NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.2654 8.1593 117.3739 63.5787 69.6232 174.1013 2 S 4.4387 8.3682 122.0839 55.7578 66.5207 173.2231 3 K 4.0078 9.1825 123.1438 59.7179 32.3361 179.5023 4 K 3.8523 8.1375 118.1517 59.7438 31.7739 178.9341 5 K 3.9806 7.6215 118.1544 59.1919 32.1541 178.0693 6 R 4.2850 7.6526 115.6424 56.8391 30.5826 178.0280 7 Q 4.1427 8.0160 119.3682 57.3365 28.3939 176.0844 8 R 4.0882 7.5510 118.9466 58.6995 30.0720 176.3206 9 G 4.0991 8.9844 111.2311 45.5490 0.0000 174.2169 10 S 4.1774 7.9610 113.4196 58.6630 63.6790 174.8343 11 R 4.1977 8.1324 125.6118 57.3552 29.2539 176.6320 12 T 4.3611 7.6551 104.5910 61.0118 69.4793 174.0691 13 H 4.7352 8.4090 117.3126 56.0720 26.7510 175.7749 14 G 3.9281 8.3550 104.9482 45.8617 0.0000 175.5901 15 G 3.7166 8.4442 107.8692 45.7558 0.0000 175.7344 16 G 3.9820 7.2946 107.2345 45.1580 0.0000 174.8861 17 S 4.2549 8.5000 118.4993 58.0685 62.8267 174.7512 18 H 4.3189 8.8020 122.0600 57.9590 28.3541 176.2024 19 K 3.9985 7.5632 117.9801 57.2992 31.5877 177.7450 20 N 4.3570 7.7044 117.8922 55.8411 39.2468 177.0277 21 R 4.4583 7.4448 119.8540 56.3834 28.9912 177.2581 22 R 4.6117 7.2525 122.2838 56.1656 30.4837 180.2173 23 G 4.0052 8.5237 122.8348 46.2473 0.0000 173.8884 24 A 4.1935 8.6634 120.5859 54.4128 18.4535 179.9287 25 G 3.5907 8.0824 104.4772 48.0471 0.0000 175.0502 26 H 4.4719 7.9526 118.8423 57.9025 29.8776 175.8538 27 R 4.4209 7.6635 117.5159 55.4074 30.6685 175.6931 28 G 3.7970 8.7749 105.8329 46.9944 0.0000 174.4201 29 G 3.9850 8.4286 104.2884 44.3611 0.0000 174.0744 30 R 4.3204 8.4876 117.7783 56.1654 32.0968 177.0296 31 G 3.7543 8.1830 109.9414 47.5635 0.0000 173.8815 32 D 4.7016 8.6593 124.6477 53.8961 40.6378 175.6004 33 A 3.8928 7.4585 122.2816 54.0056 18.7928 178.6050 34 G 3.7807 8.9608 108.5852 46.1701 0.0000 175.3547 35 R 3.9037 7.5514 114.5877 57.3449 29.1156 177.5453 36 D 4.9889 7.7231 115.4269 53.3124 42.2540 174.8644 37 K 4.5725 8.8417 117.2193 57.7570 32.3061 177.4063 38 H 4.5636 9.8007 120.8184 58.6075 29.2271 176.7336 39 E 4.6991 7.5547 119.3778 55.6400 30.0007 178.0042 40 F 4.5445 8.1604 115.5460 59.1282 38.4109 175.4992 41 H 3.5641 6.1671 114.9305 57.2355 29.3354 174.8542 42 N 4.1947 8.7052 118.9999 54.5476 35.7935 174.2876 43 H 4.8256 7.6339 112.0292 53.6419 33.2459 174.1095 44 E 4.0757 8.8653 123.9681 55.5752 29.8754 175.3274 45 P 4.4417 0.0000 0.0000 62.5959 31.8526 176.1337 46 L 4.0780 8.0931 119.3053 55.0772 42.1258 176.0686 47 G 4.2472 7.8510 106.0701 43.3825 0.0000 172.9312 48 K 4.6473 8.1360 118.9965 54.4323 34.6030 176.2711 49 S 4.4195 8.1599 116.3348 57.5409 65.3186 175.1355 50 G 4.0391 9.0965 117.8622 45.1407 0.0000 171.5914 51 F 5.0343 8.3655 112.7822 55.3824 41.1128 173.3716 52 K 4.3555 8.4253 119.2556 54.5067 35.0198 176.3292 53 R 4.5978 8.0788 121.1980 53.8002 31.7726 174.7386 54 P 4.3174 0.0000 0.0000 63.0978 31.7204 177.1449 55 Q 3.9282 9.0018 121.5409 59.0276 28.7554 178.3968 56 K 4.4504 7.9927 113.7100 57.0676 32.7091 177.1092 57 V 4.2851 7.9198 117.6595 62.8368 32.5008 175.1612 58 Q 4.5759 7.6500 117.7891 55.3061 30.0592 174.7647 59 E 4.9077 8.4702 119.6677 53.6689 32.2612 175.2336 60 E 4.5303 8.6928 122.1989 54.4136 32.2448 174.1178 61 A 4.2909 8.3077 128.8950 50.5386 20.4555 176.0090 62 A 4.3374 8.6971 125.1151 51.3384 19.8392 176.8810 63 T 5.4342 8.0989 112.4698 59.8996 71.9087 173.8407 64 I 4.3356 7.6547 119.8325 60.3623 41.5303 173.3136 65 D 4.9663 8.6470 128.9866 53.5983 42.0863 177.7544 66 V 3.6230 8.4743 116.2305 64.7840 31.5845 178.9704 67 R 3.9984 7.7942 118.5155 59.4289 29.5646 178.2257 68 E 3.9600 8.0832 118.5375 59.0361 29.9554 178.6297 69 I 3.7947 7.5884 119.3731 64.4974 37.3514 177.5761 70 D 4.3025 8.4866 119.1937 57.5532 40.8332 178.0028 71 E 4.2848 7.9831 116.5552 57.9455 29.6645 177.2254 72 N 4.9328 7.7623 115.5698 52.8242 39.8032 176.4457 73 V 3.2105 7.2717 112.6148 64.6720 31.6345 177.9663 74 T 3.9901 7.6204 107.6854 64.6429 68.7100 175.6163 75 L 4.0456 7.7304 120.6750 56.9624 42.3916 177.6547 76 L 4.3355 7.4651 120.4399 53.6853 40.5686 177.0158 77 A 4.1141 7.6704 123.5773 55.1068 19.1775 179.3291 78 A 4.2241 7.8843 116.4814 52.4254 18.1282 176.5834 79 D 4.7761 8.0127 117.9666 54.5459 45.0221 175.0786 80 D 4.2408 7.6986 121.2578 53.3981 40.9785 177.0941 81 V 4.7257 8.0501 125.2711 61.2297 31.0996 175.3795 82 A 4.2806 7.4464 124.6041 51.3234 19.8772 177.3584 83 E 3.7671 8.7723 112.8923 59.2920 29.7987 176.8877 *89 F 4.5819 7.7147 117.7464 57.4705 41.0409 173.7316 90 R 5.2421 8.8624 120.8874 54.6814 32.7750 174.9460 91 V 4.4488 8.7493 125.5116 60.0575 35.1461 174.3114 92 D 4.4964 8.8294 125.0312 52.9156 40.8886 176.2392 93 V 3.6058 8.4888 128.4697 66.3149 31.6029 178.3613 94 R 4.1577 8.0887 117.0836 59.3960 29.8006 177.8441 95 D 4.5535 7.9969 116.9980 55.8403 41.0721 178.6997 96 V 3.7584 7.8976 118.9432 64.5837 32.1374 176.5260 97 V 3.6233 7.2292 117.0673 62.9196 31.9136 175.4289 98 E 4.2596 8.5261 126.1699 56.7218 30.3234 175.4141 99 E 3.7273 8.5304 116.4965 57.7089 26.5254 176.0529 100 A 4.2567 7.8993 123.0272 54.5547 19.6504 180.3944 101 D 4.3451 8.1319 115.1073 57.7801 40.9179 177.3706 102 D 4.5034 8.0307 114.3846 53.9804 39.7194 175.6690 103 A 4.6354 7.0698 122.2955 50.8589 20.2652 177.3021 104 D 4.7236 8.9265 121.2275 57.5102 42.1402 175.8619 105 Y 4.5415 7.2424 113.9886 56.5913 40.9467 172.7930 106 V 4.7033 8.8571 120.5714 61.0689 33.9356 174.2352 107 K 4.6913 8.8597 128.9374 54.5478 35.1644 174.6664 108 V 4.4994 8.2508 127.8224 62.0084 32.9522 174.7528 109 L 4.6058 9.5031 128.9927 52.5946 44.4305 176.6934 110 G 4.4209 8.3307 107.5187 45.9860 0.0000 173.8617 111 A 4.5921 7.7969 122.9691 51.1387 20.8610 176.1154 112 G 3.8979 8.5827 108.7597 44.1778 0.0000 172.5701 113 Q 4.6132 8.4275 116.6344 53.9490 31.7108 175.6458 114 V 4.4973 8.1989 119.7641 61.7395 32.1962 175.2215 115 R 4.6128 9.0439 128.6230 55.8301 30.4811 176.3140 116 H 4.8254 7.8338 112.7803 54.5767 32.8003 172.9574 117 E 4.6490 8.7811 119.7940 55.6619 30.2966 175.4993 118 L 5.1184 8.5963 124.1091 53.1545 45.9843 175.9564 119 T 5.1129 8.7470 118.8312 61.8885 70.3121 172.5198 120 L 5.1544 8.5843 126.0327 53.5620 44.2204 175.8913 121 I 5.6461 8.8685 122.7180 58.8732 40.2878 174.4911 122 A 4.8157 8.7036 127.4237 50.4818 22.3773 176.0532 123 D 4.5122 8.6064 118.5017 57.1657 42.0632 176.5120 124 D 4.8008 7.4993 115.9348 53.1669 44.6573 174.0903 125 F 5.4118 8.7721 121.6156 55.7830 43.3608 174.4899 126 S 4.6133 8.4773 115.8845 57.3854 64.8496 174.8436 127 E 4.0621 9.0035 120.9628 59.5080 29.2834 179.2789 128 G 3.5803 8.0933 105.0612 47.6153 0.0000 175.2554 129 A 4.1102 8.1277 123.3387 55.2937 18.3040 179.7267 130 R 3.7933 8.1700 116.4462 59.0876 30.1044 178.7946 131 E 3.9256 8.2794 118.1512 59.8557 29.4135 180.1685 132 K 3.9837 7.8742 116.6742 59.3103 32.3363 179.4500 133 V 3.7551 7.6869 118.0783 66.1571 31.5155 178.0362 134 E 4.8301 8.0123 120.2228 58.7813 29.1332 179.0364 135 G 3.9065 8.2562 103.0162 45.8589 0.0000 173.5473 136 A 4.6249 7.3179 123.0031 51.5000 19.8558 176.3881 137 G 3.7803 8.3159 104.3048 48.3141 0.0000 173.1725 138 G 4.4689 7.5630 104.6569 44.2591 0.0000 171.9068 139 S 5.0611 8.9283 113.0684 56.2747 66.8500 173.3672 140 V 4.4152 8.1792 120.4760 61.2293 33.6175 174.2788 141 E 4.5864 9.3115 128.6489 54.5940 31.3380 175.1113 142 L 4.9415 8.4933 127.3485 54.7935 43.0707 176.5933 143 T 4.2318 8.5999 122.6950 63.3180 69.4681 175.4146 144 D 4.7248 8.6579 123.9272 56.8807 40.9892 178.6760 145 L 4.1802 7.9109 120.6806 58.0423 42.1328 178.8363 146 G 3.8944 7.4062 102.3576 45.9607 0.0000 173.2722 147 E 4.3959 7.9429 121.8630 56.4706 29.1581 178.1658 148 E 4.2330 7.8435 118.6973 57.8807 30.9123 177.2924 149 R 4.0839 7.8854 117.3851 56.1469 28.2781 176.2444 150 Q 4.2985 8.1094 122.1603 56.7771 29.2875 173.3340 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 T 8.16 4.27 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 2 S 8.37 4.44 0.00 4.09 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 3 K 9.18 4.01 0.00 1.84 1.85 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.53 7.81 4 K 8.14 3.85 0.00 1.84 1.87 0.00 1.73 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.56 1.53 7.81 5 K 7.62 3.98 0.00 1.67 2.04 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.14 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.52 7.81 6 R 7.65 4.28 0.00 1.95 1.93 0.00 3.21 0.00 0.00 3.22 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 7 Q 8.02 4.14 0.00 2.02 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.79 6.96 0.00 0.00 0.00 0.00 0.00 2.55 2.50 0.00 8 R 7.55 4.09 0.00 1.79 1.90 0.00 3.35 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 9 G 8.98 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 10 S 7.96 4.18 0.00 3.99 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 11 R 8.13 4.20 0.00 1.97 2.11 0.00 3.20 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 12 T 7.66 4.36 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 13 H 8.41 4.74 0.00 3.27 3.39 0.00 5.70 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.35 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 15 G 8.44 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 16 G 7.29 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 17 S 8.50 4.25 0.00 3.87 3.73 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 18 H 8.80 4.32 0.00 3.31 3.41 0.00 5.58 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.56 4.00 0.00 1.73 1.81 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.34 1.24 7.81 20 N 7.70 4.36 0.00 2.81 2.58 0.00 0.00 6.96 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 21 R 7.44 4.46 0.00 1.79 1.92 0.00 3.19 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 22 R 7.25 4.61 0.00 1.75 0.99 0.00 3.24 0.00 0.00 3.20 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.53 0.00 23 G 8.52 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 24 A 8.66 4.19 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 25 G 8.08 3.59 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 0.00 0.00 0.00 26 H 7.95 4.47 0.00 3.16 3.48 0.00 5.90 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 R 7.66 4.42 0.00 1.81 1.88 0.00 3.32 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.53 0.00 28 G 8.77 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 29 G 8.43 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 30 R 8.49 4.32 0.00 1.89 1.85 0.00 3.28 0.00 0.00 3.35 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.63 0.00 31 G 8.18 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 32 D 8.66 4.70 0.00 2.74 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 33 A 7.46 3.89 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 G 8.96 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 35 R 7.55 3.90 0.00 1.69 2.06 0.00 2.77 0.00 0.00 3.18 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 36 D 7.72 4.99 0.00 2.72 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 37 K 8.84 4.57 0.00 1.75 1.57 0.00 1.75 0.00 0.00 1.77 0.00 0.00 2.83 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.37 1.52 7.81 38 H 9.80 4.56 0.00 3.32 3.46 0.00 5.50 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 7.55 4.70 0.00 1.90 1.93 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 2.30 2.27 0.00 40 F 8.16 4.54 0.00 3.06 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 41 H 6.17 3.56 0.00 2.95 3.03 0.00 5.80 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 42 N 8.71 4.19 0.00 2.78 2.80 0.00 0.00 6.75 8.16 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 43 H 7.63 4.83 0.00 3.35 3.18 0.00 5.90 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.87 4.08 0.00 1.98 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 2.33 2.31 0.00 45 P 0.00 4.44 0.00 2.19 2.09 0.00 3.79 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 46 L 8.09 4.08 0.00 1.66 1.65 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 47 G 7.85 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 0.00 0.00 0.00 0.00 48 K 8.14 4.65 0.00 1.74 1.72 0.00 1.72 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.39 7.81 49 S 8.16 4.42 0.00 3.77 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 50 G 9.10 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 51 F 8.37 5.03 0.00 3.12 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 52 K 8.43 4.36 0.00 1.71 1.65 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.75 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.22 1.36 7.81 53 R 8.08 4.60 0.00 1.77 1.88 0.00 3.33 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.58 0.00 54 P 0.00 4.32 0.00 2.23 2.22 0.00 3.79 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 2.11 2.04 0.00 55 Q 9.00 3.93 0.00 2.13 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 7.10 0.00 0.00 0.00 0.00 0.00 2.45 2.37 0.00 56 K 7.99 4.45 0.00 1.87 1.91 0.00 1.53 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.43 7.81 57 V 7.92 4.29 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 0.85 0.00 0.00 0.95 0.00 0.00 58 Q 7.65 4.58 0.00 2.14 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.41 0.00 0.00 0.00 0.00 0.00 2.32 2.54 0.00 59 E 8.47 4.91 0.00 2.01 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 2.28 2.27 0.00 60 E 8.69 4.53 0.00 1.96 1.73 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 2.16 2.21 0.00 61 A 8.31 4.29 0.34 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 62 A 8.70 4.34 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 63 T 8.10 5.43 4.18 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 0.00 0.00 0.00 1.11 0.00 0.00 64 I 7.65 4.34 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.24 0.90 0.00 0.00 65 D 8.65 4.97 0.00 2.74 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 66 V 8.47 3.62 2.12 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 0.85 0.00 0.00 1.00 0.00 0.00 67 R 7.79 4.00 0.00 1.91 2.01 0.00 3.08 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.73 0.00 68 E 8.08 3.96 0.00 1.98 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 2.29 2.32 0.00 69 I 7.59 3.79 2.00 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 1.51 0.74 0.89 0.00 0.00 70 D 8.49 4.30 0.00 2.88 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 71 E 7.98 4.28 0.00 2.03 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 0.00 2.34 2.55 0.00 72 N 7.76 4.93 0.00 2.65 2.69 0.00 0.00 6.83 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 73 V 7.27 3.21 0.67 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 0.27 0.00 0.00 0.38 0.00 0.00 74 T 7.62 3.99 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 1.22 0.00 0.00 75 L 7.73 4.05 0.00 1.72 1.75 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 76 L 7.47 4.34 0.00 1.76 1.60 0.85 0.72 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 77 A 7.67 4.11 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 78 A 7.88 4.22 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 79 D 8.01 4.78 0.00 2.81 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 80 D 7.70 4.24 0.00 3.12 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 81 V 8.05 4.73 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 0.60 0.00 0.00 1.10 0.00 0.00 82 A 7.45 4.28 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 83 E 8.77 3.77 0.00 2.04 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 0.00 2.26 2.33 0.00 *89 F 7.71 4.58 0.00 3.10 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 90 R 8.86 5.24 0.00 1.82 1.81 0.00 3.23 0.00 0.00 3.48 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 91 V 8.75 4.45 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 0.67 0.00 0.00 0.94 0.00 0.00 92 D 8.83 4.50 0.00 2.81 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 93 V 8.49 3.61 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 0.68 0.00 0.00 0.96 0.00 0.00 94 R 8.09 4.16 0.00 1.82 2.01 0.00 3.27 0.00 0.00 3.24 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 95 D 8.00 4.55 0.00 2.74 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 96 V 7.90 3.76 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 0.77 0.00 0.00 0.92 0.00 0.00 97 V 7.23 3.62 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 0.81 0.00 0.00 0.96 0.00 0.00 98 E 8.53 4.26 0.00 1.97 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 2.28 2.30 0.00 99 E 8.53 3.73 0.00 2.08 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 0.00 2.18 2.26 0.00 100 A 7.90 4.26 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 0.00 101 D 8.13 4.35 0.00 2.67 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 D 8.03 4.50 0.00 2.77 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 0.00 103 A 7.07 4.64 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 0.00 104 D 8.93 4.72 0.00 2.81 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 0.00 105 Y 7.24 4.54 0.00 3.15 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 0.00 106 V 8.86 4.70 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 0.83 0.00 0.00 0.90 0.00 0.00 107 K 8.86 4.69 0.00 1.85 1.49 0.00 1.93 0.00 0.00 1.60 0.00 0.00 2.82 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.29 1.39 7.81 108 V 8.25 4.50 1.81 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 1.02 0.00 0.00 0.66 0.00 0.00 109 L 9.50 4.61 0.00 1.69 1.56 0.90 0.66 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 0.00 110 G 8.33 4.42 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 0.00 0.00 0.00 111 A 7.80 4.59 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 0.00 112 G 8.58 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 113 Q 8.43 4.61 0.00 2.02 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.84 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 114 V 8.20 4.50 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 1.02 0.00 0.00 0.96 0.00 0.00 115 R 9.04 4.61 0.00 1.74 1.83 0.00 3.23 0.00 0.00 3.21 7.31 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 H 7.83 4.83 0.00 3.26 3.36 0.00 5.69 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.78 4.65 0.00 2.13 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 0.00 2.30 2.37 0.00 118 L 8.60 5.12 0.00 1.65 1.64 1.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 119 T 8.75 5.11 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 1.23 0.00 0.00 120 L 8.58 5.15 0.00 1.89 1.85 1.08 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 121 I 8.87 5.65 2.06 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 1.19 1.40 1.07 0.00 0.00 122 A 8.70 4.82 0.57 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 0.00 123 D 8.61 4.51 0.00 2.89 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 0.00 124 D 7.50 4.80 0.00 2.80 2.58 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 0.00 125 F 8.77 5.41 0.00 2.86 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 0.00 126 S 8.48 4.61 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 0.00 127 E 9.00 4.06 0.00 2.08 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 0.00 2.50 2.40 0.00 128 G 8.09 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 0.00 0.00 0.00 129 A 8.13 4.11 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 0.00 0.00 0.00 0.00 0.00 130 R 8.17 3.79 0.00 2.06 1.92 0.00 3.15 0.00 0.00 3.09 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.63 0.00 131 E 8.28 3.93 0.00 2.17 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 2.35 2.57 0.00 132 K 7.87 3.98 0.00 1.77 1.89 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.63 7.81 133 V 7.69 3.76 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 1.07 0.00 0.00 1.07 0.00 0.00 134 E 8.01 4.83 0.00 2.01 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 2.41 2.13 0.00 135 G 8.26 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 0.00 136 A 7.32 4.62 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 0.00 137 G 8.32 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 0.00 138 G 7.56 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 S 8.93 5.06 0.00 3.82 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 0.00 140 V 8.18 4.42 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 -0.76 0.00 0.00 0.44 0.00 0.00 141 E 9.31 4.59 0.00 2.07 1.89 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 2.24 2.23 0.00 142 L 8.49 4.94 0.00 1.69 1.61 1.28 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 143 T 8.60 4.23 4.43 0.00 0.00 0.00 0.00 0.00 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 0.00 144 D 8.66 4.72 0.00 2.65 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 0.00 145 L 7.91 4.18 0.00 1.71 1.79 0.95 1.00 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 0.00 146 G 7.41 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 0.00 147 E 7.94 4.40 0.00 2.18 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 2.33 2.50 0.00 148 E 7.84 4.23 0.00 1.85 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 0.00 2.17 2.47 0.00 149 R 7.89 4.08 0.00 1.80 1.93 0.00 3.33 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 150 Q 8.11 4.30 0.00 1.99 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.65 0.00 0.00 0.00 0.00 0.00 2.08 2.13 0.00 * Residues marked with a * may have inaccurate shift predictions.