NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.0458 8.0544 114.0580 60.5862 33.6074 174.6152 3 E 4.3241 8.0347 120.7339 53.4389 31.5105 169.1494 4 V 4.3675 8.3119 126.2299 60.7678 34.5899 174.5058 5 E 3.8814 8.6666 127.9820 59.0137 29.6576 176.4881 6 H 4.9116 7.6844 112.7747 53.4544 32.4213 172.9026 7 W 4.8463 8.5096 120.5295 57.0945 30.5896 176.5686 8 N 4.1093 8.7031 118.3285 54.7770 36.4426 172.4996 9 T 4.8168 7.3503 110.4310 60.3277 72.3680 175.0015 10 L 5.0151 8.8775 121.7038 53.1593 46.9092 175.4599 11 R 4.7585 8.9521 122.4308 54.7538 31.9538 174.4433 12 L 5.0223 9.2670 130.0201 54.0697 44.1521 175.3832 13 R 4.9691 9.2772 124.7666 54.4907 33.9425 174.1395 14 I 4.9961 8.5178 124.7820 59.7245 40.1648 174.0922 15 Y 5.1771 9.5652 125.3097 56.2760 40.7382 175.1178 16 I 4.9383 8.4844 116.2248 60.0411 41.9854 173.3660 17 G 4.3490 8.8319 108.4131 43.9821 0.0000 174.8351 18 E 4.0046 9.1739 125.0845 58.9989 29.7282 177.5511 19 N 4.7885 8.4859 113.4635 53.2079 38.8643 175.1203 20 D 4.6288 8.1987 120.1368 54.3549 41.4889 175.5730 21 K 4.9089 8.3104 120.2677 54.7367 36.2237 176.3719 22 W 4.7944 8.8600 130.4292 56.9210 32.1401 174.6875 23 E 3.3032 8.9258 127.9245 57.5132 25.8026 176.1505 24 G 3.9291 8.3214 104.8253 45.6928 0.0000 173.8387 25 R 4.5958 7.2966 118.6235 53.1780 32.9236 173.5530 26 P 4.5893 0.0000 0.0000 62.8070 31.9343 176.8594 27 L 3.9891 8.6869 126.4229 58.7098 41.9110 178.7021 28 Y 4.1707 8.0784 116.8268 60.1261 37.9519 178.2427 29 K 3.6942 6.9380 119.8338 58.8329 32.1415 179.3308 30 V 3.5430 7.6367 118.5896 65.9540 31.4694 178.1305 31 I 3.6132 8.0067 119.8769 64.4835 36.9863 178.5570 32 V 3.5919 8.1426 119.4175 65.8222 31.2014 177.6316 33 E 3.8545 8.3470 119.1999 59.1892 29.4859 178.7088 34 K 3.8834 8.0444 119.5729 59.4172 32.2535 178.4949 35 L 3.9433 7.9796 119.2620 57.8353 41.5313 179.4902 36 R 3.8433 7.9271 118.2927 59.5782 29.8559 178.1431 37 E 3.9460 8.0640 116.9542 60.0021 29.6161 179.3239 38 M 4.2526 8.2050 117.3467 56.5614 31.9270 177.3520 39 G 3.9038 7.9460 106.8031 45.5768 0.0000 173.7089 40 I 3.7854 7.7464 120.0694 60.5701 37.6759 177.1219 41 A 3.9982 9.2382 128.1054 54.0873 18.2658 177.7878 42 G 3.8658 6.7274 101.5126 46.4188 0.0000 171.2296 43 A 4.7043 7.6505 117.2246 51.6472 21.7796 176.2336 44 T 4.5160 8.6988 116.5935 61.6352 72.8144 173.1385 45 V 4.7270 8.1721 125.0026 61.3278 33.7097 174.1735 46 Y 4.7802 9.1963 125.1017 56.1381 41.4684 174.4992 47 R 4.8456 8.5146 121.3105 54.6581 32.4829 175.5920 48 G 4.1688 8.9755 114.9115 45.6945 0.0000 173.0700 49 I 4.4851 8.1448 111.6079 61.2152 38.6204 175.0913 50 Y 4.5171 7.3587 120.9056 57.2807 41.2339 172.7365 51 G 3.8513 6.5765 111.1498 45.4111 0.0000 172.6532 52 F 4.9432 8.0524 113.7681 55.4617 41.3728 174.9649 53 G 4.0452 8.2512 110.9252 45.9642 0.0000 174.8254 54 K 3.9928 8.8098 123.3502 58.4529 32.3998 176.5469 *64 I 3.9672 7.3369 111.4495 60.5264 37.3457 173.6634 65 R 4.6202 7.9361 125.9143 54.4685 33.4475 174.8217 66 L 4.1516 8.5074 124.7633 55.0506 42.1574 178.3473 67 S 4.3169 8.6370 116.4629 60.4391 63.3766 174.8513 68 T 4.2713 7.7304 109.7664 61.9524 69.0965 174.7542 69 D 4.6565 7.5976 123.3773 52.9830 40.2096 175.5066 70 L 4.1826 8.2685 124.2745 54.0578 43.2908 174.6706 71 P 4.8911 0.0000 0.0000 62.6448 33.2239 175.3286 72 I 4.8799 8.6444 123.3261 59.5956 40.8347 174.3010 73 I 4.6315 8.7112 128.4114 59.3889 39.8611 174.6938 74 V 4.5590 8.4643 127.7694 61.3440 33.1729 173.8233 75 E 5.2102 9.5525 130.0391 54.4587 31.9877 174.6174 76 V 4.6649 8.8339 126.3904 60.9978 34.9544 174.0573 77 V 4.7957 8.2466 127.0722 61.5164 33.6283 173.6619 78 D 4.5855 8.5447 126.1604 53.3816 45.6300 174.4039 79 R 4.4533 8.5451 120.0290 55.8821 30.9273 176.9729 80 G 3.8223 8.4900 110.4795 48.6610 0.0000 175.4889 81 H 4.4149 8.2873 120.6771 58.8998 29.7552 176.8487 82 N 4.3241 8.1417 117.7863 56.4378 38.3641 177.3176 83 I 3.7276 7.7858 121.1199 63.9786 37.1595 177.9908 84 E 3.9074 8.3846 120.4371 59.3971 29.2969 179.0059 85 K 3.8996 7.9893 117.1748 59.3822 32.3932 179.1921 86 V 3.6772 7.9042 118.5197 66.1751 31.4003 178.1470 87 V 3.5663 8.0439 118.1926 66.1501 31.0372 177.4427 88 N 4.2648 7.9867 115.9030 56.4294 38.7957 176.5094 89 V 3.8222 7.6710 119.0396 64.4791 32.1323 177.0170 90 I 4.0413 7.3879 110.4188 60.7079 38.2126 177.3356 91 K 3.8093 7.5939 121.7367 59.5558 31.7897 177.0768 92 P 4.3263 0.0000 0.0000 65.1941 31.2735 177.5452 93 M 4.0484 7.3862 115.3656 54.5222 32.4722 176.1432 94 I 4.1232 7.2198 120.3562 59.9151 36.6902 174.9518 95 K 4.4656 8.4342 125.1866 55.4479 33.7982 176.5949 96 D 4.5128 8.8989 125.0970 55.9135 39.0805 173.3635 97 G 4.2784 7.3879 108.6938 45.8504 0.0000 173.0148 98 M 4.6601 8.5720 119.8829 54.7597 36.4218 174.0676 99 I 5.2833 8.5107 125.3889 59.8097 40.5386 174.7375 100 T 4.9627 9.3712 116.9535 60.0663 72.3791 173.1529 101 V 5.6087 8.2423 120.4088 60.9185 34.4190 173.2939 102 E 4.8069 8.4233 117.7305 54.8487 32.2398 173.1064 103 P 4.9379 0.0000 0.0000 63.6967 32.2822 175.1981 104 T 4.4796 8.0554 114.0350 61.5962 70.8757 172.3489 105 I 4.6103 8.3996 126.8212 59.5250 39.4209 175.2680 106 V 4.2632 8.2599 126.6080 59.9224 33.4310 176.1674 107 L 4.1792 8.4697 124.4108 54.8859 41.6383 176.6815 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 V 8.05 4.05 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 0.87 0.00 0.00 0.94 0.00 0.00 3 E 8.03 4.32 0.00 1.94 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 0.00 2.16 2.36 0.00 4 V 8.31 4.37 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 0.91 0.00 0.00 0.96 0.00 0.00 5 E 8.67 3.88 0.00 1.90 1.86 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 2.04 2.14 0.00 6 H 7.68 4.91 0.00 3.09 3.12 0.00 5.74 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 W 8.51 4.85 0.00 3.45 2.85 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 8 N 8.70 4.11 0.00 2.93 2.80 0.00 0.00 6.88 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 9 T 7.35 4.82 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 1.23 0.00 0.00 10 L 8.88 5.02 0.00 1.57 1.55 0.94 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 11 R 8.95 4.76 0.00 1.87 2.04 0.00 3.22 0.00 0.00 3.42 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 12 L 9.27 5.02 0.00 1.78 1.63 0.96 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 13 R 9.28 4.97 0.00 1.85 1.60 0.00 3.12 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.59 0.00 14 I 8.52 5.00 1.85 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 1.23 0.77 0.92 0.00 0.00 15 Y 9.57 5.18 0.00 2.80 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 16 I 8.48 4.94 2.09 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 1.31 0.75 0.95 0.00 0.00 17 G 8.83 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 0.00 0.00 0.00 0.00 18 E 9.17 4.00 0.00 2.02 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 0.00 2.38 2.31 0.00 19 N 8.49 4.79 0.00 3.02 2.87 0.00 0.00 7.06 7.62 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 20 D 8.20 4.63 0.00 2.97 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 21 K 8.31 4.91 0.00 1.72 1.74 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.64 7.81 22 W 8.86 4.79 0.00 3.36 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 23 E 8.93 3.30 0.00 2.03 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 1.75 1.47 0.00 24 G 8.32 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 25 R 7.30 4.60 0.00 2.02 1.81 0.00 3.12 0.00 0.00 3.16 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 26 P 0.00 4.59 0.00 1.87 1.96 0.00 3.56 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 2.05 2.14 0.00 27 L 8.69 3.99 0.00 1.90 1.89 0.87 0.69 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 28 Y 8.08 4.17 0.00 3.24 3.17 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 29 K 6.94 3.69 0.00 1.63 1.65 0.00 1.43 0.00 0.00 1.54 0.00 0.00 2.79 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.76 0.32 7.81 30 V 7.64 3.54 2.23 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 1.09 0.00 0.00 1.04 0.00 0.00 31 I 8.01 3.61 2.04 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 1.30 0.71 0.89 0.00 0.00 32 V 8.14 3.59 2.20 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 0.99 0.00 0.00 1.05 0.00 0.00 33 E 8.35 3.85 0.00 2.21 2.07 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 2.49 2.30 0.00 34 K 8.04 3.88 0.00 1.96 1.74 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.58 7.81 35 L 7.98 3.94 0.00 1.92 1.70 0.91 0.67 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 36 R 7.93 3.84 0.00 2.05 2.05 0.00 3.10 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 37 E 8.06 3.95 0.00 2.14 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 2.35 2.46 0.00 38 M 8.20 4.25 0.00 1.94 2.24 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 2.54 0.00 39 G 7.95 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 40 I 7.75 3.79 2.09 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 1.22 0.83 0.93 0.00 0.00 41 A 9.24 4.00 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 42 G 6.73 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 43 A 7.65 4.70 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 44 T 8.70 4.52 4.13 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 0.00 0.00 0.64 0.00 0.00 45 V 8.17 4.73 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 0.65 0.00 0.00 0.97 0.00 0.00 46 Y 9.20 4.78 0.00 2.79 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 47 R 8.51 4.85 0.00 1.67 1.75 0.00 3.29 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.69 0.00 48 G 8.98 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 0.00 0.00 0.00 49 I 8.14 4.49 1.94 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 1.30 0.82 0.95 0.00 0.00 50 Y 7.36 4.52 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 51 G 6.58 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 0.00 0.00 0.00 52 F 8.05 4.94 0.00 3.05 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 53 G 8.25 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 0.00 0.00 0.00 54 K 8.81 3.99 0.00 1.74 1.85 0.00 1.82 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.45 7.81 *64 I 7.34 3.97 1.89 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 1.32 0.74 0.92 0.00 0.00 65 R 7.94 4.62 0.00 1.74 1.79 0.00 3.27 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 66 L 8.51 4.15 0.00 1.76 1.60 0.94 0.90 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 67 S 8.64 4.32 0.00 4.11 4.06 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 0.00 0.00 0.00 68 T 7.73 4.27 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 1.25 0.00 0.00 69 D 7.60 4.66 0.00 2.74 2.80 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 70 L 8.27 4.18 0.00 1.76 1.73 0.99 1.12 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 71 P 0.00 4.89 0.00 2.07 1.97 0.00 3.59 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.02 0.00 72 I 8.64 4.88 1.77 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.26 0.62 0.00 0.00 73 I 8.71 4.63 1.75 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.17 0.36 0.00 0.00 74 V 8.46 4.56 2.07 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 0.93 0.00 0.00 0.96 0.00 0.00 75 E 9.55 5.21 0.00 2.17 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 2.27 2.26 0.00 76 V 8.83 4.66 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 0.93 0.00 0.00 0.93 0.00 0.00 77 V 8.25 4.80 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 0.86 0.00 0.00 0.95 0.00 0.00 78 D 8.54 4.59 0.00 2.77 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 79 R 8.55 4.45 0.00 1.84 1.78 0.00 3.15 0.00 0.00 3.31 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.82 0.00 80 G 8.49 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 81 H 8.29 4.41 0.00 3.24 3.34 0.00 5.88 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 82 N 8.14 4.32 0.00 3.07 2.85 0.00 0.00 7.16 7.27 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 83 I 7.79 3.73 2.03 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 1.21 0.92 0.00 0.00 84 E 8.38 3.91 0.00 2.23 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 2.30 2.37 0.00 85 K 7.99 3.90 0.00 1.90 1.83 0.00 1.78 0.00 0.00 1.58 0.00 0.00 2.86 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.41 1.43 7.81 86 V 7.90 3.68 2.22 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 0.97 0.00 0.00 0.99 0.00 0.00 87 V 8.04 3.57 2.20 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 0.93 0.00 0.00 0.99 0.00 0.00 88 N 7.99 4.26 0.00 2.75 3.01 0.00 0.00 7.17 7.06 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 89 V 7.67 3.82 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 0.85 0.00 0.00 0.94 0.00 0.00 90 I 7.39 4.04 1.75 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 1.76 0.64 0.90 0.00 0.00 91 K 7.59 3.81 0.00 1.73 1.89 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.66 7.81 92 P 0.00 4.33 0.00 1.87 2.17 0.00 3.64 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.17 0.00 93 M 7.39 4.05 0.00 1.29 1.64 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.81 0.00 94 I 7.22 4.12 1.85 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 1.51 0.76 0.93 0.00 0.00 95 K 8.43 4.47 0.00 1.78 1.77 0.00 2.02 0.00 0.00 1.78 0.00 0.00 3.09 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.52 7.81 96 D 8.90 4.51 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 97 G 7.39 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 0.00 0.00 0.00 0.00 98 M 8.57 4.66 0.00 1.84 1.70 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 99 I 8.51 5.28 1.89 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 1.44 0.82 0.93 0.00 0.00 100 T 9.37 4.96 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 1.19 0.00 0.00 101 V 8.24 5.61 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 0.45 0.00 0.00 0.99 0.00 0.00 102 E 8.42 4.81 0.00 1.98 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 0.00 2.22 2.24 0.00 103 P 0.00 4.94 0.00 1.97 2.05 0.00 3.72 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 2.04 2.10 0.00 104 T 8.06 4.48 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 0.00 105 I 8.40 4.61 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.77 0.94 0.00 0.00 106 V 8.26 4.26 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 0.83 0.00 0.00 0.91 0.00 0.00 107 L 8.47 4.18 0.00 1.66 1.61 0.92 0.90 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 * Residues marked with a * may have inaccurate shift predictions.