0.00 3.18 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 51 A 7.99 3.82 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 52 S 7.58 4.24 0.00 4.01 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 53 S 7.53 3.63 0.00 3.90 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 54 P 0.00 4.23 0.00 1.92 1.87 0.00 3.49 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.77 0.00 55 C 7.94 4.50 0.00 2.97 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 56 Q 9.00 4.27 0.00 1.97 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.19 6.23 0.00 0.00 0.00 0.00 0.00 2.28 2.55 0.00 57 N 9.39 3.45 0.00 1.69 1.42 0.00 0.00 6.95 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 58 G 8.28 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 0.00 0.00 0.00 59 G 7.59 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 60 S 9.26 4.86 0.00 3.73 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 61 C 8.87 5.22 0.00 2.93 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 62 K 9.09 4.71 0.00 1.92 1.88 0.00 1.86 0.00 0.00 1.65 0.00 0.00 2.80 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.51 7.81 63 D 8.81 4.89 0.00 2.86 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 64 Q 8.31 4.48 0.00 2.09 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.66 0.00 0.00 0.00 0.00 0.00 2.52 2.49 0.00 65 L 8.48 4.27 0.00 1.69 1.59 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 66 Q 9.46 3.64 0.00 2.16 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.56 0.00 0.00 0.00 0.00 0.00 2.28 2.46 0.00 67 S 7.50 4.53 0.00 3.81 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 68 Y 7.40 5.24 0.00 3.06 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 69 I 9.16 4.67 2.01 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.95 0.60 0.00 0.00 70 C 8.90 5.50 0.00 3.02 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 71 F 9.50 4.59 0.00 3.00 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 72 C 8.73 5.13 0.00 2.93 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 73 L 8.48 4.46 0.00 1.93 1.74 1.01 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 74 P 0.00 4.16 0.00 2.05 2.17 0.00 3.75 0.00 0.00 3.73 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 75 A 8.04 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 F 8.04 5.28 0.00 3.01 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 77 E 9.04 4.58 0.00 2.14 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 0.00 2.21 2.28 0.00 78 G 8.92 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 0.00 0.00 0.00 0.00 79 R 8.56 3.86 0.00 1.76 2.01 0.00 3.19 0.00 0.00 3.07 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 80 N 8.55 5.03 0.00 2.96 3.00 0.00 0.00 6.98 6.98 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 81 C 8.19 4.53 0.00 3.17 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 82 E 8.21 4.15 0.00 2.19 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 2.33 2.27 0.00 83 T 8.17 4.21 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 1.25 0.00 0.00 84 H 8.86 4.57 0.00 3.29 3.19 0.00 5.82 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 K 8.28 3.98 0.00 1.67 1.78 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.86 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.52 1.34 7.81 86 D 7.87 4.48 0.00 2.57 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 87 D 7.85 4.81 0.00 2.82 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 88 Q 7.76 4.56 0.00 2.03 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.40 0.00 0.00 0.00 0.00 0.00 2.48 2.40 0.00 89 L 7.66 4.34 0.00 1.59 1.59 0.92 1.02 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 90 I 7.27 4.81 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 1.51 1.16 0.90 0.00 0.00 91 C 9.41 4.26 0.00 3.12 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 92 V 7.72 3.49 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 0.68 0.00 0.00 0.92 0.00 0.00 93 N 8.40 4.55 0.00 2.77 2.96 0.00 0.00 7.18 7.20 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 94 E 9.09 3.72 0.00 2.14 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 2.30 2.21 0.00 95 N 8.23 4.48 0.00 2.93 2.80 0.00 0.00 7.60 7.91 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 96 G 8.92 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 0.00 0.00 0.00 97 G 8.29 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 98 C 8.11 4.52 0.00 3.07 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 99 E 8.83 4.04 0.00 1.88 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 2.18 2.20 0.00 100 Q 8.22 4.15 0.00 1.71 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 6.68 0.00 0.00 0.00 0.00 0.00 1.85 2.02 0.00 101 Y 5.37 4.87 0.00 2.94 2.74 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 0.00 102 C 8.83 5.45 0.00 3.05 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 0.00 103 S 9.05 4.77 0.00 3.73 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 0.00 104 D 8.66 4.68 0.00 2.51 2.55 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 0.00 105 H 8.53 4.80 0.00 3.29 3.14 0.00 5.64 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 0.00 106 T 8.10 4.04 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 1.21 0.00 0.00 107 G 9.74 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 0.00 108 T 7.66 4.61 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 1.27 0.00 0.00 109 K 8.38 4.14 0.00 1.76 1.70 0.00 1.84 0.00 0.00 1.76 0.00 0.00 2.84 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.44 7.81 110 R 8.37 4.52 0.00 1.98 1.92 0.00 3.09 0.00 0.00 3.28 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 111 S 9.04 4.92 0.00 3.91 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 0.00 112 C 8.76 5.50 0.00 3.03 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 0.00 113 R 9.10 4.89 0.00 1.83 1.93 0.00 3.13 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 114 C 8.53 5.13 0.00 2.81 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 0.00 115 H 8.92 4.55 0.00 2.77 3.07 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 0.00 116 E 8.28 4.18 0.00 1.98 1.86 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 2.34 2.35 0.00 117 G 9.68 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 0.00 0.00 0.00 118 Y 7.64 5.45 0.00 2.89 2.77 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 0.00 119 S 9.09 4.79 0.00 3.85 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 0.00 120 L 8.52 4.57 0.00 1.68 1.62 0.97 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 121 L 8.91 4.46 0.00 1.79 1.58 0.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 122 A 8.81 3.93 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 0.00 123 D 8.19 4.37 0.00 2.83 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 0.00 124 G 8.26 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 0.00 0.00 0.00 125 V 7.69 4.36 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 0.77 0.00 0.00 0.97 0.00 0.00 126 S 8.75 4.92 0.00 3.91 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 0.00 127 C 9.25 5.50 0.00 2.62 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 0.00 128 T 8.90 4.91 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 1.28 0.00 0.00 129 P 0.00 4.42 0.00 1.81 1.60 0.00 3.69 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 1.97 2.04 0.00 130 T 8.78 4.49 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 1.20 0.00 0.00 131 V 7.23 4.47 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 0.69 0.00 0.00 0.83 0.00 0.00 132 E 8.75 3.84 0.00 1.78 1.82 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 1.47 1.99 0.00 133 Y 7.33 4.67 0.00 2.98 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 4.30 0.00 1.68 1.39 0.00 3.75 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.71 0.00 135 C 8.41 4.24 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 0.00 136 G 8.88 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 0.00 137 K 7.87 4.58 0.00 1.78 1.75 0.00 1.80 0.00 0.00 1.82 0.00 0.00 3.11 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.46 1.42 7.81 138 I 8.01 4.33 1.89 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 1.49 0.71 0.93 0.00 0.00 139 P 0.00 4.29 0.00 2.35 2.56 0.00 3.76 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 2.17 2.24 0.00 140 I 7.78 3.67 1.89 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 1.43 0.61 0.94 0.00 0.00 141 L 7.28 4.32 0.00 1.67 1.76 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 142 E 8.22 4.10 0.00 2.10 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 2.32 2.31 0.00 * Residues marked with a * may have inaccurate shift predictions.