NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2849 8.2601 123.6007 52.3282 20.6221 177.4189 3 A 4.3684 7.8349 115.2222 50.9086 20.0410 170.3108 4 V 4.6888 8.6275 119.1160 62.2300 34.8510 172.6902 5 T 4.7614 9.2476 125.1780 61.9389 71.0450 173.5053 6 Q 5.4674 8.7326 124.3146 54.3811 31.5245 175.1428 7 S 4.8624 8.9436 116.5232 55.9750 66.8254 172.1912 8 P 4.7327 0.0000 0.0000 62.5160 32.4887 176.5486 9 R 4.1258 8.6342 118.3528 59.1585 30.6717 175.5626 10 N 5.5642 7.9608 113.4928 51.5590 42.1489 173.8136 11 K 4.5574 8.6660 121.1352 55.3662 36.2823 174.4890 12 V 4.8631 8.5099 126.4685 61.1186 33.9250 174.0437 13 A 4.8550 9.1495 128.4243 50.1483 23.3062 174.2726 14 V 4.4934 8.3278 118.4112 61.0582 33.8165 175.2858 15 T 4.0385 8.5667 123.2980 65.7583 68.5917 174.0366 16 G 3.9590 8.9298 115.4827 44.8485 0.0000 173.2283 17 E 4.2092 8.2664 121.8269 55.4765 31.0846 175.5709 18 K 4.5461 8.5388 127.5938 56.3735 33.0858 175.9266 19 V 4.4268 8.2219 127.1876 61.3775 34.3767 174.3329 20 T 4.9429 8.2512 122.3985 61.7847 71.6045 173.0016 21 L 4.6194 8.5936 126.9632 53.0480 44.3302 175.6426 22 S 5.3933 9.3870 119.5253 56.9877 65.9445 172.3369 23 C 5.4411 9.2598 123.1997 55.0901 42.0396 172.3395 24 Q 5.4037 9.2792 126.4629 54.2150 30.6985 174.9298 25 Q 5.1553 8.9363 122.4887 54.8180 30.9830 175.5948 26 T 4.4462 8.6368 110.1446 61.9120 69.2289 174.8705 27 N 4.2950 8.1667 118.7116 53.0578 39.1442 174.5359 28 N 4.1691 8.0107 114.9561 54.5962 37.3974 173.4774 29 H 4.5849 8.3626 112.9770 54.9517 29.4929 175.7538 30 N 4.4380 8.8623 120.7045 56.0898 38.7931 175.3119 31 N 5.4187 7.5305 116.0413 51.7746 40.3934 174.6792 32 M 4.9546 7.5572 121.0670 53.9606 37.1793 173.5808 33 Y 5.1903 9.1815 117.6757 56.3072 43.0961 174.1556 34 W 5.2642 9.3043 122.3763 55.2501 32.3009 174.3259 35 Y 5.5910 10.1173 122.0485 56.2003 41.8773 174.5415 36 R 4.8534 8.7184 117.7339 54.5232 32.4693 174.6901 37 Q 5.3267 9.4270 124.1223 54.3413 30.5535 174.0331 38 D 5.1093 8.4521 126.5362 51.9642 43.8289 175.9489 39 T 3.9975 8.3960 113.0318 63.4729 68.9153 174.5717 40 G 3.9326 9.5187 112.8163 46.0025 0.0000 173.2628 41 H 4.8116 7.9377 112.8976 53.8305 32.9565 176.0024 42 G 3.5599 7.8453 109.2291 46.7808 0.0000 172.6954 43 L 5.0540 8.2926 122.7936 53.1764 43.3924 175.6790 44 R 4.8202 8.6777 122.4572 54.1101 33.2484 174.9341 45 L 4.2021 8.6451 125.7826 55.4869 43.0283 176.5027 46 I 4.1675 9.0531 128.1672 63.4258 38.1625 175.3368 47 H 5.4809 8.0266 117.3370 54.6717 33.8122 171.6480 48 Y 5.3639 8.7989 117.8773 56.4735 42.0400 173.3594 49 S 4.4130 7.8419 112.1599 57.6861 65.8703 174.8565 50 Y 4.8805 8.9944 124.0271 56.7452 38.0894 175.3752 51 G 4.2036 7.3188 110.6518 43.7877 0.0000 172.4579 52 V 3.8131 7.7792 119.4547 63.6243 31.1370 176.7046 53 G 3.9412 9.3055 112.6796 44.9186 0.0000 172.1846 54 N 5.2258 7.8636 117.7194 51.8423 41.5255 173.6293 55 T 4.8361 8.2585 113.6630 60.4124 72.3364 172.6688 56 E 4.6041 9.0611 121.8821 54.2790 34.1184 175.0603 57 K 4.3226 8.7125 122.5853 56.4691 32.5899 177.6462 58 G 4.1889 8.8358 116.9714 46.9354 0.0000 174.2532 59 D 4.7566 9.1017 121.1859 55.4705 41.7480 177.4682 60 I 4.7127 7.3303 110.6013 58.8619 35.5394 173.9728 61 P 4.5270 0.0000 0.0000 65.7181 32.6920 178.3979 62 D 4.3517 8.4463 119.7095 55.9341 41.3336 176.3900 63 G 3.6605 8.6714 109.1919 46.7598 0.0000 172.3677 *65 Y 5.4250 7.4405 115.0337 58.0119 39.4503 173.8506 66 E 4.8501 9.1120 120.6698 54.8224 33.7637 174.3004 67 A 4.9490 8.0503 120.3278 51.2834 22.5844 175.6284 68 S 4.5415 8.9929 113.0987 57.0268 66.4661 173.0551 69 R 5.1319 8.9738 126.9803 53.1737 29.6474 173.6773 70 P 4.3256 0.0000 0.0000 64.1589 32.2523 176.7099 71 S 4.6713 7.5704 111.2760 56.3974 66.2074 173.5811 72 Q 4.0735 8.6620 121.0242 59.3589 28.9365 177.0201 73 E 4.1964 8.1905 116.7095 58.0438 31.0013 176.3666 74 Q 5.1390 7.9644 120.8061 54.0952 31.9773 174.1547 75 F 5.4456 9.3960 128.4055 56.7514 42.7025 173.4291 76 S 5.3006 9.2602 122.2547 56.6197 66.2352 172.6302 77 L 4.5231 7.8062 125.4687 53.0979 44.1989 174.8942 78 I 4.7837 8.1148 127.0215 59.3317 39.7892 174.9238 79 L 4.3924 8.5438 128.8607 54.0632 41.6005 178.1212 80 V 3.4660 8.3491 125.1917 65.1277 31.7672 176.6425 81 S 4.6264 7.9016 112.3071 56.3866 63.6781 173.2808 82 A 4.6516 8.7951 126.7409 51.8477 19.3866 176.1794 83 T 4.7779 8.4749 114.8941 59.7136 71.0213 172.7244 84 P 4.3781 0.0000 0.0000 65.8262 31.5006 178.4980 85 S 4.3024 8.0468 110.6545 60.3063 63.0519 174.5687 86 Q 4.5480 8.2942 120.1664 56.2563 28.9349 175.3941 87 S 4.8213 8.0819 115.9320 58.3607 63.6210 173.6912 88 S 4.5608 8.5141 118.6645 58.4892 67.0666 175.1570 89 V 4.8188 7.3800 120.4854 61.3444 33.2932 173.7715 90 Y 5.2073 9.0535 125.8455 56.3374 40.7218 174.7001 91 F 5.5385 9.8579 122.5298 55.8848 42.6954 172.0078 92 C 5.2558 9.3431 117.1428 53.7860 42.2810 172.4191 93 A 5.2040 8.6625 120.4476 50.5476 22.6724 175.1836 94 S 5.2620 8.9406 113.9046 56.9496 65.4463 173.2825 95 G 4.7195 8.9331 107.2041 45.5391 0.0000 172.4559 96 V 4.7411 7.9312 118.6676 60.6399 35.3412 175.2289 97 G 3.7492 8.5108 111.4314 47.3237 0.0000 174.8802 98 G 3.8496 8.8036 113.6789 45.5026 0.0000 172.4840 99 T 4.4588 7.7598 115.3195 60.0328 69.1623 173.0088 100 L 4.9452 7.8395 126.0218 53.1337 45.8352 175.7388 101 Y 4.4520 8.7594 119.6310 56.3443 40.9653 174.6115 *108 F 4.7857 8.6636 122.4657 57.3826 40.5248 175.7994 109 G 4.0246 9.0896 111.5657 44.0509 0.0000 173.5179 110 A 4.3375 8.4594 120.4787 52.4851 18.9850 178.5725 111 G 3.1892 8.5383 102.4200 45.1441 0.0000 173.3852 112 T 5.0199 8.3548 117.3985 60.1567 71.8683 173.4162 113 R 4.4813 8.6472 128.3327 56.1399 31.3627 174.6382 114 L 5.2714 9.4114 129.2664 53.2809 45.0588 174.7841 115 S 5.0347 9.0885 120.5614 56.3968 65.5560 172.5726 116 V 4.7861 8.5177 126.3128 61.1281 33.6009 175.2345 117 L 4.4008 8.7127 127.3501 54.8410 41.3483 176.4884 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 A 8.26 4.28 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 3 A 7.83 4.37 1.25 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 0.00 0.00 0.00 4 V 8.63 4.69 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 0.97 0.00 0.00 5 T 9.25 4.76 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 1.24 0.00 0.00 6 Q 8.73 5.47 0.00 1.99 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.72 0.00 0.00 0.00 0.00 0.00 2.29 2.37 0.00 7 S 8.94 4.86 0.00 3.88 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 8 P 0.00 4.73 0.00 2.42 2.12 0.00 3.73 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.92 0.00 9 R 8.63 4.13 0.00 1.99 1.97 0.00 3.18 0.00 0.00 3.35 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.74 0.00 10 N 7.96 5.56 0.00 2.61 2.68 0.00 0.00 6.61 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 11 K 8.67 4.56 0.00 1.84 1.58 0.00 1.44 0.00 0.00 1.54 0.00 0.00 2.85 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.29 1.40 7.81 12 V 8.51 4.86 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 0.86 0.00 0.00 0.94 0.00 0.00 13 A 9.15 4.86 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 14 V 8.33 4.49 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 1.03 0.00 0.00 0.92 0.00 0.00 15 T 8.57 4.04 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 1.24 0.00 0.00 16 G 8.93 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 17 E 8.27 4.21 0.00 2.09 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 0.00 2.26 2.22 0.00 18 K 8.54 4.55 0.00 1.76 1.65 0.00 1.73 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.50 1.38 7.81 19 V 8.22 4.43 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 0.78 0.00 0.00 0.85 0.00 0.00 20 T 8.25 4.94 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 1.12 0.00 0.00 21 L 8.59 4.62 0.00 0.64 1.28 0.17 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 22 S 9.39 5.39 0.00 3.79 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 23 C 9.26 5.44 0.00 2.76 3.11 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 24 Q 9.28 5.40 0.00 1.99 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.50 0.00 0.00 0.00 0.00 0.00 2.33 2.45 0.00 25 Q 8.94 5.16 0.00 1.95 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.23 0.00 26 T 8.64 4.45 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 1.19 0.00 0.00 27 N 8.17 4.30 0.00 2.39 2.27 0.00 0.00 6.95 8.00 0.00 0.00 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 N 8.01 4.17 0.00 2.77 2.81 0.00 0.00 7.07 7.89 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 29 H 8.36 4.58 0.00 3.26 3.34 0.00 5.73 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.86 4.44 0.00 2.74 3.09 0.00 0.00 6.95 8.00 0.00 0.00 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 N 7.53 5.42 0.00 3.14 2.52 0.00 0.00 6.36 7.54 0.00 0.00 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 M 7.56 4.95 0.00 1.73 1.23 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 33 Y 9.18 5.19 0.00 2.79 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 0.00 0.00 0.00 0.00 34 W 9.30 5.26 0.00 3.21 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 35 Y 10.12 5.59 0.00 3.06 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 36 R 8.72 4.85 0.00 1.41 1.53 0.00 2.77 0.00 0.00 3.13 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.60 0.00 37 Q 9.43 5.33 0.00 2.26 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.78 0.00 0.00 0.00 0.00 0.00 2.32 2.15 0.00 38 D 8.45 5.11 0.00 2.68 2.51 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 39 T 8.40 4.00 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 1.22 0.00 0.00 40 G 9.52 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 41 H 7.94 4.81 0.00 3.26 3.27 0.00 5.81 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 G 7.85 3.56 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 0.00 0.00 0.00 0.00 43 L 8.29 5.05 0.00 1.40 1.50 0.75 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 44 R 8.68 4.82 0.00 1.80 1.87 0.00 3.17 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 45 L 8.65 4.20 0.00 1.81 1.58 0.48 0.89 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 46 I 9.05 4.17 1.75 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.50 0.58 0.00 0.00 47 H 8.03 5.48 0.00 3.13 3.27 0.00 5.56 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 8.80 5.36 0.00 2.53 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 49 S 7.84 4.41 0.00 3.13 2.63 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 50 Y 8.99 4.88 0.00 2.90 2.84 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 0.00 0.00 0.00 51 G 7.32 4.20 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 0.00 0.00 0.00 52 V 7.78 3.81 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 0.72 0.00 0.00 0.97 0.00 0.00 53 G 9.31 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 54 N 7.86 5.23 0.00 2.73 2.79 0.00 0.00 6.86 7.87 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 55 T 8.26 4.84 4.31 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 1.41 0.00 0.00 56 E 9.06 4.60 0.00 1.16 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 1.89 1.93 0.00 57 K 8.71 4.32 0.00 1.69 1.80 0.00 1.80 0.00 0.00 1.75 0.00 0.00 2.80 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.56 7.81 58 G 8.84 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 0.00 0.00 0.00 0.00 59 D 9.10 4.76 0.00 2.61 2.78 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 0.00 0.00 0.00 60 I 7.33 4.71 1.96 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 1.45 0.80 0.96 0.00 0.00 61 P 0.00 4.53 0.00 2.14 2.22 0.00 3.84 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.03 0.00 62 D 8.45 4.35 0.00 2.74 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 63 G 8.67 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *65 Y 7.44 5.43 0.00 3.05 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 66 E 9.11 4.85 0.00 1.78 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 2.19 2.20 0.00 67 A 8.05 4.95 1.06 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 0.00 0.00 68 S 8.99 4.54 0.00 3.86 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 69 R 8.97 5.13 0.00 2.00 1.77 0.00 3.64 0.00 0.00 2.99 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 70 P 0.00 4.33 0.00 2.24 2.19 0.00 4.18 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 2.03 1.99 0.00 71 S 7.57 4.67 0.00 3.94 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 72 Q 8.66 4.07 0.00 2.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 7.16 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 73 E 8.19 4.20 0.00 2.02 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 0.00 2.39 2.35 0.00 74 Q 7.96 5.14 0.00 2.45 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.76 0.00 0.00 0.00 0.00 0.00 2.29 2.40 0.00 75 F 9.40 5.45 0.00 2.97 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 76 S 9.26 5.30 0.00 3.72 3.62 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 77 L 7.81 4.52 0.00 0.27 0.15 0.70 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 78 I 8.11 4.78 1.79 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.27 0.83 0.00 0.00 79 L 8.54 4.39 0.00 1.52 1.45 0.67 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 80 V 8.35 3.47 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 0.60 0.00 0.00 0.88 0.00 0.00 81 S 7.90 4.63 0.00 3.79 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 82 A 8.80 4.65 1.27 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 0.00 0.00 83 T 8.47 4.78 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 1.15 0.00 0.00 84 P 0.00 4.38 0.00 2.21 2.11 0.00 3.64 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 85 S 8.05 4.30 0.00 3.99 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 86 Q 8.29 4.55 0.00 2.26 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 7.04 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 87 S 8.08 4.82 0.00 3.81 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 88 S 8.51 4.56 0.00 3.76 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 89 V 7.38 4.82 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 0.71 0.00 0.00 0.97 0.00 0.00 90 Y 9.05 5.21 0.00 3.08 3.11 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 91 F 9.86 5.54 0.00 3.12 3.23 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 92 C 9.34 5.26 0.00 2.13 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 93 A 8.66 5.20 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 8.94 5.26 0.00 3.94 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 95 G 8.93 4.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.93 4.74 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 0.79 0.00 0.00 0.97 0.00 0.00 97 G 8.51 3.75 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 0.00 0.00 0.00 98 G 8.80 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 99 T 7.76 4.46 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 1.32 0.00 0.00 100 L 7.84 4.95 0.00 1.42 1.18 0.79 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 101 Y 8.76 4.45 0.00 2.78 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 *108 F 8.66 4.79 0.00 2.98 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 0.00 109 G 9.09 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 0.00 0.00 0.00 110 A 8.46 4.34 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 0.00 111 G 8.54 3.19 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 0.00 0.00 0.00 0.00 112 T 8.35 5.02 4.37 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 1.26 0.00 0.00 113 R 8.65 4.48 0.00 1.96 1.83 0.00 3.20 0.00 0.00 3.30 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 114 L 9.41 5.27 0.00 1.76 1.74 0.95 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 115 S 9.09 5.03 0.00 3.92 3.66 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 0.00 0.00 0.00 0.00 116 V 8.52 4.79 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 0.82 0.00 0.00 0.94 0.00 0.00 117 L 8.71 4.40 0.00 1.72 1.54 0.92 1.15 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 * Residues marked with a * may have inaccurate shift predictions.