NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2616 8.3144 119.9989 56.0324 33.9612 174.7668 2 E 3.8373 8.4928 120.3912 54.4517 30.0781 175.6431 3 T 4.1910 8.7481 118.4438 61.3603 72.1357 174.9476 4 A 4.0304 8.5560 123.6437 55.2937 18.5572 180.0658 5 A 4.1408 7.9890 118.7292 55.3505 18.5998 179.6019 6 A 4.0405 8.1664 119.4027 55.0431 18.3335 179.8134 7 K 4.0653 8.3481 118.4275 59.4445 32.2098 178.8545 8 F 4.0808 8.2888 120.9375 61.4642 39.5076 176.9623 9 E 4.0500 8.3071 117.8527 59.3349 28.9933 179.4728 10 R 3.8719 7.8576 117.8453 59.6435 30.3241 178.2988 11 Q 3.9363 7.9956 116.4998 57.9023 29.0002 176.3038 12 H 4.6763 8.0556 114.5201 54.1374 31.5506 173.3447 13 M 4.6946 7.7276 118.3328 53.7293 33.5367 176.6583 14 D 4.8128 8.9060 123.2313 53.2998 41.5965 175.6752 15 S 4.6471 8.4420 116.3093 59.5374 63.9543 175.8074 16 S 4.2537 8.3298 115.4135 60.8090 62.6580 174.5410 17 T 4.5977 7.6395 108.8645 59.4143 70.8549 173.9654 18 S 4.4761 8.2208 115.0855 58.4546 63.9239 173.4730 19 A 4.1349 6.9438 121.2996 51.2074 21.5463 176.6853 20 A 3.2360 7.7460 122.5004 51.2950 19.9939 176.0472 *22 S 4.2939 8.2141 110.1598 58.5712 63.9451 173.9601 23 S 4.5567 8.5601 112.9403 59.3260 63.3342 174.3704 24 N 4.8020 7.8288 118.8288 53.7219 38.7245 175.1453 25 Y 3.9910 7.5693 119.7405 61.8631 38.8254 177.6075 26 C 4.0993 8.2950 116.7111 60.0624 38.5530 175.9531 27 N 4.3767 8.1555 117.6151 56.2400 38.1540 177.0771 28 Q 4.0573 7.7970 120.4314 59.2506 29.3452 177.9711 29 M 3.6552 7.7858 120.0225 58.5001 31.8787 178.7341 30 M 4.0796 8.1442 119.1728 57.8721 31.9520 178.8093 31 K 4.0787 7.3836 120.7609 58.8130 32.2800 178.9131 32 S 4.1648 7.8220 111.9947 60.5046 62.2184 175.2492 33 R 4.4518 7.4755 118.4560 54.9917 30.1522 175.6795 34 N 4.2432 7.8232 114.3208 54.6004 36.7432 174.7561 35 L 4.5318 8.0059 116.2028 55.0648 41.8053 177.8308 36 T 4.9953 7.8542 106.5542 59.8041 69.9945 175.7666 37 K 4.1240 8.4110 122.8820 59.7542 32.9647 177.3936 38 D 4.7833 7.9527 117.4380 54.8854 42.7072 176.2584 39 R 3.7776 7.0901 112.5005 54.7036 31.8767 174.4577 40 C 4.6114 8.4959 117.3254 56.1402 40.5627 173.6356 41 K 4.1869 8.6730 127.4392 55.7143 32.1789 174.3448 42 P 4.6758 0.0000 0.0000 65.4085 31.9546 176.2685 43 V 4.9786 7.5844 116.6612 61.2636 34.5166 173.6870 44 N 4.7786 8.9408 123.8305 52.7859 42.8529 172.9590 45 T 4.8546 7.8311 120.0340 61.5977 72.2984 172.6161 46 F 4.8460 8.9725 124.4876 55.6380 42.0774 174.5245 47 V 4.5030 9.0778 124.0226 61.7872 33.1060 175.5966 48 H 5.5227 8.9864 124.1300 55.4616 29.3690 175.3099 49 E 4.3713 8.0522 118.7402 55.1331 30.7892 176.7914 50 S 4.4146 8.2650 114.6748 58.1539 65.0770 174.8113 51 L 4.0006 8.5337 124.2162 58.3300 41.9029 179.1358 52 A 4.0062 7.9920 120.2131 55.4255 18.1639 179.2378 53 D 4.3369 7.8109 115.8048 57.3994 41.2705 178.9055 54 V 3.7994 7.8540 118.7728 66.0619 31.6847 178.2191 55 Q 3.9392 8.5932 117.9848 58.6199 28.5199 178.3992 56 A 4.0392 7.9775 121.5255 54.5212 18.2565 179.6209 57 V 3.4536 7.4596 116.6712 66.0163 31.2914 176.8621 58 C 3.7105 7.6411 114.0649 57.7458 39.8822 174.0642 59 S 4.6412 7.5024 114.2592 57.9322 63.9559 174.3541 60 Q 4.0510 7.2090 121.0364 56.0456 30.1977 178.4098 61 K 4.2702 8.3719 134.4883 56.8013 32.7964 174.8533 62 N 4.4783 8.8042 127.7335 53.6393 39.4706 174.2746 63 V 4.5966 8.4830 118.5858 59.3213 36.6764 174.8834 64 A 4.4801 8.3663 124.2528 51.8949 19.5977 178.1772 65 C 4.7481 8.6020 118.4125 55.5184 41.5568 175.1960 66 K 3.7950 8.6949 122.9131 59.5566 31.6966 177.6376 67 N 4.4703 7.9522 113.6775 53.2324 37.7467 175.5621 68 G 4.0383 7.7574 106.8241 45.4842 0.0000 174.3851 69 Q 4.1688 8.4319 119.4515 56.2980 29.2238 176.5277 70 T 4.5458 8.3348 109.5943 61.7161 69.1801 174.1998 71 N 4.9581 7.8443 118.7131 53.5798 38.7124 174.6480 72 C 5.1999 7.4479 116.1069 56.6653 44.0430 172.5444 73 Y 5.1330 8.8940 119.4821 56.2904 41.7606 173.9765 74 Q 5.0366 9.1448 125.5602 54.1794 31.2649 174.8548 75 S 4.4343 8.7902 122.0707 58.6446 63.2264 174.2365 76 Y 4.5292 9.2940 122.0402 60.8140 37.9080 176.7660 77 S 4.8389 7.8688 113.8667 56.9313 64.9322 173.6629 78 T 4.2505 8.0732 112.4193 61.9352 69.8780 173.7503 79 M 4.8812 9.0525 122.8229 53.3173 36.3322 174.9277 80 S 4.8742 9.3765 117.8785 58.4475 63.5086 173.0154 81 I 5.1763 8.9420 120.4532 59.4430 41.6909 174.2948 82 T 5.0908 8.8690 118.8621 62.0103 72.2486 172.7268 83 D 5.0573 9.3254 126.9591 53.1047 43.0733 174.7083 84 C 5.5274 9.3185 121.7170 55.2013 43.7156 173.0452 85 R 5.2604 8.7173 123.9266 54.2022 33.2286 173.8792 86 E 4.1655 9.2082 128.4438 56.4834 29.8723 176.8263 87 T 4.2547 8.4368 116.7843 60.9169 69.8552 175.8417 88 G 3.7068 8.5050 110.7124 47.4521 0.0000 174.5803 89 S 4.5007 7.7478 112.5804 58.2086 64.0320 174.4326 90 S 4.1574 7.3809 116.2468 58.1663 62.6821 173.1481 91 K 4.5613 8.2696 127.2375 54.4456 35.0196 174.6624 92 Y 4.2672 8.6608 127.5187 57.1031 39.2255 174.0451 93 P 3.3700 0.0000 0.0000 63.7570 31.7756 176.7482 94 N 4.6593 7.3033 117.8826 52.0317 37.1944 172.7669 95 C 4.4143 8.2867 118.7518 56.2599 40.1991 173.0426 96 A 5.0668 8.7630 125.8487 50.3697 21.3703 174.6264 97 Y 5.1627 9.4646 119.7576 56.0144 42.0524 174.8220 98 K 4.6451 9.0429 123.0470 55.2724 34.5930 174.9888 99 T 4.7247 8.5566 123.6538 62.5746 70.2617 174.2178 100 T 4.6125 8.6838 122.5467 61.8620 72.0502 173.4122 101 Q 4.7623 8.8357 125.4959 55.8188 30.0307 175.0584 102 A 4.5527 8.5785 122.4830 51.3984 23.5710 175.2759 103 N 5.3338 8.7400 115.9969 51.5650 40.8251 174.0021 104 K 4.7841 8.7115 121.9113 54.5562 37.6201 175.5186 105 H 4.8738 9.0785 118.9760 55.7839 30.0100 174.7891 106 I 4.8437 8.6125 115.3689 59.2152 40.6728 174.3954 107 I 4.8347 8.1372 125.0470 59.7449 39.7524 175.0712 108 V 4.7924 8.6375 119.5208 59.3359 36.2097 174.3950 109 A 4.9910 8.7486 124.9426 50.9940 20.6736 175.5954 110 C 5.1020 8.7259 119.6807 55.2028 40.3401 173.0455 111 E 4.6509 8.7173 122.0943 56.4228 33.6028 175.3408 112 G 3.8033 9.0682 110.8247 44.9494 0.0000 171.6744 113 N 5.0451 8.2707 116.4904 50.5971 40.0874 172.1719 114 P 4.3616 0.0000 0.0000 62.6201 32.0187 176.1814 115 Y 4.6834 8.3311 121.5854 57.5115 38.1266 174.6879 116 V 4.4434 7.9935 118.6751 58.0761 36.4607 173.2879 117 P 4.4900 0.0000 0.0000 62.8624 31.2361 176.9955 118 V 4.4850 8.5939 114.9413 61.1900 33.8116 175.2130 119 H 4.9640 7.8480 119.4373 55.0193 33.4057 171.8236 120 F 4.6979 8.7479 128.1169 57.3834 39.4306 174.6278 121 D 4.5407 8.5756 126.9303 56.3245 41.6754 175.6407 122 A 4.5982 6.6973 117.2568 51.4356 22.8394 174.4065 123 S 4.9758 8.7324 112.8862 56.8539 65.7187 174.8020 124 V 4.1206 8.6607 117.0862 61.2880 31.8823 175.6555 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 K 8.31 4.26 0.00 1.89 1.92 0.00 1.56 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.45 7.81 2 E 8.49 3.84 0.00 2.04 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 2.32 2.38 0.00 3 T 8.75 4.19 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 1.23 0.00 0.00 4 A 8.56 4.03 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.99 4.14 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 6 A 8.17 4.04 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 7 K 8.35 4.07 0.00 1.98 2.03 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.45 7.81 8 F 8.29 4.08 0.00 3.29 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 9 E 8.31 4.05 0.00 2.31 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 2.53 2.69 0.00 10 R 7.86 3.87 0.00 1.82 2.09 0.00 3.35 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 11 Q 8.00 3.94 0.00 1.49 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.48 0.00 0.00 0.00 0.00 0.00 2.23 2.44 0.00 12 H 8.06 4.68 0.00 1.87 2.62 0.00 5.60 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 13 M 7.73 4.69 0.00 1.99 2.17 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.69 0.00 14 D 8.91 4.81 0.00 2.74 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 15 S 8.44 4.65 0.00 3.94 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 16 S 8.33 4.25 0.00 3.98 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 17 T 7.64 4.60 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 1.20 0.00 0.00 18 S 8.22 4.48 0.00 3.97 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 19 A 6.94 4.13 1.11 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 0.00 0.00 0.00 0.00 0.00 0.00 20 A 7.75 3.24 0.61 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 *22 S 8.21 4.29 0.00 4.06 4.11 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 0.00 0.00 0.00 0.00 23 S 8.56 4.56 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 24 N 7.83 4.80 0.00 2.87 2.82 0.00 0.00 6.76 7.22 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 25 Y 7.57 3.99 0.00 3.23 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 26 C 8.29 4.10 0.00 3.15 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 27 N 8.16 4.38 0.00 2.91 2.92 0.00 0.00 6.79 7.74 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 28 Q 7.80 4.06 0.00 2.13 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.82 0.00 0.00 0.00 0.00 0.00 2.21 2.31 0.00 29 M 7.79 3.66 0.00 0.89 1.24 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.71 0.00 30 M 8.14 4.08 0.00 1.68 1.79 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 2.39 0.00 31 K 7.38 4.08 0.00 1.89 1.90 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.31 7.81 32 S 7.82 4.16 0.00 3.92 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 33 R 7.48 4.45 0.00 1.90 2.03 0.00 3.68 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.03 0.00 34 N 7.82 4.24 0.00 2.89 2.90 0.00 0.00 6.85 7.88 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 35 L 8.01 4.53 0.00 1.84 1.65 0.78 0.37 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 36 T 7.85 5.00 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 1.42 0.00 0.00 37 K 8.41 4.12 0.00 1.94 2.03 0.00 1.56 0.00 0.00 1.72 0.00 0.00 2.85 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.60 1.49 7.81 38 D 7.95 4.78 0.00 2.61 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 R 7.09 3.78 0.00 1.72 1.67 0.00 2.90 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 40 C 8.50 4.61 0.00 3.08 3.14 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 41 K 8.67 4.19 0.00 1.86 1.78 0.00 1.76 0.00 0.00 1.61 0.00 0.00 3.08 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.41 7.81 42 P 0.00 4.68 0.00 2.14 2.11 0.00 3.62 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 43 V 7.58 4.98 2.10 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 0.79 0.00 0.00 0.97 0.00 0.00 44 N 8.94 4.78 0.00 2.64 2.26 0.00 0.00 6.80 6.78 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 45 T 7.83 4.85 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 0.96 0.00 0.00 46 F 8.97 4.85 0.00 2.99 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 47 V 9.08 4.50 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 1.06 0.00 0.00 1.07 0.00 0.00 48 H 8.99 5.52 0.00 3.18 3.52 0.00 5.67 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 49 E 8.05 4.37 0.00 2.02 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 2.37 2.29 0.00 50 S 8.27 4.41 0.00 4.07 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 51 L 8.53 4.00 0.00 1.83 1.75 1.02 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.99 4.01 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 53 D 7.81 4.34 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 54 V 7.85 3.80 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 1.24 0.00 0.00 1.11 0.00 0.00 55 Q 8.59 3.94 0.00 2.22 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.32 2.53 0.00 56 A 7.98 4.04 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 57 V 7.46 3.45 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 1.06 0.00 0.00 0.99 0.00 0.00 58 C 7.64 3.71 0.00 2.85 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 59 S 7.50 4.64 0.00 3.89 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 60 Q 7.21 4.05 0.00 1.66 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 7.01 0.00 0.00 0.00 0.00 0.00 1.70 2.13 0.00 61 K 8.37 4.27 0.00 2.02 1.86 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.48 1.53 7.81 62 N 8.80 4.48 0.00 2.77 2.67 0.00 0.00 7.00 7.71 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 63 V 8.48 4.60 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 0.73 0.00 0.00 0.84 0.00 0.00 64 A 8.37 4.48 1.18 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 0.00 0.00 0.00 65 C 8.60 4.75 0.00 3.11 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 66 K 8.69 3.79 0.00 1.74 1.85 0.00 1.81 0.00 0.00 1.78 0.00 0.00 3.06 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.39 7.81 67 N 7.95 4.47 0.00 2.83 2.90 0.00 0.00 6.26 7.00 0.00 0.00 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 7.76 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 69 Q 8.43 4.17 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.74 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 70 T 8.33 4.55 4.19 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 1.18 0.00 0.00 71 N 7.84 4.96 0.00 3.06 3.14 0.00 0.00 6.09 7.68 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 72 C 7.45 5.20 0.00 3.04 2.89 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 73 Y 8.89 5.13 0.00 2.79 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 74 Q 9.14 5.04 0.00 2.03 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.00 0.00 0.00 0.00 0.00 0.00 2.28 2.26 0.00 75 S 8.79 4.43 0.00 3.92 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 76 Y 9.29 4.53 0.00 3.00 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 77 S 7.87 4.84 0.00 3.91 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 78 T 8.07 4.25 4.19 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 1.03 0.00 0.00 79 M 9.05 4.88 0.00 1.96 2.02 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.48 0.00 80 S 9.38 4.87 0.00 3.92 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 81 I 8.94 5.18 1.87 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.80 0.99 0.00 0.00 82 T 8.87 5.09 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 1.31 0.00 0.00 83 D 9.33 5.06 0.00 2.59 2.61 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 84 C 9.32 5.53 0.00 2.88 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 85 R 8.72 5.26 0.00 1.84 1.78 0.00 3.13 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 86 E 9.21 4.17 0.00 1.93 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 1.90 0.00 87 T 8.44 4.25 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 88 G 8.50 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 S 7.75 4.50 0.00 3.97 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 90 S 7.38 4.16 0.00 3.85 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 91 K 8.27 4.56 0.00 1.75 1.56 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.42 1.43 7.81 92 Y 8.66 4.27 0.00 2.94 2.87 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 3.37 0.00 1.87 1.42 0.00 3.63 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.75 0.00 94 N 7.30 4.66 0.00 2.62 2.79 0.00 0.00 6.98 8.91 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 95 C 8.29 4.41 0.00 3.14 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 96 A 8.76 5.07 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 97 Y 9.46 5.16 0.00 2.93 2.89 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 98 K 9.04 4.65 0.00 1.87 1.71 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.43 7.81 99 T 8.56 4.72 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 0.00 100 T 8.68 4.61 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 1.23 0.00 0.00 101 Q 8.84 4.76 0.00 1.92 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.73 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 102 A 8.58 4.55 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 0.00 103 N 8.74 5.33 0.00 2.57 2.75 0.00 0.00 6.69 7.61 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 0.00 104 K 8.71 4.78 0.00 1.74 1.85 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.43 7.81 105 H 9.08 4.87 0.00 3.19 3.23 0.00 5.57 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.61 4.84 1.81 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.18 1.14 0.00 0.00 107 I 8.14 4.83 1.67 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.59 0.80 0.00 0.00 108 V 8.64 4.79 1.83 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 0.72 0.00 0.00 0.79 0.00 0.00 109 A 8.75 4.99 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 0.00 110 C 8.73 5.10 0.00 2.06 1.77 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 0.00 111 E 8.72 4.65 0.00 1.99 1.70 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 2.24 2.34 0.00 112 G 9.07 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 0.00 113 N 8.27 5.05 0.00 2.65 2.72 0.00 0.00 6.93 7.69 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 0.00 114 P 0.00 4.36 0.00 2.23 2.05 0.00 3.83 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 115 Y 8.33 4.68 0.00 2.83 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 0.00 116 V 7.99 4.44 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 0.68 0.00 0.00 0.92 0.00 0.00 117 P 0.00 4.49 0.00 0.49 1.00 0.00 3.30 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 118 V 8.59 4.48 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 0.59 0.00 0.00 0.94 0.00 0.00 119 H 7.85 4.96 0.00 3.20 3.11 0.00 5.65 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 F 8.75 4.70 0.00 2.75 2.67 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 0.00 121 D 8.58 4.54 0.00 2.62 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 0.00 122 A 6.70 4.60 1.17 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 0.00 0.00 0.00 0.00 0.00 0.00 123 S 8.73 4.98 0.00 3.96 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 0.00 124 V 8.66 4.12 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 0.71 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.