NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *6 H 4.7538 8.4444 117.3718 54.3421 29.2342 172.0704 7 R 4.7226 8.2262 124.8794 52.7473 33.2603 173.0281 8 L 4.4301 8.2934 126.5143 55.7001 42.7099 177.1170 9 S 4.4995 9.9734 118.6800 57.4370 64.8762 175.1932 10 A 3.9966 8.6896 122.0483 55.5077 17.9990 179.8876 11 E 3.9447 8.0879 116.5160 59.3855 29.6255 179.0779 12 E 3.9359 8.0602 118.3621 59.5303 29.5955 179.3080 13 R 3.9067 7.9936 117.9114 59.7811 29.9991 178.5850 14 D 4.4459 7.7019 116.2833 57.8178 40.8889 178.9073 15 Q 4.1677 8.0792 117.4342 57.9256 28.6835 177.5529 16 L 4.6084 7.9252 118.6460 55.4857 43.8138 178.7946 17 L 3.8864 8.4510 119.1766 57.4558 41.6326 177.5394 18 P 4.3478 0.0000 0.0000 65.9838 30.9961 178.3142 19 N 4.4198 7.5914 113.8391 56.1134 38.6609 177.0770 20 L 4.3176 7.7367 119.9611 57.3948 42.0105 178.9592 21 R 4.8332 8.7858 119.6975 58.9357 29.9216 178.7495 22 A 4.3259 7.9072 118.4243 54.6906 18.3073 178.9974 23 V 4.2448 7.7436 108.9008 60.8474 32.1291 176.4473 24 G 3.9483 8.1824 106.9322 44.7694 0.0000 173.8924 25 W 4.5724 8.3042 120.7521 55.8630 30.7205 175.1117 26 N 5.5271 9.2939 121.9190 51.3402 41.6746 174.2460 27 E 4.8336 8.8507 120.8498 56.2744 29.5925 175.5883 28 L 4.7986 8.1684 122.6691 52.9160 45.1330 175.6730 29 E 4.0755 8.7835 125.4150 57.9573 29.9832 176.2201 30 G 4.3416 9.1009 117.2143 45.9589 0.0000 174.1546 31 R 4.1663 6.9328 117.9306 55.6002 30.8745 177.1788 32 D 4.7841 8.4573 122.4432 52.9020 39.9518 174.0582 33 A 4.9677 7.6767 124.2131 50.6115 23.6516 174.6136 34 I 5.2519 8.8312 110.6938 59.8149 41.4502 174.3358 35 F 6.0811 9.5646 124.4353 56.6554 43.8340 172.8993 36 K 3.7038 6.2153 118.3780 55.4815 34.9082 173.3045 37 Q 4.8515 8.0946 126.3629 54.9871 30.2387 175.0791 38 F 4.4672 9.5603 121.7656 55.8173 42.6197 173.6803 39 H 5.3099 8.4417 119.6059 54.0992 31.7650 172.7514 40 F 4.8456 8.6576 119.9444 55.4813 42.3727 175.4280 41 K 4.1656 8.9616 118.4371 59.5818 32.1573 176.5702 42 D 4.2597 7.4222 115.6271 51.0849 42.2451 175.2722 43 F 3.9143 8.1563 119.4722 61.4339 39.2020 176.3108 44 N 4.1324 8.2421 116.3814 57.0150 38.5420 176.4698 45 R 3.6512 8.1639 119.3360 59.2329 30.1217 178.3383 46 A 3.0371 7.3927 120.5831 54.7494 18.3225 179.4288 47 F 3.7152 8.3033 120.1863 60.9342 39.2529 177.5052 48 G 3.4479 7.9642 105.6609 47.6256 0.0000 175.0714 49 F 4.0102 7.7942 123.2477 61.4152 39.2143 176.9884 50 M 3.3962 7.7843 118.2769 58.5159 31.6104 178.9191 51 T 3.5292 7.4386 115.9666 66.6932 68.7079 176.9426 52 R 3.9593 7.9838 120.0285 59.1298 29.9622 179.3359 53 V 3.7591 7.7922 118.0446 65.6608 31.5046 177.9514 54 A 3.9776 8.6493 121.2226 55.0864 18.2502 179.2426 55 L 3.8637 7.8420 117.4815 58.3078 41.7396 179.9035 56 Q 3.5630 7.6856 116.8589 58.6778 28.4309 178.5345 57 A 4.1420 7.8024 123.3914 54.5412 18.0886 179.6571 58 E 3.8259 7.8858 115.2562 59.4130 29.6808 178.7908 59 K 3.8602 7.4628 118.3071 59.6776 32.2219 177.8783 60 L 4.1392 8.0676 116.6891 53.8605 43.0729 175.8449 61 D 4.3164 7.9976 117.6625 54.6441 39.7687 173.2992 62 H 4.7202 7.1272 118.2747 55.1961 33.3949 171.2838 63 H 4.7622 8.2178 123.2555 53.0675 31.8645 171.5564 64 P 4.4732 0.0000 0.0000 62.4750 32.9186 175.0629 65 E 4.7975 8.9996 120.3973 54.5869 30.9952 175.4538 66 W 6.0028 9.1085 121.0816 54.7635 31.8959 174.3409 67 F 5.1277 9.5456 122.6583 56.6057 42.3804 172.9819 68 N 5.7573 7.9289 122.7669 50.6370 42.2320 173.7827 69 V 4.1442 7.7043 123.8613 61.8887 35.4357 176.1188 70 Y 3.8372 8.9698 130.6201 59.0733 38.7386 170.3832 71 N 4.7559 9.3575 113.0114 52.1998 38.3241 173.9191 72 K 5.0995 8.3002 119.2484 55.0414 35.2827 175.4316 73 V 4.9719 9.5864 124.0816 61.7217 34.9037 173.5548 74 H 5.5453 9.5604 125.4070 54.3095 31.5242 173.7553 75 I 5.6343 8.3801 122.3298 60.1406 41.8703 174.4099 76 T 5.7038 9.4348 121.2108 62.1703 72.9321 172.9850 77 L 5.1189 9.3836 124.3247 53.3702 45.8007 175.5456 78 S 4.8208 8.5389 115.8293 57.9265 65.9537 173.0708 79 T 4.5249 8.6172 120.0389 62.1927 70.1805 175.6823 80 H 4.2610 8.8909 123.8989 59.1830 29.2200 176.5134 81 E 4.0743 8.2961 117.5332 59.6297 29.2281 178.2991 82 C 4.1951 8.0056 110.1085 58.0911 30.4913 174.3273 83 A 3.8916 8.6753 122.1323 52.2336 17.1427 177.4441 84 G 4.2072 7.2116 102.2893 45.0265 0.0000 172.4108 85 L 4.9157 9.2428 120.2963 55.2818 43.1206 176.5582 86 S 4.8111 9.4968 115.6304 55.9770 66.7253 174.7926 87 E 3.8673 9.1127 119.3125 59.8693 28.8010 179.2516 88 R 3.7470 7.3146 116.7646 59.0947 29.0577 178.0715 89 D 4.3004 7.8626 119.5463 57.1474 40.8497 178.9709 90 I 3.5174 7.5419 119.2548 64.5827 37.1853 178.1185 91 N 4.3110 8.6018 117.3736 56.1593 38.0182 177.3216 92 L 3.9684 8.5542 121.9436 58.0144 42.0975 178.8764 93 A 3.8767 8.0677 120.9897 55.1775 18.1663 179.7787 94 S 4.0647 8.1540 113.7627 61.5319 62.8339 176.7541 95 F 3.9684 8.3348 123.2938 61.4734 39.2886 176.9772 96 I 3.7762 9.0748 120.4030 64.8709 37.0670 178.1757 97 E 4.1585 8.5649 119.2041 59.5119 29.1495 178.8483 98 Q 3.9111 7.7241 118.3676 59.3067 29.2622 178.8119 99 V 3.5592 7.6566 118.6038 65.8456 31.8231 177.4541 100 A 3.9375 8.4848 121.0344 55.6622 17.9519 179.5708 101 V 3.6651 7.5292 114.7705 66.2203 31.4677 178.1676 102 S 4.3421 7.8425 112.9725 60.6369 63.0971 174.7797 103 M 4.1151 7.2107 122.2028 55.0504 32.0450 176.6896 104 T 4.2262 8.4656 113.1485 61.7289 69.0664 173.8372 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 *6 H 8.44 4.75 0.00 2.95 2.96 0.00 7.13 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 R 8.23 4.72 0.00 1.82 1.75 0.00 3.23 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.86 0.00 8 L 8.29 4.43 0.00 1.58 1.61 0.89 1.01 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 9 S 9.97 4.50 0.00 3.85 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 10 A 8.69 4.00 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 11 E 8.09 3.94 0.00 1.99 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 2.40 2.34 0.00 12 E 8.06 3.94 0.00 2.29 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 0.00 2.32 2.35 0.00 13 R 7.99 3.91 0.00 1.96 2.01 0.00 3.15 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.80 0.00 14 D 7.70 4.45 0.00 2.94 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 15 Q 8.08 4.17 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.35 2.57 0.00 16 L 7.93 4.61 0.00 1.63 1.61 0.89 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 17 L 8.45 3.89 0.00 1.77 1.73 0.93 1.02 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 18 P 0.00 4.35 0.00 2.16 2.13 0.00 3.52 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 2.26 2.17 0.00 19 N 7.59 4.42 0.00 2.74 2.90 0.00 0.00 7.09 7.73 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 20 L 7.74 4.32 0.00 1.82 1.69 0.69 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 21 R 8.79 4.83 0.00 2.08 2.05 0.00 3.19 0.00 0.00 3.31 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.68 0.00 22 A 7.91 4.33 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.74 4.24 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 0.84 0.00 0.00 1.29 0.00 0.00 24 G 8.18 3.95 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 0.00 0.00 0.00 25 W 8.30 4.57 0.00 3.40 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 26 N 9.29 5.53 0.00 2.72 2.75 0.00 0.00 6.67 7.52 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 27 E 8.85 4.83 0.00 1.91 1.94 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 2.39 2.39 0.00 28 L 8.17 4.80 0.00 1.89 1.66 0.84 1.16 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 29 E 8.78 4.08 0.00 1.96 1.88 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 2.31 2.30 0.00 30 G 9.10 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 0.00 0.00 0.00 0.00 31 R 6.93 4.17 0.00 1.90 1.91 0.00 3.19 0.00 0.00 3.18 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.58 0.00 32 D 8.46 4.78 0.00 2.82 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 33 A 7.68 4.97 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 34 I 8.83 5.25 2.33 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.36 1.03 0.00 0.00 35 F 9.56 6.08 0.00 3.17 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 36 K 6.22 3.70 0.00 0.79 0.74 0.00 0.66 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.30 7.81 37 Q 8.09 4.85 0.00 1.82 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.46 0.00 0.00 0.00 0.00 0.00 2.25 2.22 0.00 38 F 9.56 4.47 0.00 3.03 2.30 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 39 H 8.44 5.31 0.00 2.77 3.08 0.00 5.83 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 40 F 8.66 4.85 0.00 2.74 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 41 K 8.96 4.17 0.00 1.79 1.91 0.00 1.78 0.00 0.00 1.79 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.47 7.81 42 D 7.42 4.26 0.00 2.81 2.82 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 43 F 8.16 3.91 0.00 2.74 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 44 N 8.24 4.13 0.00 2.79 2.91 0.00 0.00 6.79 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 R 8.16 3.65 0.00 2.12 1.72 0.00 3.29 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 46 A 7.39 3.04 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 47 F 8.30 3.72 0.00 1.79 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 48 G 7.96 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 F 7.79 4.01 0.00 2.55 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 50 M 7.78 3.40 0.00 1.15 1.55 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.81 0.00 51 T 7.44 3.53 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 1.09 0.00 0.00 52 R 7.98 3.96 0.00 1.93 2.09 0.00 3.11 0.00 0.00 3.08 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 53 V 7.79 3.76 2.26 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 0.99 0.00 0.00 0.57 0.00 0.00 54 A 8.65 3.98 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 L 7.84 3.86 0.00 1.85 1.69 0.89 0.61 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 56 Q 7.69 3.56 0.00 1.61 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 57 A 7.80 4.14 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 58 E 7.89 3.83 0.00 1.92 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 0.00 2.36 2.46 0.00 59 K 7.46 3.86 0.00 1.64 1.89 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.43 7.81 60 L 8.07 4.14 0.00 1.46 1.59 0.74 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 61 D 8.00 4.32 0.00 2.72 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 62 H 7.13 4.72 0.00 3.09 2.96 0.00 5.86 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 H 8.22 4.76 0.00 2.99 2.99 0.00 5.94 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.47 0.00 1.66 1.67 0.00 3.12 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 65 E 9.00 4.80 0.00 2.11 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 2.33 2.31 0.00 66 W 9.11 6.00 0.00 3.41 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 67 F 9.55 5.13 0.00 3.36 3.15 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 68 N 7.93 5.76 0.00 2.56 2.42 0.00 0.00 7.02 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 69 V 7.70 4.14 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 1.03 0.00 0.00 0.82 0.00 0.00 70 Y 8.97 3.84 0.00 3.04 2.47 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 71 N 9.36 4.76 0.00 3.01 2.65 0.00 0.00 5.78 7.18 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 72 K 8.30 5.10 0.00 1.70 1.71 0.00 1.56 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.03 1.33 7.81 73 V 9.59 4.97 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 1.03 0.00 0.00 1.19 0.00 0.00 74 H 9.56 5.55 0.00 3.54 3.42 0.00 5.61 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 I 8.38 5.63 2.22 0.00 0.00 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 1.75 1.49 1.28 0.00 0.00 76 T 9.43 5.70 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 1.48 0.00 0.00 77 L 9.38 5.12 0.00 1.51 1.64 0.68 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 78 S 8.54 4.82 0.00 3.89 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 79 T 8.62 4.52 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 1.23 0.00 0.00 80 H 8.89 4.26 0.00 3.17 3.36 0.00 5.76 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.30 4.07 0.00 1.96 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 2.34 2.37 0.00 82 C 8.01 4.20 0.00 3.07 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 83 A 8.68 3.89 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 G 7.21 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 L 9.24 4.92 0.00 1.58 1.58 0.97 0.88 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 S 9.50 4.81 0.00 3.88 3.88 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 87 E 9.11 3.87 0.00 2.15 2.24 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 2.33 2.35 0.00 88 R 7.31 3.75 0.00 1.76 2.07 0.00 2.83 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.01 0.00 89 D 7.86 4.30 0.00 2.84 2.69 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 90 I 7.54 3.52 1.90 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 1.74 0.81 0.83 0.00 0.00 91 N 8.60 4.31 0.00 2.65 2.84 0.00 0.00 6.74 6.60 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 92 L 8.55 3.97 0.00 1.64 1.60 0.86 1.02 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 93 A 8.07 3.88 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 S 8.15 4.06 0.00 4.03 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 95 F 8.33 3.97 0.00 3.23 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 96 I 9.07 3.78 2.39 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.82 1.19 0.00 0.00 97 E 8.56 4.16 0.00 2.22 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 2.96 2.74 0.00 98 Q 7.72 3.91 0.00 2.11 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.97 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 99 V 7.66 3.56 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 1.05 0.00 0.00 0.20 0.00 0.00 100 A 8.48 3.94 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 0.00 101 V 7.53 3.67 2.26 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 0.89 0.00 0.00 0.97 0.00 0.00 102 S 7.84 4.34 0.00 4.07 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 0.00 103 M 7.21 4.12 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.40 0.00 104 T 8.47 4.23 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 1.27 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.