NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 S 4.3788 8.3349 116.7963 58.0996 65.0633 173.5910 -1 S 3.9443 8.0730 116.6325 57.9059 62.9260 173.3315 0 G 3.8266 9.2748 113.6835 44.6177 0.0000 173.3265 1 M 4.1450 8.4567 120.0249 57.6173 31.8037 179.0421 2 S 3.9998 7.9735 113.4372 61.2647 62.5532 175.8169 3 L 3.6436 7.6421 122.2292 58.1054 41.9706 178.5879 4 L 3.2871 7.5246 118.9477 57.8250 41.3379 179.7221 5 T 4.1861 7.9795 111.1534 64.1747 68.5414 176.3873 6 E 3.9334 7.8246 121.4131 59.3029 29.5371 179.5044 7 V 3.6918 7.7224 118.1052 65.9501 31.5832 177.5191 8 E 4.1345 8.4867 118.7256 60.0544 29.3212 179.7158 9 T 3.9981 7.7576 109.4906 64.9459 68.5357 176.2182 10 Y 4.0189 7.6435 118.8359 60.8274 37.7285 178.2301 11 V 3.8338 8.1027 119.1636 66.1389 31.7656 178.1071 12 L 4.1769 8.3294 118.7987 57.2949 41.2109 179.3776 13 S 4.2716 7.7758 113.5599 60.3387 62.9589 175.4108 14 I 4.2601 7.2323 113.7541 59.9611 38.2541 175.2516 15 I 4.2868 6.9823 122.8166 59.1290 38.1514 173.9967 16 P 4.4029 0.0000 0.0000 62.5155 31.7780 176.4991 17 S 4.1838 8.5273 116.7457 58.5129 63.4250 174.2694 18 G 4.3200 8.5557 109.9080 42.8534 0.0000 171.9498 19 P 4.2799 0.0000 0.0000 65.7218 30.7545 178.2008 20 L 3.9958 7.9253 119.5895 57.9898 42.0536 178.6303 21 K 3.9392 8.1560 118.7823 59.5666 32.1262 178.3105 22 A 4.0689 7.9095 120.7926 55.2016 18.2651 179.5168 23 E 3.9643 8.3043 117.0925 59.6216 29.5944 179.6183 24 I 3.9095 8.3913 120.0185 64.3113 37.1868 178.1448 25 A 3.9829 8.4567 122.0576 55.3580 18.1857 179.5018 26 Q 3.8562 8.0679 117.8328 59.2520 29.0725 178.5482 27 K 3.7423 8.0405 119.4965 59.3138 31.9400 179.2596 28 L 3.7205 8.3132 119.6127 57.6744 41.5314 179.1599 29 E 3.9181 8.1562 119.1260 59.4361 29.5829 178.6520 30 D 4.3144 8.1290 118.8883 57.2917 40.9985 179.0114 31 V 3.7105 7.8695 118.8740 66.1642 31.3658 178.1808 32 F 4.6654 8.2551 116.3697 60.5199 38.8243 177.0873 33 A 4.3089 8.1448 119.0441 52.8153 18.3274 177.9685 34 G 3.7683 8.0592 107.2560 46.9809 0.0000 175.0217 35 K 4.3611 8.3894 119.3079 53.8967 32.2791 179.0525 36 N 4.7540 7.7487 117.4010 54.0984 40.8895 173.5763 37 T 4.4952 8.4470 114.5573 61.3113 69.6056 175.0078 38 D 4.5740 8.0879 124.0023 53.3608 39.6356 176.1277 39 L 4.0357 8.1813 129.1544 58.0438 42.4435 178.3786 40 E 4.0292 8.2344 117.6628 61.2815 29.6906 181.0644 41 A 4.2369 8.1584 121.6125 54.8514 18.4102 179.5250 42 L 3.9467 7.8753 117.4487 58.2677 41.5637 179.7350 43 M 4.4253 8.6492 119.0789 58.4145 32.0112 178.4401 44 E 3.8704 8.5449 119.6616 58.8591 29.6034 178.5489 45 W 4.1124 8.4792 127.6923 60.4999 31.1681 177.4531 46 L 4.1048 8.5486 119.0505 57.9576 40.9901 179.4124 47 K 3.2435 7.7798 118.3075 59.1145 32.0331 177.8435 48 T 4.1598 7.2300 106.6537 60.8504 69.5606 175.1549 49 R 3.6748 6.8344 122.3104 55.4541 30.4950 174.9647 50 P 4.4403 0.0000 0.0000 62.8034 32.9519 175.7931 51 I 3.6428 8.4889 123.0198 62.1086 35.3350 174.9297 52 L 4.0728 7.5870 118.3919 54.5757 42.1777 177.9562 53 S 4.3628 8.4588 117.9617 57.4045 65.1293 173.3812 54 P 4.2601 0.0000 0.0000 66.0979 31.0516 178.6992 55 L 3.9025 7.8811 118.2346 58.3339 42.0014 178.8609 56 T 3.8544 7.7444 115.4652 66.6698 68.3276 176.6893 57 K 4.1611 8.2539 120.4621 59.3552 32.0306 179.6351 58 G 3.4189 8.3130 106.1879 47.7323 0.0000 175.8204 59 I 3.7113 7.9487 122.5731 64.0872 37.0824 178.5038 60 L 3.7966 8.0833 119.9558 57.6907 41.4476 179.8839 61 G 3.6651 8.3271 105.8880 47.6472 0.0000 175.4837 62 F 4.2331 8.3582 123.1689 61.1169 39.5287 177.4253 63 V 3.8220 8.2136 118.0211 66.0233 31.3915 177.8349 64 F 4.6757 8.3460 117.8437 61.3439 38.6415 177.6764 65 T 3.9697 8.0086 113.7159 66.7932 68.3022 176.0732 66 L 3.8935 7.9140 121.6245 57.4778 42.1817 178.1649 67 T 4.4843 7.7319 106.8046 60.8120 69.7439 174.5149 68 V 4.1708 7.3764 122.5091 60.8414 32.0251 173.1934 69 P 4.0409 0.0000 0.0000 65.4740 31.8472 175.7847 70 S 4.4251 7.3690 111.7188 57.3073 66.1076 173.8957 *76 R 4.2938 8.6719 124.4667 56.1344 31.5120 176.0966 77 R 4.4523 7.9320 119.1297 55.1073 30.7973 177.1981 78 R 3.9761 8.8056 125.1755 59.4717 30.1170 178.2847 79 F 4.2538 8.4104 114.0541 59.5602 38.0115 177.7058 80 V 2.8110 6.6359 118.2490 65.6932 31.3721 177.8082 81 Q 3.8270 7.4486 117.4204 59.0855 28.3328 178.6941 82 N 4.3767 8.1715 116.3332 56.2620 38.6207 177.0580 83 A 4.0962 7.9326 121.4438 54.7937 18.5092 179.0764 84 L 4.1632 7.5800 118.7284 56.3439 42.4534 178.0651 85 N 4.4858 7.9779 116.3668 51.7547 38.3416 178.7316 *89 D 4.7303 8.5369 120.8537 52.0012 41.8658 175.9492 90 P 4.2806 0.0000 0.0000 66.7811 30.9554 178.7520 91 N 4.4083 8.1175 118.7433 57.0864 37.4609 178.5724 92 N 4.5909 8.1064 117.9502 56.5734 38.5780 177.2518 93 M 4.4209 8.2987 121.7873 58.0842 31.8191 178.6131 94 D 4.4016 7.8879 117.9400 57.3540 41.2592 178.7131 95 R 4.2220 8.0226 118.3243 58.6558 30.0751 178.7236 96 A 3.9484 7.7193 121.2048 55.0324 18.2973 179.8462 97 V 3.6470 7.7497 116.3070 66.1006 31.7464 178.2878 98 K 4.0195 8.0536 117.8206 59.2713 31.9441 178.9352 99 L 3.6245 8.0322 120.6110 58.1353 41.9357 178.1115 100 Y 4.1942 8.2838 119.8882 60.9518 38.4378 178.4066 101 K 3.6523 7.8977 117.7078 59.2937 32.5326 179.1719 102 K 4.0739 7.9257 118.6120 59.5361 32.1418 179.4805 103 L 3.9749 8.2266 119.5735 57.5810 41.2420 179.6018 104 K 3.8224 7.7241 117.7706 58.9672 31.9730 178.5516 105 R 4.2843 7.4171 115.6997 55.8781 30.7988 176.5651 106 E 4.4098 7.2294 118.6567 55.8357 30.6657 176.9479 107 I 4.2758 8.2968 119.7379 62.2303 39.8974 176.9132 108 T 4.7897 7.4346 109.4392 59.6723 72.1406 175.1358 109 F 4.2798 9.0548 123.7426 62.2458 39.4096 177.2839 110 H 4.3258 8.4984 115.1245 58.3365 28.4937 177.8854 111 G 3.6893 8.6881 109.2304 47.1432 0.0000 175.7105 112 A 3.9169 7.8824 123.2458 54.5928 18.3898 179.5732 113 K 3.5948 7.8542 118.2734 59.4629 31.9805 178.4483 114 E 3.8966 7.9611 118.2832 59.3325 29.6457 178.6874 115 V 3.7674 7.5548 117.7363 66.1015 31.5632 177.8781 116 A 4.0267 8.2283 120.7603 55.0712 17.9966 179.4634 117 L 4.0418 8.0153 116.5695 57.0395 41.7066 178.7265 118 S 4.5098 7.6100 111.3025 58.0271 63.5302 173.2414 119 Y 4.5794 7.4634 120.4708 56.2621 40.3392 176.1069 120 S 4.4841 8.2843 116.3364 58.1605 65.4289 175.2366 121 T 3.9450 8.5400 119.8596 66.9207 68.1721 176.7636 122 G 3.6768 8.1701 106.6602 47.9967 0.0000 175.3453 123 A 4.4823 7.7123 124.8833 54.1856 18.3175 179.7859 124 L 3.7827 8.1463 117.3588 57.7520 41.7388 179.3966 125 A 3.8267 8.1968 121.0845 55.3113 18.4258 179.6066 126 S 3.9656 8.1380 111.5971 61.6622 62.4175 175.9082 127 C 4.0359 8.2500 121.5755 62.6491 31.1861 175.3754 128 M 3.6918 8.0974 120.5807 58.0411 31.0635 178.8564 129 G 3.6100 7.9810 105.7541 47.7730 0.0000 175.4977 130 L 3.8699 7.5723 120.3573 57.6993 41.8703 179.5983 131 I 3.8403 7.7967 119.5355 64.3398 36.7897 177.6683 132 Y 4.2507 8.4569 120.2106 60.7267 38.6872 177.3004 133 N 4.6494 7.7426 113.6439 53.2324 40.0316 175.1900 134 R 4.7019 8.1254 120.0629 55.2098 31.1177 175.4062 135 M 4.1046 7.7236 117.1079 56.9478 32.8082 177.8242 136 G 3.9639 8.9429 111.5474 45.5606 0.0000 174.0281 137 T 4.2613 7.4418 108.2229 62.4556 69.4938 174.9536 138 V 4.5466 7.3069 114.3867 58.7404 35.6903 175.7791 139 T 4.1290 8.1015 111.9607 61.8432 70.6736 175.6277 140 T 3.6047 8.3206 118.8988 66.8759 68.4367 176.6718 141 E 4.2376 8.1922 119.9861 59.4611 29.5475 179.5085 142 V 3.5477 7.7925 117.9870 65.8606 31.6265 177.8431 143 A 4.1063 8.1439 120.6611 55.4392 18.1376 179.6819 144 F 4.7890 8.5804 116.7405 60.6916 38.9437 178.0492 145 G 2.9009 8.5901 105.9178 47.3945 0.0000 175.4485 146 L 3.7929 7.8662 122.6543 57.7698 42.0611 179.0350 147 V 3.5343 7.7167 118.1457 66.5298 31.4338 177.8787 148 C 3.8626 8.3534 116.3355 62.3696 27.8967 175.9446 149 A 3.8790 7.8828 122.6228 55.2652 17.9400 179.8465 150 T 3.7679 7.9699 114.2179 67.0864 68.5038 176.5955 151 C 4.1492 8.3452 118.9329 62.8892 28.1543 175.8947 152 E 4.0753 8.5142 120.8433 59.5579 29.0482 178.9833 153 Q 4.0488 7.8068 116.4894 58.8863 29.1580 178.5466 154 I 3.8541 7.9200 120.6163 64.4340 37.0990 178.3673 155 A 4.2434 8.3308 121.8699 55.3198 17.9859 179.2140 156 D 4.4775 8.1258 116.2478 56.3401 41.0681 178.0075 157 S 4.5153 7.5827 112.5855 58.8687 63.6640 174.1467 158 Q 4.1632 7.6065 126.7143 56.3420 28.5669 175.5215 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 S 8.33 4.38 0.00 3.88 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 -1 S 8.07 3.94 0.00 3.98 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 G 9.27 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 1 M 8.46 4.14 0.00 2.03 2.12 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 2.70 2.54 0.00 2 S 7.97 4.00 0.00 3.84 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 3 L 7.64 3.64 0.00 1.65 1.68 0.68 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 4 L 7.52 3.29 0.00 1.59 1.30 0.87 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 5 T 7.98 4.19 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 1.33 0.00 0.00 6 E 7.82 3.93 0.00 2.03 1.90 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 2.28 2.32 0.00 7 V 7.72 3.69 1.71 0.00 0.00 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 0.15 0.00 0.00 8 E 8.49 4.13 0.00 2.34 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 2.55 3.00 0.00 9 T 7.76 4.00 4.14 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 1.26 0.00 0.00 10 Y 7.64 4.02 0.00 3.16 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 11 V 8.10 3.83 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 1.06 0.00 0.00 1.14 0.00 0.00 12 L 8.33 4.18 0.00 1.80 1.72 0.94 0.69 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 13 S 7.78 4.27 0.00 3.99 4.14 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 14 I 7.23 4.26 1.90 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 1.79 0.69 0.98 0.00 0.00 15 I 6.98 4.29 1.90 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 1.51 0.89 0.94 0.00 0.00 16 P 0.00 4.40 0.00 2.18 2.06 0.00 3.78 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 1.99 1.99 0.00 17 S 8.53 4.18 0.00 3.89 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 18 G 8.56 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 0.00 0.00 0.00 0.00 19 P 0.00 4.28 0.00 2.31 2.35 0.00 3.72 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.04 0.00 20 L 7.93 4.00 0.00 1.75 1.74 0.92 0.58 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 21 K 8.16 3.94 0.00 2.07 2.01 0.00 2.07 0.00 0.00 1.84 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.54 1.55 7.81 22 A 7.91 4.07 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 23 E 8.30 3.96 0.00 2.48 2.28 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 2.41 2.62 0.00 24 I 8.39 3.91 2.14 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.06 1.04 0.00 0.00 25 A 8.46 3.98 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 26 Q 8.07 3.86 0.00 2.17 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.75 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 27 K 8.04 3.74 0.00 1.80 1.54 0.00 0.61 0.00 0.00 0.76 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.99 1.08 7.81 28 L 8.31 3.72 0.00 1.74 1.28 0.89 0.51 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 29 E 8.16 3.92 0.00 2.11 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 2.31 2.38 0.00 30 D 8.13 4.31 0.00 2.76 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 31 V 7.87 3.71 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 1.21 0.00 0.00 0.62 0.00 0.00 32 F 8.26 4.67 0.00 3.08 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 33 A 8.14 4.31 1.42 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 34 G 8.06 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 K 8.39 4.36 0.00 1.73 1.70 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.68 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.31 1.22 7.81 36 N 7.75 4.75 0.00 2.51 2.56 0.00 0.00 6.86 7.70 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 37 T 8.45 4.50 4.23 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 1.21 0.00 0.00 38 D 8.09 4.57 0.00 2.78 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.18 4.04 0.00 1.82 1.68 1.08 1.03 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 40 E 8.23 4.03 0.00 2.01 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 2.32 1.96 0.00 41 A 8.16 4.24 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 42 L 7.88 3.95 0.00 1.84 1.50 0.56 0.16 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 43 M 8.65 4.43 0.00 2.36 2.42 0.00 0.00 0.00 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 3.05 0.00 44 E 8.54 3.87 0.00 2.16 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 2.32 2.31 0.00 45 W 8.48 4.11 0.00 3.36 3.49 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 46 L 8.55 4.10 0.00 2.34 2.02 1.33 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 47 K 7.78 3.24 0.00 0.79 1.61 0.00 1.32 0.00 0.00 1.48 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.11 0.71 7.81 48 T 7.23 4.16 4.12 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 1.15 0.00 0.00 49 R 6.83 3.67 0.00 1.69 1.59 0.00 2.21 0.00 0.00 2.69 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.64 0.00 50 P 0.00 4.44 0.00 2.12 2.01 0.00 3.67 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.91 0.00 51 I 8.49 3.64 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.38 0.90 0.00 0.00 52 L 7.59 4.07 0.00 1.60 1.61 0.88 0.87 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 53 S 8.46 4.36 0.00 4.04 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 54 P 0.00 4.26 0.00 2.18 2.18 0.00 3.60 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 55 L 7.88 3.90 0.00 1.68 1.65 0.89 0.81 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 56 T 7.74 3.85 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 57 K 8.25 4.16 0.00 2.13 2.16 0.00 1.75 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.53 1.64 7.81 58 G 8.31 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 0.00 0.00 0.00 59 I 7.95 3.71 2.01 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 1.46 0.69 0.95 0.00 0.00 60 L 8.08 3.80 0.00 1.79 1.41 0.99 0.57 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 61 G 8.33 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 0.00 0.00 0.00 62 F 8.36 4.23 0.00 3.10 3.26 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 63 V 8.21 3.82 2.27 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 1.35 0.00 0.00 1.29 0.00 0.00 64 F 8.35 4.68 0.00 3.32 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 65 T 8.01 3.97 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 1.07 0.00 0.00 66 L 7.91 3.89 0.00 1.45 1.79 0.54 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 67 T 7.73 4.48 4.57 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 1.52 0.00 0.00 68 V 7.38 4.17 2.19 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 0.83 0.00 0.00 1.02 0.00 0.00 69 P 0.00 4.04 0.00 2.07 2.04 0.00 3.75 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 70 S 7.37 4.43 0.00 3.90 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *76 R 8.67 4.29 0.00 1.72 2.06 0.00 3.44 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 77 R 7.93 4.45 0.00 2.02 1.99 0.00 3.66 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 2.01 0.00 78 R 8.81 3.98 0.00 1.99 2.04 0.00 3.27 0.00 0.00 3.43 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.80 0.00 79 F 8.41 4.25 0.00 3.29 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 80 V 6.64 2.81 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.00 0.00 0.01 0.00 0.00 81 Q 7.45 3.83 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.57 0.00 0.00 0.00 0.00 0.00 2.46 2.64 0.00 82 N 8.17 4.38 0.00 2.77 2.89 0.00 0.00 7.05 8.20 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 83 A 7.93 4.10 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 84 L 7.58 4.16 0.00 1.50 1.81 0.70 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 85 N 7.98 4.49 0.00 2.69 2.60 0.00 0.00 7.01 7.95 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 *89 D 8.54 4.73 0.00 2.83 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 90 P 0.00 4.28 0.00 2.28 2.35 0.00 3.70 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.03 0.00 91 N 8.12 4.41 0.00 2.75 2.87 0.00 0.00 6.88 6.91 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 92 N 8.11 4.59 0.00 2.92 3.02 0.00 0.00 7.16 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 93 M 8.30 4.42 0.00 2.03 2.26 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.42 0.00 94 D 7.89 4.40 0.00 2.84 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 R 8.02 4.22 0.00 1.94 2.29 0.00 3.10 0.00 0.00 3.18 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.83 0.00 96 A 7.72 3.95 1.43 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 0.00 0.00 0.00 97 V 7.75 3.65 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 1.13 0.00 0.00 0.95 0.00 0.00 98 K 8.05 4.02 0.00 2.13 1.95 0.00 1.80 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.58 1.56 7.81 99 L 8.03 3.62 0.00 0.63 1.47 0.39 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 100 Y 8.28 4.19 0.00 3.02 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 0.00 101 K 7.90 3.65 0.00 2.16 1.79 0.00 1.88 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.48 1.36 7.81 102 K 7.93 4.07 0.00 1.95 1.82 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.65 7.81 103 L 8.23 3.97 0.00 1.74 1.67 0.86 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 104 K 7.72 3.82 0.00 1.65 1.69 0.00 0.79 0.00 0.00 1.31 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.20 0.73 7.81 105 R 7.42 4.28 0.00 1.92 1.93 0.00 3.12 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.72 0.00 106 E 7.23 4.41 0.00 2.13 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 2.47 2.38 0.00 107 I 8.30 4.28 1.88 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 1.47 0.89 0.93 0.00 0.00 108 T 7.43 4.79 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 1.25 0.00 0.00 109 F 9.05 4.28 0.00 3.25 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 0.00 110 H 8.50 4.33 0.00 3.33 3.38 0.00 5.68 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 G 8.69 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 0.00 0.00 0.00 112 A 7.88 3.92 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 0.00 113 K 7.85 3.59 0.00 1.42 1.62 0.00 0.90 0.00 0.00 1.38 0.00 0.00 2.68 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.30 1.14 7.81 114 E 7.96 3.90 0.00 2.11 2.13 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 2.34 2.38 0.00 115 V 7.55 3.77 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 0.97 0.00 0.00 0.96 0.00 0.00 116 A 8.23 4.03 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 0.00 117 L 8.02 4.04 0.00 1.65 1.77 0.99 0.86 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 0.00 118 S 7.61 4.51 0.00 3.99 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 0.00 119 Y 7.46 4.58 0.00 3.03 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 0.00 120 S 8.28 4.48 0.00 4.06 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 0.00 121 T 8.54 3.94 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 1.20 0.00 0.00 122 G 8.17 3.68 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 0.00 0.00 0.00 123 A 7.71 4.48 1.47 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 0.00 124 L 8.15 3.78 0.00 1.83 1.64 0.97 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 125 A 8.20 3.83 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 0.00 126 S 8.14 3.97 0.00 3.93 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 0.00 127 C 8.25 4.04 0.00 3.01 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 0.00 128 M 8.10 3.69 0.00 1.29 1.91 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 1.87 0.00 129 G 7.98 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 0.00 130 L 7.57 3.87 0.00 1.59 1.15 0.91 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 131 I 7.80 3.84 2.04 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.79 1.17 0.00 0.00 132 Y 8.46 4.25 0.00 3.28 3.28 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 0.00 133 N 7.74 4.65 0.00 2.73 2.81 0.00 0.00 6.82 7.33 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 0.00 134 R 8.13 4.70 0.00 1.80 1.87 0.00 2.86 0.00 0.00 3.09 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.50 0.00 135 M 7.72 4.10 0.00 1.89 1.89 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 136 G 8.94 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 T 7.44 4.26 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 1.31 0.00 0.00 138 V 7.31 4.55 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 0.85 0.00 0.00 0.99 0.00 0.00 139 T 8.10 4.13 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 1.20 0.00 0.00 140 T 8.32 3.60 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 0.81 0.00 0.00 141 E 8.19 4.24 0.00 2.09 2.28 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 2.55 2.45 0.00 142 V 7.79 3.55 2.21 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 1.06 0.00 0.00 1.01 0.00 0.00 143 A 8.14 4.11 1.35 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 0.00 0.00 0.00 144 F 8.58 4.79 0.00 3.43 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 0.00 145 G 8.59 2.90 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 0.00 146 L 7.87 3.79 0.00 1.70 1.82 0.78 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 147 V 7.72 3.53 2.46 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 1.22 0.00 0.00 1.25 0.00 0.00 148 C 8.35 3.86 0.00 2.50 1.42 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 0.00 149 A 7.88 3.88 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 0.00 150 T 7.97 3.77 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 1.16 0.00 0.00 151 C 8.35 4.15 0.00 3.24 3.30 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 0.00 152 E 8.51 4.08 0.00 2.36 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.50 0.00 153 Q 7.81 4.05 0.00 2.26 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.73 0.00 0.00 0.00 0.00 0.00 2.42 2.66 0.00 154 I 7.92 3.85 2.02 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 1.46 1.05 0.93 0.00 0.00 155 A 8.33 4.24 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 0.00 156 D 8.13 4.48 0.00 2.77 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 0.00 157 S 7.58 4.52 0.00 4.06 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 0.00 158 Q 7.61 4.16 0.00 2.25 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.54 0.00 * Residues marked with a * may have inaccurate shift predictions.