NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 G 3.9863 8.3549 109.7249 45.7400 0.0000 175.3668 17 I 3.6253 7.2120 120.1538 63.2169 37.2895 175.6577 18 T 3.9528 7.8809 116.5162 63.3208 69.8973 174.1231 19 G 3.4932 8.1270 114.6964 44.8485 0.0000 170.7646 20 T 4.5165 7.6034 117.9977 61.6370 69.9178 174.4147 21 W 4.5741 8.9591 126.8806 54.7689 32.4465 174.3422 22 Y 5.3977 9.4501 121.2223 56.5300 40.6460 175.5293 23 N 5.1785 8.6661 121.1597 51.1455 39.5438 174.6641 24 Q 4.2206 8.7066 115.6475 58.2247 29.4357 177.2863 25 L 4.4134 8.5259 118.1506 54.6043 41.5487 178.0110 26 G 4.2123 7.9328 111.0377 45.6825 0.0000 174.7429 27 S 4.4765 7.7760 113.6658 59.4374 63.8122 173.8036 28 T 5.1813 9.2204 120.4907 61.9572 72.5877 172.9252 29 F 5.5520 8.8448 120.4409 53.9021 41.6927 173.5707 30 I 4.6510 8.2140 121.2069 59.8160 39.4051 174.9962 31 V 4.9084 8.9345 119.6129 59.8423 36.5396 174.5437 32 T 4.8015 8.8217 119.7882 61.6924 71.0845 173.1825 33 A 4.7871 8.4705 129.7476 50.9943 19.0920 177.5157 34 G 3.9069 9.1142 112.5262 44.4187 0.0000 173.3130 35 A 4.1176 8.6945 122.8433 54.7952 18.4940 178.0186 36 D 4.3631 7.7144 116.8997 54.3858 39.9306 176.0320 37 G 3.2732 7.5881 109.9477 44.6372 0.0000 171.1460 38 A 4.6066 8.0824 125.8358 51.0544 20.2862 177.1702 39 L 5.1513 8.9662 123.2964 53.6001 45.0859 175.5174 40 T 4.9007 8.5776 122.4000 62.2590 73.1511 173.8362 41 G 4.3743 8.0317 110.4166 47.0489 0.0000 171.8513 42 T 5.2400 8.0005 108.8730 60.0471 72.8189 172.1299 43 Y 4.9551 9.7821 125.7497 56.2863 41.0998 174.6903 44 E 5.2427 9.2136 129.3731 53.7795 33.3133 173.9489 *49 N 4.5220 8.5171 117.2212 53.0083 38.9279 174.1653 50 A 3.9996 8.5678 129.3952 55.4128 18.3994 179.4586 51 E 3.9757 7.5939 113.2820 58.6601 29.6984 177.8120 52 S 4.8377 8.9642 114.8798 58.1818 64.5482 173.8666 53 R 4.7494 7.9584 120.4819 55.8942 30.6715 175.6228 54 Y 4.9719 9.8418 121.1848 55.8108 42.6289 174.9904 55 V 4.1727 8.6230 122.0972 62.9684 32.5623 175.1188 56 L 5.0816 8.8550 127.4484 54.4700 44.0006 175.1709 57 T 4.9821 8.6513 114.1595 61.5283 71.3088 173.1243 58 G 4.2111 9.2186 113.7943 46.4705 0.0000 171.7491 59 R 6.0300 9.0028 117.6335 55.2847 35.0444 173.9881 60 Y 5.2746 8.2710 118.9783 55.2144 42.1834 174.4196 61 D 4.4099 9.5836 120.2699 53.5121 40.4439 176.6345 62 S 4.3922 8.1517 120.5032 59.1078 63.5974 175.1892 63 A 4.6815 8.2299 124.4038 50.4784 19.4945 174.0746 64 P 4.9511 0.0000 0.0000 60.7296 32.6932 177.0399 65 A 4.1831 8.4031 122.3196 53.1320 18.6369 177.4191 66 T 4.5559 8.2980 107.3487 61.6973 68.9948 174.2807 67 D 4.6281 8.1415 119.9341 53.7816 39.3748 177.2725 68 G 3.9342 8.3047 105.9190 46.2544 0.0000 174.6933 69 S 4.2360 8.9213 116.3445 58.3933 63.3451 174.7965 70 G 3.9820 8.3137 110.3002 46.1408 0.0000 172.5138 71 T 4.7330 8.9401 117.4759 61.6018 69.8653 174.7754 72 A 4.6511 8.6454 129.2107 52.8065 19.4863 176.0005 73 L 4.8524 9.0459 121.0453 55.6804 44.6692 173.6282 74 G 4.6240 9.4753 106.0189 46.0072 0.0000 171.9010 75 W 5.5565 8.4129 116.6333 55.8955 32.2910 173.3617 76 T 5.2477 9.5618 116.2378 61.7648 72.3048 173.5899 77 V 4.4350 8.8121 124.8351 60.8570 34.1003 174.1620 78 A 4.2682 8.2740 130.0588 50.4018 19.6570 178.1282 79 W 4.1359 8.6709 125.3448 55.1323 27.8807 175.7916 80 K 5.2210 7.7682 118.7245 54.6144 35.0525 174.6840 81 N 4.9489 9.4585 122.1673 51.9284 39.9777 174.3402 82 N 4.4050 8.4239 114.3143 54.7562 38.6421 175.1027 83 Y 4.6982 7.7377 115.3403 58.6144 40.4386 176.1381 84 R 4.7454 9.8352 117.5320 54.4633 34.2743 174.0109 85 N 5.1356 8.5344 117.4529 52.3907 40.5526 173.9330 86 A 4.3158 9.3876 128.8496 52.0147 19.4987 176.2829 87 H 4.1544 9.1390 113.3312 56.0102 26.7952 174.0246 88 S 5.2396 7.6133 110.7672 57.4751 66.8848 173.0735 89 A 4.9329 8.9237 121.3579 50.5420 22.5234 175.0986 90 T 4.8893 8.8240 118.6023 61.7168 71.5542 173.4711 91 T 4.9848 8.7234 115.8317 59.6077 72.0406 172.6906 92 W 4.8773 8.9240 124.9129 54.8124 31.4904 174.6060 93 S 4.9714 9.3703 120.8903 56.9249 64.3879 172.6231 94 G 4.8505 9.0655 114.8713 47.3307 0.0000 171.6283 95 Q 5.2584 8.4496 117.5225 54.8886 32.5675 173.4283 96 Y 4.9048 9.1741 123.0448 57.0502 40.7386 174.4825 97 V 4.0872 8.3413 126.2364 60.9539 33.7784 175.5577 98 G 3.7630 7.5564 119.0540 44.5637 0.0000 169.8861 99 G 3.7732 8.7414 104.8194 44.0863 0.0000 172.1413 100 A 3.9485 8.0265 120.1288 55.1342 18.8514 178.7478 101 E 4.2451 7.6854 121.0722 54.8719 28.4669 175.7584 102 A 4.7544 7.9629 124.2353 51.3924 20.1591 176.8148 103 R 5.2985 9.4441 118.6523 54.7372 35.2961 174.4888 104 I 4.7400 9.0220 123.7496 59.9844 39.3400 174.4166 105 N 5.4562 9.0435 126.3329 52.1614 40.2776 174.7195 106 T 5.2789 9.8253 114.5025 60.0188 73.0061 172.6133 107 Q 5.1426 9.9027 121.0909 53.7873 32.6145 174.9694 108 W 5.6178 8.2273 118.5780 53.6289 32.2515 173.8199 109 L 5.0765 8.3514 120.7286 52.9736 44.2466 174.8634 110 L 5.0880 9.3870 127.0429 53.8366 44.0668 174.9917 111 T 5.0757 8.8564 123.6404 61.9380 71.3557 173.3688 112 S 5.1063 8.6782 122.9865 56.5767 64.6409 174.6017 113 G 3.8908 8.8057 112.3136 47.0429 0.0000 172.8053 114 T 4.7952 8.3443 113.6560 59.3550 72.3888 173.2735 115 T 4.4757 8.0193 111.5950 61.0194 69.9808 175.4396 116 E 3.9261 8.9343 121.3899 59.8033 29.2331 179.2948 117 A 4.1180 8.1107 118.7012 54.7495 18.4422 178.1848 118 N 4.7932 7.8977 111.3453 52.9188 39.5058 176.3660 119 A 4.2455 8.5055 126.2691 54.1463 18.1707 179.9288 120 W 4.2666 8.3180 113.6288 58.5218 28.3911 176.7799 121 K 4.0642 6.5176 118.2135 56.2024 32.2503 177.3943 122 S 4.1913 7.7556 116.2740 60.7318 63.5772 173.3419 123 T 5.6421 7.3674 116.4420 60.7648 71.2219 173.5035 124 L 4.6762 8.5679 126.7245 53.6027 43.9179 176.1725 125 V 4.1453 7.5731 119.9644 60.3472 34.6488 175.6131 126 G 3.4632 6.0554 106.3777 46.3544 0.0000 171.6819 127 H 5.4487 8.3080 114.3528 54.4568 31.8008 172.3061 128 D 4.9637 9.1882 117.7225 53.2823 45.0765 174.1046 129 T 5.2290 8.3310 118.9614 62.0446 72.1825 172.6228 130 F 5.5111 9.4486 125.9900 56.0828 41.7926 175.1792 131 T 5.5395 9.6917 112.4268 59.9212 72.1168 174.9139 132 K 3.9701 8.5821 120.1103 57.5953 32.5568 177.6490 133 V 3.9285 7.4887 123.3387 62.9118 31.7972 174.6714 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 16 G 8.35 3.99 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 0.00 0.00 0.00 17 I 7.21 3.63 1.42 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 -0.16 0.60 0.00 0.00 18 T 7.88 3.95 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 1.16 0.00 0.00 19 G 8.13 3.49 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 0.00 0.00 0.00 0.00 20 T 7.60 4.52 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 0.38 0.00 0.00 21 W 8.96 4.57 0.00 1.78 2.61 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 0.00 0.00 0.00 0.00 22 Y 9.45 5.40 0.00 2.84 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 23 N 8.67 5.18 0.00 2.69 2.27 0.00 0.00 6.97 7.07 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 24 Q 8.71 4.22 0.00 2.18 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 7.13 0.00 0.00 0.00 0.00 0.00 2.48 2.41 0.00 25 L 8.53 4.41 0.00 1.96 1.74 0.97 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 26 G 7.93 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 27 S 7.78 4.48 0.00 4.08 4.10 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 0.00 0.00 0.00 0.00 28 T 9.22 5.18 4.18 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 0.87 0.00 0.00 29 F 8.84 5.55 0.00 2.89 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 30 I 8.21 4.65 1.79 0.00 0.00 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 1.11 0.65 0.86 0.00 0.00 31 V 8.93 4.91 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 0.62 0.00 0.00 0.86 0.00 0.00 32 T 8.82 4.80 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 1.18 0.00 0.00 33 A 8.47 4.79 0.61 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 0.00 0.00 0.00 0.00 0.00 0.00 34 G 9.11 3.91 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 0.00 0.00 0.00 35 A 8.69 4.12 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 36 D 7.71 4.36 0.00 2.66 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.59 3.27 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 0.00 38 A 8.08 4.61 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 39 L 8.97 5.15 0.00 1.94 1.56 0.67 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 40 T 8.58 4.90 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 1.20 0.00 0.00 41 G 8.03 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 0.00 0.00 0.00 0.00 42 T 8.00 5.24 4.39 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 1.22 0.00 0.00 43 Y 9.78 4.96 0.00 2.91 3.12 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 44 E 9.21 5.24 0.00 2.08 1.91 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 2.23 2.14 0.00 *49 N 8.52 4.52 0.00 2.78 2.78 0.00 0.00 6.76 8.15 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 50 A 8.57 4.00 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 0.00 0.00 51 E 7.59 3.98 0.00 2.05 1.97 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 2.07 1.47 0.00 52 S 8.96 4.84 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 53 R 7.96 4.75 0.00 1.68 1.90 0.00 3.12 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.83 0.00 54 Y 9.84 4.97 0.00 2.82 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 55 V 8.62 4.17 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 0.78 0.00 0.00 0.94 0.00 0.00 56 L 8.86 5.08 0.00 1.80 1.58 0.50 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 57 T 8.65 4.98 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 1.22 0.00 0.00 58 G 9.22 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 59 R 9.00 6.03 0.00 1.77 1.78 0.00 3.27 0.00 0.00 3.33 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 60 Y 8.27 5.27 0.00 3.08 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 61 D 9.58 4.41 0.00 2.70 2.70 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 62 S 8.15 4.39 0.00 3.97 3.38 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 63 A 8.23 4.68 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 64 P 0.00 4.95 0.00 2.25 2.17 0.00 3.21 0.00 0.00 4.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.19 0.00 65 A 8.40 4.18 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 66 T 8.30 4.56 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 67 D 8.14 4.63 0.00 2.80 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 68 G 8.30 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 69 S 8.92 4.24 0.00 3.88 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 70 G 8.31 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 71 T 8.94 4.73 4.58 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 1.51 0.00 0.00 72 A 8.65 4.65 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 73 L 9.05 4.85 0.00 2.03 1.99 1.19 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 74 G 9.48 4.62 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 75 W 8.41 5.56 0.00 3.33 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 76 T 9.56 5.25 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 1.14 0.00 0.00 77 V 8.81 4.44 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 -1.28 0.00 0.00 0.60 0.00 0.00 78 A 8.27 4.27 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 W 8.67 4.14 0.00 3.29 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 80 K 7.77 5.22 0.00 1.71 1.69 0.00 1.75 0.00 0.00 1.78 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.44 7.81 81 N 9.46 4.95 0.00 2.75 2.68 0.00 0.00 6.73 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 82 N 8.42 4.41 0.00 1.68 2.30 0.00 0.00 6.59 7.46 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 83 Y 7.74 4.70 0.00 3.06 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 84 R 9.84 4.75 0.00 1.85 1.87 0.00 3.49 0.00 0.00 3.30 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 85 N 8.53 5.14 0.00 2.62 2.61 0.00 0.00 6.96 7.96 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 86 A 9.39 4.32 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 87 H 9.14 4.15 0.00 3.37 3.40 0.00 5.63 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 S 7.61 5.24 0.00 4.03 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 89 A 8.92 4.93 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 T 8.82 4.89 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 -0.76 0.00 0.00 91 T 8.72 4.98 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 1.15 0.00 0.00 92 W 8.92 4.88 0.00 1.78 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 0.00 0.00 0.00 93 S 9.37 4.97 0.00 3.71 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 94 G 9.07 4.85 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 95 Q 8.45 5.26 0.00 2.16 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.97 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 96 Y 9.17 4.90 0.00 2.99 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 97 V 8.34 4.09 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 0.84 0.00 0.00 0.90 0.00 0.00 98 G 7.56 3.76 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 0.00 0.00 0.00 99 G 8.74 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 0.00 100 A 8.03 3.95 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 0.00 101 E 7.69 4.25 0.00 1.97 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 2.32 2.37 0.00 102 A 7.96 4.75 1.56 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 0.00 103 R 9.44 5.30 0.00 1.81 1.92 0.00 3.20 0.00 0.00 3.23 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 104 I 9.02 4.74 1.89 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 -0.36 1.17 0.00 0.00 105 N 9.04 5.46 0.00 2.74 2.83 0.00 0.00 6.11 6.40 0.00 0.00 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 T 9.83 5.28 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 1.60 0.00 0.00 107 Q 9.90 5.14 0.00 1.77 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.76 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00 108 W 8.23 5.62 0.00 2.61 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 0.00 0.00 0.00 0.00 109 L 8.35 5.08 0.00 1.52 1.54 0.86 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 110 L 9.39 5.09 0.00 1.81 1.83 1.04 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.86 5.08 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 1.22 0.00 0.00 112 S 8.68 5.11 0.00 3.72 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 0.00 113 G 8.81 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 0.00 114 T 8.34 4.80 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 1.21 0.00 0.00 115 T 8.02 4.48 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 1.21 0.00 0.00 116 E 8.93 3.93 0.00 2.10 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 2.42 2.46 0.00 117 A 8.11 4.12 1.37 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 0.00 0.00 0.00 118 N 7.90 4.79 0.00 2.65 2.63 0.00 0.00 6.78 8.18 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 0.00 119 A 8.51 4.25 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 W 8.32 4.27 0.00 3.63 3.27 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 0.00 121 K 6.52 4.06 0.00 1.04 0.74 0.00 1.33 0.00 0.00 1.38 0.00 0.00 2.83 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.46 0.85 7.81 122 S 7.76 4.19 0.00 3.98 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 0.00 123 T 7.37 5.64 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 1.21 0.00 0.00 124 L 8.57 4.68 0.00 1.77 1.69 0.98 0.81 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 0.00 125 V 7.57 4.15 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 0.51 0.00 0.00 0.61 0.00 0.00 126 G 6.06 3.46 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 0.00 0.00 0.00 0.00 127 H 8.31 5.45 0.00 3.19 3.18 0.00 5.70 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 D 9.19 4.96 0.00 3.14 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 0.00 129 T 8.33 5.23 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 1.39 0.00 0.00 130 F 9.45 5.51 0.00 3.12 3.27 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 0.00 131 T 9.69 5.54 4.39 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 1.41 0.00 0.00 132 K 8.58 3.97 0.00 1.52 1.53 0.00 1.29 0.00 0.00 0.88 0.00 0.00 2.75 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.30 0.81 7.81 133 V 7.49 3.93 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 0.73 0.00 0.00 0.90 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.