NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 G 3.9765 8.3393 109.7403 45.6405 0.0000 174.5785 0 S 4.1335 8.0357 119.2281 58.5545 64.0953 173.1196 1 Q 4.6025 7.9149 120.6348 53.8966 31.2624 175.8268 2 V 4.3153 8.2991 122.1051 63.1509 32.5242 175.1400 3 Q 4.5917 9.0920 126.2019 54.1583 32.5158 174.3324 4 L 4.6752 8.6701 124.3640 53.4448 42.7168 176.3984 5 V 4.0848 8.4796 126.1491 61.8555 32.4460 174.4893 6 E 5.4307 8.7689 128.0326 55.1683 31.2641 175.6308 7 S 4.5828 9.1075 117.3181 57.3920 67.3887 177.4203 8 G 4.0318 8.4156 112.0075 45.5065 0.0000 178.8715 9 G 3.5923 9.2292 116.0860 43.7887 0.0000 170.1472 10 G 3.7212 8.1820 103.8507 43.7415 0.0000 171.7780 11 L 5.0108 8.1984 121.2068 54.4861 43.1029 177.6177 12 V 4.5741 8.5964 124.1342 60.4902 35.2938 173.6794 13 Q 4.6451 8.8796 120.3579 54.3442 30.2588 175.4806 14 A 4.2401 8.6372 125.5350 54.3028 18.7875 178.5187 15 G 3.9287 9.3293 110.9908 45.2076 0.0000 173.9774 16 G 3.9952 7.6966 108.8048 44.4701 0.0000 172.5886 17 S 4.9013 8.1419 113.0324 56.7297 66.5552 173.3800 18 L 4.7241 7.9293 121.0473 53.0564 45.6438 175.5049 19 R 4.5970 8.2039 120.3797 54.5888 32.9056 174.1690 20 L 4.7350 8.4839 126.8301 53.2805 43.8256 175.7392 21 S 4.7217 8.9783 116.7399 56.7293 66.9170 172.1714 22 C 5.8900 8.8872 120.5796 54.7498 46.5566 172.2468 23 A 5.2801 8.6506 127.1906 50.0242 21.4283 174.5053 24 A 5.0166 9.0304 126.0969 51.4118 19.8206 176.8035 25 S 4.7558 9.3453 116.5957 57.2529 66.3695 175.3798 26 G 4.0803 9.3366 108.4096 46.3769 0.0000 172.5206 27 Y 4.6934 7.6060 120.1271 55.6551 40.4601 175.1150 28 A 3.8315 7.7689 129.1742 53.1005 19.3203 175.6979 29 Y 4.6233 5.4593 112.7673 56.1775 40.7881 173.9328 30 T 4.7345 8.2544 116.8218 62.3590 70.2690 174.0515 31 Y 4.4067 8.9749 125.4688 58.1000 38.7074 176.2721 32 I 3.8392 8.9281 126.1158 64.2838 37.2486 175.5261 33 Y 4.8329 8.1465 116.1768 55.8770 40.7948 174.1482 35 G 3.8322 6.5068 107.6739 46.6660 0.0000 171.4285 36 W 5.4028 8.5331 119.6485 54.8246 32.0578 175.6222 37 F 5.4544 9.7771 122.7507 55.7908 42.5853 174.2996 38 R 5.1075 9.2014 115.8100 54.8065 33.3983 173.9872 39 Q 4.7824 9.2145 121.9938 54.3448 31.4656 174.4435 40 A 4.7142 8.4820 128.6369 50.3914 20.4479 174.7251 41 P 4.3055 0.0000 0.0000 64.5319 31.7234 177.2773 42 G 3.9970 9.1912 110.3923 45.3886 0.0000 172.9506 43 K 4.6947 7.7164 117.4725 54.0663 35.9073 176.0778 44 E 4.1959 8.4732 120.1940 55.7097 30.1719 177.0757 45 R 4.2725 8.2865 121.2622 56.7594 30.8235 175.5491 46 E 4.9153 9.2000 121.7586 54.2960 33.5132 174.8323 47 G 3.2549 8.8817 108.9863 46.6506 0.0000 172.8783 48 V 4.4077 8.5913 124.3036 64.1143 33.7092 175.3100 49 A 5.0079 7.5611 118.9854 51.2019 22.7124 174.8520 50 A 4.7473 8.3640 121.5243 50.8874 23.7321 174.7634 *52 D 4.7337 8.7321 116.6929 53.1209 40.2205 176.6943 53 S 4.2774 8.3852 113.2443 60.7166 63.0965 175.2739 54 G 3.6840 8.1411 108.2724 45.7309 0.0000 174.4563 55 G 3.8880 8.6440 108.8509 45.2672 0.0000 173.8233 56 G 4.1376 7.8797 109.2523 45.2243 0.0000 173.9923 57 G 4.1615 8.6346 107.4503 45.5040 0.0000 173.6885 58 T 4.2837 7.9671 115.7071 63.0872 69.2932 174.1231 59 L 4.9260 8.4520 125.2430 53.1507 46.0090 175.1576 60 Y 5.3522 8.4650 118.3877 55.7009 41.9122 175.2581 61 A 4.0506 8.9164 125.0599 52.1967 18.8334 178.2821 62 D 4.3037 9.0298 120.8755 57.3939 41.4219 178.5494 63 S 4.2512 7.9614 111.3964 59.8287 63.5020 174.6981 64 V 3.7758 7.5312 113.3690 60.3349 32.7305 175.4573 65 K 3.7031 7.2872 121.6661 57.7876 32.2427 176.9099 66 G 3.9616 8.7293 114.4410 45.0733 0.0000 173.7571 67 R 4.5532 7.7611 116.7676 56.5158 32.6275 176.3746 68 F 5.3268 8.0907 115.7204 56.1227 41.4801 175.7285 69 T 4.8332 8.9617 118.6249 61.9548 71.8261 172.9207 70 I 5.0724 9.1950 127.6043 60.0622 39.6544 174.8954 71 S 4.8003 9.1299 121.3380 56.7222 66.7125 174.3185 72 R 5.1641 8.8111 118.6588 55.1571 31.2283 175.4267 73 D 4.8474 8.2710 115.3485 53.2062 39.5712 176.5443 74 K 4.4873 8.5402 118.4881 55.1614 32.9878 174.8600 75 G 4.1993 8.3588 102.5896 42.7347 0.0000 173.9437 76 K 4.0051 8.3997 123.7554 57.7159 32.9273 176.3988 77 N 4.3822 8.8210 122.2994 54.8691 36.6166 173.4132 78 T 5.3621 7.6610 106.3748 60.0005 72.5038 173.6604 79 V 5.0570 8.7834 122.3208 60.6346 35.2320 173.5828 80 Y 5.2815 9.6115 120.9429 56.1803 42.2062 174.5654 81 L 4.9502 8.5625 123.6820 53.4526 44.8896 175.9642 82 Q 4.2196 8.7098 129.0234 55.1365 31.3204 174.0762 *84 D 4.5862 8.2449 118.8143 54.6295 42.0742 175.1213 85 S 3.7412 8.5755 113.0766 59.6188 60.5566 173.4506 86 L 4.4157 7.8377 119.3906 54.8407 42.4756 177.2277 87 K 4.9276 9.2025 121.6784 53.7018 35.2019 175.5308 88 P 4.5148 0.0000 0.0000 65.0884 31.3035 178.2163 89 E 4.2255 8.0659 113.1918 57.8323 29.7384 177.0251 90 D 4.7105 8.2324 119.3622 55.7616 41.2824 176.6878 91 T 4.2956 8.0587 117.2164 64.0830 68.8933 173.4666 92 A 4.4315 8.6181 126.7408 51.9666 23.8195 174.9503 93 T 4.6225 8.0145 116.5308 63.3148 69.8083 174.0033 94 Y 5.0057 9.0924 125.0081 56.9058 40.1790 174.2789 95 Y 5.3515 9.5542 121.5054 56.3474 41.5405 174.4271 96 C 4.0016 9.7455 124.3605 56.1584 41.4348 172.0874 97 A 4.6065 8.0879 124.8043 50.0845 22.2831 174.8618 98 A 4.4310 8.4194 120.8511 51.1897 22.8005 177.2621 99 G 3.9542 9.1145 109.1877 45.1833 0.0000 174.6167 100 G 3.3058 6.4938 108.1039 44.1169 0.0000 173.0941 101 Y 4.4313 7.6519 122.8414 56.9652 42.6622 174.7018 102 E 2.6740 5.9000 126.7450 57.8833 28.1957 175.3344 103 L 4.4937 8.2580 124.4367 55.5562 42.2287 176.4168 104 R 4.5403 7.9636 119.9903 54.7983 29.9411 177.2320 105 D 4.4038 8.8711 124.4034 56.1140 39.7504 179.0122 106 R 4.0686 8.1006 118.0220 58.7359 30.3629 177.4117 107 T 4.1927 8.1957 107.3254 62.6061 69.4841 173.8893 108 Y 4.3418 7.9203 120.8218 56.9274 38.7599 175.5104 109 G 4.0803 8.4978 111.5588 45.2183 0.0000 172.8373 110 Q 4.7276 7.4570 119.5947 53.7877 31.3424 174.8254 111 W 5.0869 8.6896 122.8976 54.4332 32.7510 175.5466 112 G 3.9690 9.1853 111.7970 46.3921 0.0000 173.8340 113 Q 4.3314 8.7871 118.5785 56.4058 29.2649 177.3534 114 G 3.6213 8.7394 106.7150 45.0944 0.0000 173.1692 115 T 4.6280 8.6714 119.4422 61.2655 72.0806 173.2403 116 Q 4.3598 8.7509 127.9402 56.0366 30.7857 174.5382 117 V 4.7722 9.0142 126.1683 61.4104 34.4907 174.0833 118 T 4.9153 8.7636 124.3997 61.7248 71.3069 173.0720 119 V 4.7695 8.8573 127.6364 61.1999 32.8949 174.7506 120 S 4.5940 8.8190 123.6964 57.4622 65.1809 174.8923 121 S 4.3454 8.4713 116.4640 58.9683 62.7889 174.2409 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 G 8.34 3.98 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 0.00 0.00 0.00 0 S 8.04 4.13 0.00 4.09 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 1 Q 7.91 4.60 0.00 2.13 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 7.14 0.00 0.00 0.00 0.00 0.00 2.39 2.29 0.00 2 V 8.30 4.32 2.16 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 0.89 0.00 0.00 1.12 0.00 0.00 3 Q 9.09 4.59 0.00 2.04 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.58 0.00 0.00 0.00 0.00 0.00 2.29 2.50 0.00 4 L 8.67 4.68 0.00 1.49 1.53 0.73 0.86 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 5 V 8.48 4.08 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 0.97 0.00 0.00 0.95 0.00 0.00 6 E 8.77 5.43 0.00 1.97 2.03 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 2.39 2.32 0.00 7 S 9.11 4.58 0.00 3.82 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 8 G 8.42 4.03 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 0.00 0.00 0.00 9 G 9.23 3.59 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 0.00 10 G 8.18 3.72 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 11 L 8.20 5.01 0.00 1.64 1.55 0.92 0.81 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 12 V 8.60 4.57 2.03 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 0.63 0.00 0.00 0.94 0.00 0.00 13 Q 8.88 4.65 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.04 0.00 0.00 0.00 0.00 0.00 2.44 2.26 0.00 14 A 8.64 4.24 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.33 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 16 G 7.70 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 0.00 0.00 0.00 17 S 8.14 4.90 0.00 3.79 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 18 L 7.93 4.72 0.00 1.29 1.27 0.80 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.20 4.60 0.00 1.90 1.69 0.00 3.40 0.00 0.00 3.37 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.75 0.00 20 L 8.48 4.74 0.00 0.32 0.66 -0.01 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.98 4.72 0.00 2.77 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 22 C 8.89 5.89 0.00 2.90 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 23 A 8.65 5.28 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 24 A 9.03 5.02 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 25 S 9.35 4.76 0.00 3.91 3.98 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 26 G 9.34 4.08 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 0.00 0.00 0.00 27 Y 7.61 4.69 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 28 A 7.77 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 Y 5.46 4.62 0.00 2.41 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 30 T 8.25 4.73 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 31 Y 8.97 4.41 0.00 3.06 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 32 I 8.93 3.84 1.99 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 1.46 0.86 0.96 0.00 0.00 33 Y 8.15 4.83 0.00 3.17 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 35 G 6.51 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 0.00 0.00 0.00 36 W 8.53 5.40 0.00 3.31 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 37 F 9.78 5.45 0.00 3.33 3.13 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 0.00 38 R 9.20 5.11 0.00 1.10 1.07 0.00 2.45 0.00 0.00 2.90 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.43 0.00 39 Q 9.21 4.78 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.99 0.00 0.00 0.00 0.00 0.00 2.26 2.39 0.00 40 A 8.48 4.71 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 41 P 0.00 4.31 0.00 2.06 2.05 0.00 3.82 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 42 G 9.19 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 0.00 0.00 0.00 43 K 7.72 4.69 0.00 1.84 1.67 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.52 7.81 44 E 8.47 4.20 0.00 1.96 1.87 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 2.29 2.29 0.00 45 R 8.29 4.27 0.00 1.64 1.75 0.00 2.70 0.00 0.00 2.65 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.78 0.00 46 E 9.20 4.92 0.00 2.04 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 2.20 2.27 0.00 47 G 8.88 3.25 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 0.00 48 V 8.59 4.41 2.42 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 1.40 0.00 0.00 1.03 0.00 0.00 49 A 7.56 5.01 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 50 A 8.36 4.75 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 *52 D 8.73 4.73 0.00 2.60 1.80 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 53 S 8.39 4.28 0.00 4.02 4.24 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 54 G 8.14 3.68 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 0.00 0.00 0.00 55 G 8.64 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 0.00 0.00 0.00 56 G 7.88 4.14 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 0.00 57 G 8.63 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 0.00 0.00 0.00 0.00 58 T 7.97 4.28 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 1.02 0.00 0.00 59 L 8.45 4.93 0.00 1.46 1.43 0.78 0.55 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 60 Y 8.47 5.35 0.00 2.83 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 61 A 8.92 4.05 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 62 D 9.03 4.30 0.00 2.69 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 63 S 7.96 4.25 0.00 3.94 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 64 V 7.53 3.78 0.75 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 0.16 0.00 0.00 0.94 0.00 0.00 65 K 7.29 3.70 0.00 1.68 1.65 0.00 1.83 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.27 7.81 66 G 8.73 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 67 R 7.76 4.55 0.00 1.72 2.29 0.00 3.30 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.49 0.00 68 F 8.09 5.33 0.00 2.75 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 69 T 8.96 4.83 4.29 0.00 0.00 0.00 0.00 0.00 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 70 I 9.20 5.07 2.02 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 1.43 1.27 0.84 0.00 0.00 71 S 9.13 4.80 0.00 4.08 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 72 R 8.81 5.16 0.00 1.81 1.97 0.00 3.29 0.00 0.00 4.01 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.62 0.00 73 D 8.27 4.85 0.00 2.76 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 74 K 8.54 4.49 0.00 1.35 1.56 0.00 0.91 0.00 0.00 1.35 0.00 0.00 2.87 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.13 1.02 7.81 75 G 8.36 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 76 K 8.40 4.01 0.00 1.75 1.75 0.00 1.90 0.00 0.00 1.68 0.00 0.00 3.08 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.48 7.81 77 N 8.82 4.38 0.00 3.02 3.05 0.00 0.00 6.66 7.05 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 78 T 7.66 5.36 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 79 V 8.78 5.06 2.13 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 0.49 0.00 0.00 1.18 0.00 0.00 80 Y 9.61 5.28 0.00 2.86 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 81 L 8.56 4.95 0.00 0.77 0.53 1.08 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 82 Q 8.71 4.22 0.00 2.19 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.21 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 *84 D 8.24 4.59 0.00 2.87 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 85 S 8.58 3.74 0.00 4.01 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 86 L 7.84 4.42 0.00 1.86 1.61 0.84 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 87 K 9.20 4.93 0.00 1.85 1.85 0.00 1.67 0.00 0.00 1.84 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.52 7.81 88 P 0.00 4.51 0.00 2.19 2.13 0.00 3.88 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.07 0.00 89 E 8.07 4.23 0.00 2.09 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 2.29 2.28 0.00 90 D 8.23 4.71 0.00 2.95 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 91 T 8.06 4.30 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 1.26 0.00 0.00 92 A 8.62 4.43 1.19 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 93 T 8.01 4.62 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 0.75 0.00 0.00 94 Y 9.09 5.01 0.00 2.97 3.13 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 0.00 95 Y 9.55 5.35 0.00 3.29 3.22 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 96 C 9.75 4.00 0.00 1.90 2.56 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 97 A 8.09 4.61 -0.47 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 0.00 0.00 98 A 8.42 4.43 0.21 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 99 G 9.11 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 0.00 100 G 6.49 3.31 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 0.00 101 Y 7.65 4.43 0.00 2.76 2.62 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 0.00 102 E 5.90 2.67 0.00 1.38 1.12 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 1.48 1.47 0.00 103 L 8.26 4.49 0.00 1.56 1.55 0.85 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 104 R 7.96 4.54 0.00 2.14 2.01 0.00 3.19 0.00 0.00 3.28 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.63 0.00 105 D 8.87 4.40 0.00 2.70 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 0.00 106 R 8.10 4.07 0.00 1.87 2.07 0.00 3.19 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 107 T 8.20 4.19 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 1.27 0.00 0.00 108 Y 7.92 4.34 0.00 2.80 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 0.00 0.00 0.00 0.00 109 G 8.50 4.08 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 0.00 0.00 0.00 110 Q 7.46 4.73 0.00 1.64 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.71 0.00 0.00 0.00 0.00 0.00 2.10 2.26 0.00 111 W 8.69 5.09 0.00 3.05 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 0.00 112 G 9.19 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 0.00 0.00 0.00 113 Q 8.79 4.33 0.00 2.12 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.67 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 114 G 8.74 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 0.00 0.00 0.00 115 T 8.67 4.63 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 1.22 0.00 0.00 116 Q 8.75 4.36 0.00 2.18 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.85 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 117 V 9.01 4.77 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 0.80 0.00 0.00 0.52 0.00 0.00 118 T 8.76 4.92 4.24 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 1.22 0.00 0.00 119 V 8.86 4.77 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 1.03 0.00 0.00 0.96 0.00 0.00 120 S 8.82 4.59 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 0.00 121 S 8.47 4.35 0.00 3.88 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 * Residues marked with a * may have inaccurate shift predictions.