NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.5675 8.3601 120.5307 54.3866 41.5704 173.6562 3 A 4.5962 7.8760 128.9484 47.9151 21.7051 171.2625 4 P 3.9873 0.0000 0.0000 63.5499 31.3105 174.7409 5 R 3.7768 7.5202 122.9671 55.9538 26.3201 177.1484 6 L 4.2842 8.6172 121.4673 55.8299 42.0102 178.6243 7 T 4.2459 7.8625 108.6667 62.8558 69.6254 175.8106 8 G 3.7195 7.8446 107.7627 43.5258 0.0000 170.4303 9 A 3.4973 8.5466 126.2739 51.6052 17.4964 176.5294 10 D 4.1885 9.1918 123.4710 57.0236 42.1482 179.3853 11 R 3.5137 8.5890 121.3634 58.6807 25.7308 172.4665 12 P 3.8842 0.0000 0.0000 61.5892 33.4295 177.6451 13 M 3.2282 8.7912 119.2100 55.7730 30.1700 177.5015 14 S 4.0617 7.7837 114.1038 62.3050 62.4965 171.9681 15 E 4.3827 7.4017 117.1387 54.6124 30.5805 175.4885 16 V 4.4011 7.9313 126.5317 60.7382 34.5348 174.4228 17 A 4.2336 8.4949 128.5788 51.3067 19.4655 176.6582 18 A 4.4984 8.3230 125.6558 49.7577 19.7579 175.4970 19 P 4.4181 0.0000 0.0000 62.1747 32.0809 174.6777 20 P 4.4660 0.0000 0.0000 61.9752 32.1064 176.1621 21 L 3.8593 8.4382 119.2882 55.2052 42.0121 175.7177 22 P 4.5940 0.0000 0.0000 61.9373 32.7544 175.1054 23 E 4.6132 8.3045 118.5735 55.0569 31.6269 175.7144 24 T 4.2842 8.5421 119.1863 64.2311 69.5837 173.8378 25 I 4.2490 8.5745 126.1779 60.7527 37.2616 176.0032 26 T 4.2352 8.5329 123.9098 63.4725 69.5094 174.7697 27 D 4.4118 7.9033 121.8638 53.5446 39.1017 178.2643 28 D 4.8986 8.4703 127.3840 53.2801 39.9769 176.7372 29 R 4.4175 8.4201 119.5025 54.5580 30.9483 177.3562 30 R 4.0586 8.4706 122.3407 56.5591 30.8344 176.7051 31 V 3.7939 8.3302 120.2054 63.6600 32.3588 177.1060 32 G 3.8336 8.3730 107.1180 46.3149 0.0000 172.8140 33 R 4.5560 8.1435 123.4195 54.7342 32.8120 175.1599 34 N 4.9140 8.3748 114.2989 54.1467 40.2727 174.9457 35 Y 4.9440 6.9621 113.4597 54.1330 41.3726 173.2138 36 P 4.3726 0.0000 0.0000 63.5962 31.8461 176.0126 37 E 3.6349 8.7222 115.3245 57.4536 27.2175 174.5743 38 Q 4.1853 7.6637 120.2806 53.3713 28.8794 173.6062 39 P 4.2295 0.0000 0.0000 62.5431 31.3212 174.5470 40 P 4.2955 0.0000 0.0000 62.6169 31.9114 176.0159 41 V 4.0948 7.9112 120.2451 61.7978 32.6338 175.8394 42 I 3.9152 8.6467 127.2484 60.2116 37.0538 174.9424 43 P 4.4435 0.0000 0.0000 63.3650 31.6737 174.9333 44 H 4.9907 7.0720 113.8238 53.7695 31.4866 172.7424 45 S 4.4025 8.4639 113.1487 58.3010 63.3211 173.0621 46 I 3.8988 7.8596 122.7573 63.8077 40.0294 181.0975 47 E 3.1370 8.2619 113.6900 57.0187 29.9362 176.7208 48 G 3.7577 8.7458 120.9033 47.7437 0.0000 173.6595 49 Y 4.5009 8.1892 119.5318 58.4122 38.3504 175.3367 50 Q 4.6667 8.8598 125.4649 54.4474 31.7589 174.1735 51 L 5.0299 8.5919 125.1434 53.3272 43.0468 175.3380 52 S 4.8216 9.4157 119.6808 57.0177 65.9826 174.8396 53 V 3.8377 8.6479 118.5984 65.6557 31.3322 176.8013 54 N 4.7613 7.5132 113.1119 53.5591 39.7447 174.5240 55 A 4.6086 7.7262 119.5525 51.1061 22.3012 175.0677 56 N 4.8479 8.2280 118.0023 50.5598 40.0900 174.2608 57 R 3.8528 8.8207 126.3576 59.4890 30.0144 177.6433 58 C 3.9992 7.8953 115.6818 62.8237 28.0441 175.5753 59 L 4.4777 7.7255 118.2349 55.7659 41.1124 178.5592 60 E 4.1232 7.9026 119.3309 58.3772 29.5865 177.0559 61 C 4.4050 7.8649 114.4960 60.5167 30.2650 173.2999 62 H 4.8224 8.1163 118.2577 54.3796 28.3443 174.5317 63 R 4.7643 7.9518 119.1360 55.2749 33.2969 173.5721 64 R 4.6736 8.7596 119.7059 55.0719 32.9310 176.3916 65 Q 4.5802 8.3567 121.2546 53.9438 31.3819 170.7704 66 Y 4.4593 8.4518 116.6725 57.9422 38.1129 178.2359 67 S 3.8133 10.1555 118.8275 60.2379 62.4046 173.5764 68 G 4.0225 8.4822 114.2395 46.5770 0.0000 174.3865 69 L 4.3578 8.1799 119.7068 53.8218 42.7107 176.1685 70 V 4.2190 8.1293 119.3599 61.0957 33.2603 174.5656 71 A 4.6665 8.1160 128.1484 49.9140 22.4370 174.7447 72 A 4.1582 8.3106 122.8126 50.9681 19.0496 176.1601 73 P 4.3448 0.0000 0.0000 63.2143 31.8665 176.1776 74 M 4.7403 8.2573 119.6730 54.9258 33.4213 175.5724 75 I 4.5953 7.2407 111.1477 59.0934 40.7251 174.7089 76 S 4.3496 8.3435 116.8088 58.0316 63.8919 175.1590 77 I 3.1570 8.0699 122.6618 63.0000 36.8471 178.0432 78 T 4.0666 7.7892 110.8547 63.8698 68.7402 174.8916 79 H 4.8535 8.5621 119.0311 56.4022 29.0108 175.7586 80 F 4.8610 8.5789 120.3962 57.8724 40.6599 175.7367 81 Q 5.5658 8.1029 117.3526 55.0816 29.5343 175.6853 82 D 4.8350 8.5592 122.7396 51.3914 42.3819 175.4743 83 R 4.0084 8.3958 118.5147 58.6270 30.1324 176.1379 84 E 4.0213 8.8478 122.8261 55.3286 26.9901 176.1700 85 G 3.9812 8.4336 106.2552 45.6615 0.0000 174.3381 86 Q 4.0957 7.8246 119.3813 56.3632 30.0534 175.4785 87 M 4.6602 8.5083 123.2656 54.1401 32.7717 175.6356 88 L 4.3069 8.7147 126.7369 54.0096 43.4879 177.1835 89 A 4.4809 8.2512 120.9466 51.5628 18.4599 176.8486 90 D 3.3700 6.9009 119.2140 54.5818 44.8180 176.3372 91 V 3.5736 7.3340 121.6198 63.4936 31.6968 175.8504 92 S 4.5787 8.5547 121.4828 56.6479 64.4479 172.5857 93 P 4.3740 0.0000 0.0000 65.4464 31.3597 177.1857 94 R 4.4067 7.1688 114.7230 57.3378 29.9578 176.8894 95 R 4.2876 8.9277 119.5126 56.3299 28.2806 176.7029 96 Y 4.0567 7.8576 118.4044 60.6185 38.9779 177.1614 97 F 4.1767 8.2000 124.3009 56.7823 38.2188 175.9969 98 C 4.3107 8.5280 124.8789 62.7690 28.2442 176.4717 99 T 4.2009 8.1709 107.9602 64.0334 68.1931 174.6128 100 A 4.2071 7.6391 123.3660 54.2894 18.7271 177.9075 101 C 4.5897 8.5820 112.3860 60.4390 30.3686 173.9930 102 H 4.8348 8.0371 116.4335 54.1262 29.7118 174.0880 103 V 4.5640 8.1626 124.3143 60.4505 34.3869 173.4806 104 P 5.0113 0.0000 0.0000 62.3165 33.4524 174.5262 105 Q 4.7540 8.3646 116.5963 54.6401 33.4554 174.3741 106 T 4.8301 8.3234 110.7517 59.8411 72.2780 173.4357 107 N 4.7479 8.5254 120.3453 52.5107 38.2824 173.7172 108 A 4.6345 8.0873 127.0953 50.1393 22.3186 175.3537 109 Q 4.3024 8.7784 122.0093 54.0812 29.9493 174.3499 110 P 4.3017 0.0000 0.0000 62.9192 31.7784 177.2692 111 L 4.2359 8.4871 121.9425 56.4404 41.9314 177.2465 112 V 4.3534 6.9545 115.6940 61.7131 34.8276 172.9480 113 T 4.0713 8.4699 117.0330 61.4938 69.5635 173.0972 114 N 4.9131 8.5909 121.8956 52.2274 40.2458 174.3796 115 E 4.6918 8.6418 126.4686 56.6870 30.4498 176.3461 116 F 4.4730 8.2457 121.8120 58.5510 40.4948 174.0979 117 R 4.8162 7.6811 123.8721 54.1190 32.6471 175.3603 118 D 4.3313 8.2073 121.5429 54.2958 42.1159 177.0900 119 M 4.0054 8.9213 124.7846 58.2965 32.2134 176.8930 120 L 4.3668 7.5819 117.5302 54.7394 43.1258 176.4573 121 T 3.2951 8.3934 112.6120 61.7864 66.6226 172.3838 122 L 4.5303 7.6450 130.8369 54.7565 42.0024 177.1627 123 M 4.4716 10.6600 118.5027 53.3696 34.6130 174.0160 124 P 4.6453 0.0000 0.0000 63.0233 31.9586 175.9700 125 A 4.2471 8.4341 126.7453 52.6171 19.1034 177.2685 126 S 4.5185 8.4999 115.2152 57.2331 65.8474 172.7645 127 N 4.5243 9.0811 124.2527 55.2769 39.9354 175.3728 *128 E 4.1515 7.9961 116.5443 56.0911 30.5139 177.2957 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 D 8.36 4.57 0.00 2.68 2.72 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 3 A 7.88 4.60 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 4 P 0.00 3.99 0.00 2.23 2.28 0.00 3.72 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.04 0.00 5 R 7.52 3.78 0.00 1.90 2.05 0.00 3.31 0.00 0.00 3.34 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.65 0.00 6 L 8.62 4.28 0.00 1.63 1.73 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 7 T 7.86 4.25 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 8 G 7.84 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 9 A 8.55 3.50 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 10 D 9.19 4.19 0.00 2.65 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 11 R 8.59 3.51 0.00 1.93 1.99 0.00 3.35 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.21 0.00 12 P 0.00 3.88 0.00 2.23 2.14 0.00 3.79 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 2.06 2.05 0.00 13 M 8.79 3.23 0.00 2.20 2.24 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.51 0.00 14 S 7.78 4.06 0.00 3.97 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 15 E 7.40 4.38 0.00 2.05 2.08 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 2.08 2.05 0.00 16 V 7.93 4.40 2.08 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 0.88 0.00 0.00 0.93 0.00 0.00 17 A 8.49 4.23 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 18 A 8.32 4.50 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 19 P 0.00 4.42 0.00 2.05 2.01 0.00 3.68 0.00 0.00 3.94 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 20 P 0.00 4.47 0.00 2.17 2.04 0.00 3.80 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 1.98 1.98 0.00 21 L 8.44 3.86 0.00 1.65 1.69 0.91 1.04 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 22 P 0.00 4.59 0.00 2.03 2.09 0.00 3.66 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 2.01 2.06 0.00 23 E 8.30 4.61 0.00 2.02 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 2.29 2.32 0.00 24 T 8.54 4.28 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 1.24 0.00 0.00 25 I 8.57 4.25 1.94 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 1.22 0.66 0.91 0.00 0.00 26 T 8.53 4.24 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 1.21 0.00 0.00 27 D 7.90 4.41 0.00 2.82 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 28 D 8.47 4.90 0.00 2.70 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 29 R 8.42 4.42 0.00 1.87 1.87 0.00 3.17 0.00 0.00 3.54 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 30 R 8.47 4.06 0.00 1.79 1.86 0.00 3.20 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 31 V 8.33 3.79 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 0.78 0.00 0.00 0.92 0.00 0.00 32 G 8.37 3.83 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 0.00 0.00 0.00 33 R 8.14 4.56 0.00 1.64 1.67 0.00 3.18 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 34 N 8.37 4.91 0.00 2.99 3.14 0.00 0.00 6.58 7.46 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 35 Y 6.96 4.94 0.00 3.02 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 36 P 0.00 4.37 0.00 2.27 2.11 0.00 3.93 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.18 0.00 37 E 8.72 3.63 0.00 2.19 2.08 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 2.28 2.33 0.00 38 Q 7.66 4.19 0.00 0.93 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.76 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 39 P 0.00 4.23 0.00 2.33 2.05 0.00 3.79 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.00 0.00 40 P 0.00 4.30 0.00 1.99 2.00 0.00 3.82 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 41 V 7.91 4.09 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 0.81 0.00 0.00 0.91 0.00 0.00 42 I 8.65 3.92 1.81 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.66 0.73 0.00 0.00 43 P 0.00 4.44 0.00 2.22 2.33 0.00 3.46 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.95 0.00 44 H 7.07 4.99 0.00 3.31 3.60 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 45 S 8.46 4.40 0.00 3.79 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 46 I 7.86 3.90 1.82 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.51 0.92 0.00 0.00 47 E 8.26 3.14 0.00 1.82 1.96 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 2.16 2.17 0.00 48 G 8.75 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 49 Y 8.19 4.50 0.00 2.84 2.86 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 50 Q 8.86 4.67 0.00 2.17 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.84 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 51 L 8.59 5.03 0.00 1.62 1.38 0.93 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 52 S 9.42 4.82 0.00 4.01 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 53 V 8.65 3.84 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 0.84 0.00 0.00 1.00 0.00 0.00 54 N 7.51 4.76 0.00 2.75 2.86 0.00 0.00 6.74 7.23 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 55 A 7.73 4.61 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 56 N 8.23 4.85 0.00 2.10 2.49 0.00 0.00 6.94 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 57 R 8.82 3.85 0.00 1.82 1.72 0.00 3.12 0.00 0.00 2.99 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.88 0.00 58 C 7.90 4.00 0.00 3.01 2.94 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 59 L 7.73 4.48 0.00 1.68 1.69 0.89 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 60 E 7.90 4.12 0.00 2.00 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 2.27 2.34 0.00 61 C 7.86 4.41 0.00 2.73 2.76 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 62 H 8.12 4.82 0.00 3.18 3.30 0.00 5.63 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 R 7.95 4.76 0.00 1.88 2.03 0.00 3.03 0.00 0.00 3.31 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 64 R 8.76 4.67 0.00 1.89 1.52 0.00 2.96 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.64 0.00 65 Q 8.36 4.58 0.00 2.06 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.86 0.00 0.00 0.00 0.00 0.00 2.22 1.94 0.00 66 Y 8.45 4.46 0.00 3.07 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 0.00 0.00 0.00 67 S 10.16 3.81 0.00 4.10 4.39 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 68 G 8.48 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 69 L 8.18 4.36 0.00 1.58 1.59 0.92 0.00 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 70 V 8.13 4.22 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 0.79 0.00 0.00 0.92 0.00 0.00 71 A 8.12 4.67 1.14 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 0.00 0.00 72 A 8.31 4.16 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 73 P 0.00 4.34 0.00 2.14 2.00 0.00 3.67 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.94 0.00 74 M 8.26 4.74 0.00 1.92 2.34 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.72 0.00 75 I 7.24 4.60 1.89 0.00 0.00 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 1.69 0.52 0.82 0.00 0.00 76 S 8.34 4.35 0.00 4.04 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 77 I 8.07 3.16 1.66 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 -0.36 0.79 0.00 0.00 78 T 7.79 4.07 4.26 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 1.22 0.00 0.00 79 H 8.56 4.85 0.00 3.55 3.55 0.00 5.79 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 F 8.58 4.86 0.00 3.02 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 81 Q 8.10 5.57 0.00 2.04 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.79 0.00 0.00 0.00 0.00 0.00 2.45 2.37 0.00 82 D 8.56 4.84 0.00 2.73 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 83 R 8.40 4.01 0.00 1.80 1.91 0.00 3.24 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 84 E 8.85 4.02 0.00 2.09 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 2.17 2.33 0.00 85 G 8.43 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 0.00 0.00 0.00 86 Q 7.82 4.10 0.00 2.40 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.77 0.00 0.00 0.00 0.00 0.00 2.55 2.47 0.00 87 M 8.51 4.66 0.00 2.07 2.04 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 2.67 2.72 0.00 88 L 8.71 4.31 0.00 1.87 1.53 0.92 0.36 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 89 A 8.25 4.48 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 90 D 6.90 3.37 0.00 2.39 2.32 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 91 V 7.33 3.57 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 1.00 0.00 0.00 1.03 0.00 0.00 92 S 8.55 4.58 0.00 4.02 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 93 P 0.00 4.37 0.00 2.18 2.06 0.00 3.59 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.02 0.00 94 R 7.17 4.41 0.00 2.13 1.97 0.00 3.08 0.00 0.00 3.43 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 95 R 8.93 4.29 0.00 2.22 2.53 0.00 3.36 0.00 0.00 3.14 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 96 Y 7.86 4.06 0.00 2.96 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 97 F 8.20 4.18 0.00 3.29 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 98 C 8.53 4.31 0.00 3.02 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 99 T 8.17 4.20 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 1.27 0.00 0.00 100 A 7.64 4.21 1.44 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 0.00 0.00 101 C 8.58 4.59 0.00 2.73 2.80 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 0.00 102 H 8.04 4.83 0.00 3.15 3.20 0.00 5.65 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 V 8.16 4.56 2.08 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 1.03 0.00 0.00 0.94 0.00 0.00 104 P 0.00 5.01 0.00 2.09 2.04 0.00 3.77 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.98 0.00 105 Q 8.36 4.75 0.00 1.95 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.68 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 106 T 8.32 4.83 4.34 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 1.20 0.00 0.00 107 N 8.53 4.75 0.00 2.78 2.80 0.00 0.00 6.91 7.29 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 0.00 108 A 8.09 4.63 1.19 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 0.00 0.00 109 Q 8.78 4.30 0.00 2.21 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 110 P 0.00 4.30 0.00 2.18 2.00 0.00 3.60 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 2.13 2.13 0.00 111 L 8.49 4.24 0.00 1.64 1.72 0.92 0.86 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 0.00 112 V 6.95 4.35 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 0.70 0.00 0.00 0.94 0.00 0.00 113 T 8.47 4.07 4.26 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 1.22 0.00 0.00 114 N 8.59 4.91 0.00 2.76 2.78 0.00 0.00 7.07 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 0.00 115 E 8.64 4.69 0.00 2.03 1.96 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 2.30 2.31 0.00 116 F 8.25 4.47 0.00 3.19 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 0.00 117 R 7.68 4.82 0.00 1.47 1.64 0.00 3.57 0.00 0.00 3.08 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.44 0.00 118 D 8.21 4.33 0.00 2.76 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 0.00 119 M 8.92 4.01 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.68 0.00 120 L 7.58 4.37 0.00 1.56 1.58 0.94 1.10 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 0.00 121 T 8.39 3.30 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 1.20 0.00 0.00 122 L 7.64 4.53 0.00 1.61 1.68 0.89 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 123 M 10.66 4.47 0.00 2.11 1.88 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.63 0.00 124 P 0.00 4.65 0.00 1.97 2.02 0.00 3.73 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 2.03 2.10 0.00 125 A 8.43 4.25 1.41 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 0.00 0.00 0.00 126 S 8.50 4.52 0.00 3.94 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 0.00 127 N 9.08 4.52 0.00 2.73 3.06 0.00 0.00 6.99 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 *128 E 8.00 4.15 0.00 1.73 1.76 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.