NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.7474 8.2833 118.1262 52.9393 40.7196 176.5488 3 D 4.2009 8.4288 120.2207 57.1718 40.8663 176.7416 4 K 3.9879 8.8223 119.7448 59.3597 32.4689 179.0692 5 K 3.9562 7.9867 118.1458 59.6010 31.9913 179.2326 6 I 3.7173 7.8754 120.0146 64.2542 37.0213 178.0449 7 E 3.9249 8.2936 120.0804 59.2387 29.4805 178.6945 8 L 4.0120 7.9601 120.2093 58.2177 42.1287 178.7529 9 L 4.0501 8.3134 119.3502 58.2150 41.6327 179.8094 10 T 3.9460 8.2791 115.7713 66.9923 68.2152 177.0353 11 T 3.9353 7.8670 116.3488 66.6375 68.8179 175.7866 12 Y 4.2085 8.7819 121.7644 61.0058 38.8899 178.4275 13 L 4.3577 8.6396 120.2896 57.6261 41.5184 179.2106 14 S 4.4420 7.9617 112.5293 60.3361 63.0962 175.8567 15 L 4.0815 8.0614 123.1232 56.1340 41.2702 175.9715 16 Y 5.8423 7.2957 115.3780 55.7884 40.5052 175.0467 17 I 4.5317 8.0860 119.8455 58.9794 41.6293 173.9020 18 D 4.8202 8.6046 128.6060 54.2463 41.9997 176.8046 19 H 4.4522 9.0937 121.2386 59.0064 28.5025 177.3100 20 H 4.1212 8.6212 121.6414 59.4706 29.5234 177.3614 21 T 3.8798 7.6977 117.6467 66.5182 68.0430 176.8901 22 V 3.6532 7.6638 118.5779 65.9296 31.7736 177.1279 23 L 4.2550 8.3797 118.9909 58.4522 42.1748 178.6300 24 A 4.1799 8.1797 120.5008 54.8673 18.1785 179.1739 25 D 4.8071 8.0983 112.7565 54.9492 40.6489 177.6503 *27 Q 4.3403 7.9680 116.4067 55.2835 30.2329 175.3027 28 N 4.6644 8.1549 113.5272 52.0264 39.6651 174.1616 29 A 3.8171 7.8942 120.0936 53.3163 16.3827 177.6898 30 T 4.0842 8.0363 109.1229 62.6399 69.4682 175.1670 31 G 3.9359 7.8919 109.6151 46.6550 0.0000 175.2234 32 K 3.7994 9.3201 121.8660 58.0832 32.3360 177.3658 33 Y 5.1273 7.7511 113.9449 56.0238 41.9031 175.5091 34 V 4.3012 8.4289 122.1384 61.2089 34.0240 174.5732 35 V 4.5255 8.4485 128.5632 62.1336 33.1984 174.2132 36 L 5.0760 9.2501 128.5655 53.0036 44.1591 175.0812 37 D 3.3700 8.8276 125.0266 52.7769 41.5111 175.8465 38 V 4.1565 7.4784 119.0714 61.0241 32.8451 176.5815 39 R 4.1279 7.4180 120.4934 56.5160 30.2127 176.7225 40 N 4.5431 8.6076 117.6303 54.0228 39.3910 175.7744 41 A 4.2453 7.8420 120.7760 51.2820 19.2395 175.9756 42 P 4.4802 0.0000 0.0000 62.0931 33.4547 177.7216 43 A 3.9837 8.5409 121.3192 55.7439 18.0541 180.1897 44 Q 4.0066 8.0851 114.6869 58.3211 28.8294 178.1591 45 V 4.0959 7.5036 117.9502 64.9003 32.2505 177.4644 46 K 3.9351 8.1333 117.7000 59.2064 31.9732 176.7356 47 K 4.1050 8.4679 120.3735 55.6319 31.3338 176.1395 48 D 5.4226 7.5102 117.5913 51.9050 43.3321 173.6251 49 Q 4.6805 9.0322 115.9751 54.5300 32.8218 174.0096 50 I 3.8003 8.5635 121.1380 60.7617 38.1869 176.0491 51 K 4.1268 8.3798 127.8701 58.3762 32.1848 177.1317 52 G 3.9159 9.0622 113.9409 45.1877 0.0000 173.2253 53 A 4.4855 7.7821 121.0727 51.9462 19.5524 177.0966 54 I 4.5080 8.7361 120.4948 59.3116 39.6932 175.8024 55 A 4.3688 8.4515 128.2273 51.2359 19.6604 174.8028 *57 P 4.2666 0.0000 0.0000 62.1561 32.7294 177.6912 58 A 3.8802 8.6888 126.7502 55.3725 18.0434 180.0008 59 K 4.1225 8.3094 115.6031 59.0215 32.9363 177.9739 60 D 4.7698 8.1316 118.9531 53.6579 42.0706 177.4908 61 L 3.7386 7.3229 120.5573 58.2947 41.7362 178.4548 62 A 3.8999 7.9102 118.2391 55.8554 18.3037 179.3415 63 T 3.9767 7.7605 112.0051 66.2191 68.8966 176.1634 64 R 4.3509 8.0508 118.0921 56.0794 30.3403 177.8799 65 I 3.5927 7.6286 121.2391 64.0453 37.5961 177.8361 66 G 3.7881 7.9972 107.1088 47.9487 0.0000 174.3022 67 E 4.1056 8.2345 119.5805 58.7460 29.7365 177.6105 68 L 4.2722 7.5281 118.0927 54.2051 42.6837 175.6152 69 D 4.9315 9.6407 121.9506 52.2365 42.0269 175.8645 70 P 3.9133 0.0000 0.0000 65.2891 31.4399 177.1127 71 A 4.2024 8.4797 119.0800 52.7726 18.6988 177.0890 72 K 4.4047 7.7032 115.0365 55.0541 34.3574 175.5188 73 T 4.8343 7.8922 115.9003 62.2931 70.9645 173.2549 74 Y 5.1356 9.0031 124.4260 56.3462 40.8661 174.9051 75 V 4.8952 8.8779 123.0126 61.4153 34.3242 174.7247 76 V 5.0058 8.8277 121.8859 60.1936 34.4706 174.5969 77 Y 5.0935 8.0899 119.7623 56.0679 41.9837 173.5825 78 D 5.1145 8.4459 119.4917 52.8634 45.0949 175.0500 79 W 4.5103 10.1149 118.2742 59.9077 29.9031 176.7643 80 T 5.0827 8.6595 107.6388 59.6973 71.5380 174.6362 81 G 3.8639 8.8229 109.3992 48.1836 0.0000 175.2353 82 G 3.8219 8.0023 108.5500 47.7394 0.0000 174.6346 83 T 4.1409 7.4703 108.5256 62.0257 69.3965 174.9236 84 T 4.4752 8.3128 112.2311 62.1068 69.3550 176.5278 85 L 4.1101 8.3426 123.5832 57.5883 41.5834 179.3573 86 G 3.6993 8.0526 106.8217 47.3457 0.0000 175.8059 87 K 3.9276 7.9630 121.1779 59.0573 32.1363 179.4544 88 T 3.7976 8.1186 115.9625 66.6336 68.3710 176.5326 89 A 3.8929 8.1515 122.8053 54.8670 18.3644 179.3650 90 L 3.7707 7.9339 118.9151 58.1762 42.0701 178.9306 91 L 3.8891 8.0839 120.5101 58.0861 41.9846 179.0895 92 V 3.5232 7.6185 117.9602 65.9216 31.4423 177.9884 93 L 3.8104 7.8819 118.5626 57.8857 41.5143 179.4783 94 L 4.1413 8.2733 119.2224 58.1128 41.3327 179.9230 95 S 4.1895 8.2916 114.0866 61.0381 62.8273 175.7061 96 A 4.4234 7.8158 121.2928 52.3752 18.6820 178.0755 97 G 3.8662 8.0027 105.9273 44.8310 0.0000 173.8357 98 F 4.3954 8.1085 117.9401 56.7250 40.3365 174.9225 99 E 4.4262 8.8973 122.6757 55.4641 30.5420 174.8764 100 A 5.3044 7.9867 127.1734 51.1898 22.7878 174.0638 101 Y 4.7868 8.8871 115.3988 56.7227 43.1086 173.7901 102 E 4.9044 8.8514 122.4982 54.4211 32.2736 174.8386 103 L 4.4153 9.1476 128.9345 54.6105 43.1208 176.1828 104 A 4.3676 8.6226 131.0133 53.7441 18.8484 177.0331 105 G 3.9358 8.8884 111.3978 43.7921 0.0000 174.2892 106 A 3.9403 8.0469 121.8889 52.1633 18.3572 176.8198 107 L 3.8266 8.4217 114.2619 58.4453 42.0516 179.7312 108 E 4.1338 8.5868 119.5025 59.5372 29.3023 179.2480 109 G 3.6266 8.2879 104.6295 47.3364 0.0000 175.1551 110 W 4.1944 8.1617 130.4637 60.3478 30.5325 178.2659 111 K 4.2413 8.4743 117.4594 59.1145 31.5600 180.6412 112 G 3.7705 7.8582 104.8147 44.4629 0.0000 173.7318 *114 Q 4.1257 8.0270 115.9146 55.2525 30.0166 175.0929 115 L 4.2835 7.3472 117.3830 52.4082 43.8509 176.4265 116 P 4.3908 0.0000 0.0000 63.8538 31.9266 175.3608 117 L 5.5116 8.5178 122.8904 53.1142 45.9188 174.7390 118 E 4.6853 9.0655 116.2183 55.9765 33.3893 175.4857 119 H 4.6260 8.5912 116.4855 56.0934 29.1616 174.8227 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 N 8.28 4.75 0.00 2.77 2.90 0.00 0.00 7.01 7.19 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 3 D 8.43 4.20 0.00 2.77 2.73 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 4 K 8.82 3.99 0.00 1.80 1.87 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.54 7.81 5 K 7.99 3.96 0.00 1.95 1.85 0.00 1.81 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.53 7.81 6 I 7.88 3.72 2.01 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.86 0.93 0.00 0.00 7 E 8.29 3.92 0.00 2.20 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 0.00 2.33 2.40 0.00 8 L 7.96 4.01 0.00 1.84 1.81 1.01 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 9 L 8.31 4.05 0.00 1.92 1.75 0.95 0.57 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 10 T 8.28 3.95 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 1.26 0.00 0.00 11 T 7.87 3.94 4.33 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 1.26 0.00 0.00 12 Y 8.78 4.21 0.00 3.25 3.20 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 13 L 8.64 4.36 0.00 1.91 1.82 1.01 0.97 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 14 S 7.96 4.44 0.00 4.14 4.17 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 15 L 8.06 4.08 0.00 1.18 1.24 0.56 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 7.30 5.84 0.00 2.85 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 17 I 8.09 4.53 1.54 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.18 0.82 0.00 0.00 18 D 8.60 4.82 0.00 2.75 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 H 9.09 4.45 0.00 3.82 3.78 0.00 5.71 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 20 H 8.62 4.12 0.00 3.08 3.35 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 T 7.70 3.88 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 1.33 0.00 0.00 22 V 7.66 3.65 2.44 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 0.88 0.00 0.00 0.80 0.00 0.00 23 L 8.38 4.26 0.00 1.88 1.78 0.78 1.09 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 24 A 8.18 4.18 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 25 D 8.10 4.81 0.00 2.92 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 *27 Q 7.97 4.34 0.00 2.23 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.22 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.49 0.00 28 N 8.15 4.66 0.00 2.84 2.87 0.00 0.00 7.04 7.43 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 29 A 7.89 3.82 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 30 T 8.04 4.08 4.16 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 1.18 0.00 0.00 31 G 7.89 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 K 9.32 3.80 0.00 0.83 0.74 0.00 1.47 0.00 0.00 1.41 0.00 0.00 2.93 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.18 1.22 7.81 33 Y 7.75 5.13 0.00 2.85 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 34 V 8.43 4.30 1.78 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 1.19 0.00 0.00 0.79 0.00 0.00 35 V 8.45 4.53 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 0.93 0.00 0.00 0.91 0.00 0.00 36 L 9.25 5.08 0.00 1.49 1.43 0.75 0.79 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 37 D 8.83 3.37 0.00 2.36 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 38 V 7.48 4.16 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 0.46 0.00 0.00 0.83 0.00 0.00 39 R 7.42 4.13 0.00 1.50 1.63 0.00 2.58 0.00 0.00 3.00 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 1.26 0.00 40 N 8.61 4.54 0.00 2.74 2.87 0.00 0.00 6.94 7.35 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 41 A 7.84 4.25 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.48 0.00 2.20 2.00 0.00 3.69 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.17 0.00 43 A 8.54 3.98 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 44 Q 8.09 4.01 0.00 2.06 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.88 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 45 V 7.50 4.10 2.36 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 1.12 0.00 0.00 1.00 0.00 0.00 46 K 8.13 3.94 0.00 1.69 1.69 0.00 1.57 0.00 0.00 1.50 0.00 0.00 3.13 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.13 1.71 7.81 47 K 8.47 4.11 0.00 2.00 1.96 0.00 1.68 0.00 0.00 2.02 0.00 0.00 3.14 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.41 7.81 48 D 7.51 5.42 0.00 2.81 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 49 Q 9.03 4.68 0.00 2.26 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.02 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 50 I 8.56 3.80 1.38 0.00 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.34 0.20 0.00 0.00 51 K 8.38 4.13 0.00 1.80 1.87 0.00 1.94 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.50 7.81 52 G 9.06 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 A 7.78 4.49 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 54 I 8.74 4.51 1.88 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.67 0.89 0.00 0.00 55 A 8.45 4.37 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *57 P 0.00 4.27 0.00 2.20 2.05 0.00 3.55 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 1.95 2.02 0.00 58 A 8.69 3.88 1.26 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 0.00 0.00 59 K 8.31 4.12 0.00 1.91 1.93 0.00 1.55 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.57 1.44 7.81 60 D 8.13 4.77 0.00 2.59 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 7.32 3.74 0.00 1.67 1.67 0.65 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 62 A 7.91 3.90 1.26 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 0.00 0.00 63 T 7.76 3.98 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 1.18 0.00 0.00 64 R 8.05 4.35 0.00 1.73 2.01 0.00 3.09 0.00 0.00 3.03 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 65 I 7.63 3.59 1.94 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.84 0.96 0.00 0.00 66 G 8.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.23 4.11 0.00 1.99 2.00 0.00 0.00 0.00 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 68 L 7.53 4.27 0.00 1.43 1.17 -0.04 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 69 D 9.64 4.93 0.00 2.76 2.71 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 70 P 0.00 3.91 0.00 1.96 1.73 0.00 3.77 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 71 A 8.48 4.20 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 72 K 7.70 4.40 0.00 1.71 1.41 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.39 7.81 73 T 7.89 4.83 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 74 Y 9.00 5.14 0.00 2.95 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 75 V 8.88 4.90 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 0.99 0.00 0.00 0.84 0.00 0.00 76 V 8.83 5.01 1.99 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 0.59 0.00 0.00 0.98 0.00 0.00 77 Y 8.09 5.09 0.00 3.00 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 78 D 8.45 5.11 0.00 2.78 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 W 10.11 4.51 0.00 3.20 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 80 T 8.66 5.08 4.46 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 0.00 0.00 0.00 1.35 0.00 0.00 81 G 8.82 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 0.00 0.00 0.00 82 G 8.00 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 0.00 0.00 0.00 83 T 7.47 4.14 4.68 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 1.36 0.00 0.00 84 T 8.31 4.48 4.27 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 1.26 0.00 0.00 85 L 8.34 4.11 0.00 1.97 1.72 1.03 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 86 G 8.05 3.70 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 0.00 0.00 0.00 87 K 7.96 3.93 0.00 1.80 1.82 0.00 1.72 0.00 0.00 1.79 0.00 0.00 3.09 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.53 1.53 7.81 88 T 8.12 3.80 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 1.18 0.00 0.00 89 A 8.15 3.89 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 90 L 7.93 3.77 0.00 1.76 1.75 0.81 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 91 L 8.08 3.89 0.00 1.80 1.79 0.89 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 92 V 7.62 3.52 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 0.88 0.00 0.00 0.94 0.00 0.00 93 L 7.88 3.81 0.00 1.79 1.65 0.78 -0.13 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 94 L 8.27 4.14 0.00 1.59 1.68 0.81 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 95 S 8.29 4.19 0.00 4.01 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 96 A 7.82 4.42 1.59 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 97 G 8.00 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 0.00 0.00 0.00 98 F 8.11 4.40 0.00 3.07 3.08 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 0.00 0.00 0.00 99 E 8.90 4.43 0.00 2.09 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 2.50 2.26 0.00 100 A 7.99 5.30 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 0.00 101 Y 8.89 4.79 0.00 2.85 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 0.00 102 E 8.85 4.90 0.00 1.79 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 2.35 2.27 0.00 103 L 9.15 4.42 0.00 1.82 1.66 1.01 0.65 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 0.00 104 A 8.62 4.37 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 G 8.89 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 A 8.05 3.94 1.59 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 0.00 107 L 8.42 3.83 0.00 1.95 2.07 0.80 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 108 E 8.59 4.13 0.00 2.33 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 109 G 8.29 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 W 8.16 4.19 0.00 3.47 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 0.00 111 K 8.47 4.24 0.00 1.98 1.93 0.00 1.88 0.00 0.00 1.80 0.00 0.00 3.22 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.59 1.72 7.81 112 G 7.86 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 *114 Q 8.03 4.13 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.73 6.90 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 115 L 7.35 4.28 0.00 0.27 0.13 0.51 -0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 116 P 0.00 4.39 0.00 2.26 2.27 0.00 3.31 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.10 0.00 117 L 8.52 5.51 0.00 1.57 1.75 1.02 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 118 E 9.07 4.69 0.00 2.00 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 0.00 2.39 2.31 0.00 119 H 8.59 4.63 0.00 3.14 3.21 0.00 5.75 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.