NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 S 4.5743 8.3349 119.0158 58.8785 63.8455 172.5923 16 Q 4.6157 9.2059 125.5545 51.2669 31.6384 173.2352 17 N 5.5163 9.0433 120.0007 51.1996 40.5919 173.2080 18 F 4.9746 9.0806 119.4557 55.2690 43.5473 174.5320 19 L 4.6905 8.7605 120.6610 55.2402 42.4902 176.3701 20 F 4.8953 8.9907 123.1602 56.8732 43.1198 173.5477 21 G 4.4723 6.8312 109.2636 45.4263 0.0000 171.9283 22 C 4.6001 7.7962 115.0045 56.2660 33.5328 171.9010 23 E 4.5585 8.5315 120.5456 54.3292 31.2650 174.8803 24 L 5.1357 8.5768 126.5314 52.9821 45.5497 175.6569 25 K 4.7903 8.8251 120.8568 55.7355 36.1261 176.7841 26 A 3.9351 8.6745 123.5937 55.1828 18.2107 178.2723 27 D 4.7674 7.9523 112.3005 53.2587 40.0114 177.5423 28 K 4.6293 7.9625 120.9185 56.2910 33.9272 175.6275 29 K 4.2462 8.1062 122.4610 57.7172 33.6497 176.5497 30 E 5.3383 8.1833 117.6261 54.5303 33.4338 174.8670 31 Y 4.5078 8.9938 122.8372 56.0062 42.1311 173.8651 32 S 4.7765 8.0589 122.0077 56.7731 63.7457 172.8447 33 F 4.6782 9.0882 131.4659 57.1959 40.2157 174.6515 34 K 4.8052 7.9596 124.5931 54.3347 35.8525 177.0170 35 V 4.1670 7.8645 122.1053 61.3060 33.3643 174.2572 *37 D 4.5763 9.0870 118.7806 54.1838 41.9855 176.0191 38 D 4.2009 9.1339 125.4225 56.7385 41.2579 176.5834 *40 N 4.6012 8.3833 118.4007 53.3735 40.8442 173.9440 41 E 4.3511 8.3979 120.4567 56.5760 30.6968 175.5896 42 H 5.4890 8.8627 120.7156 54.2139 32.1713 173.0701 43 Q 4.6860 9.1562 121.9600 54.5906 33.1799 172.8533 44 L 4.5769 8.7399 128.0858 53.4037 44.3139 174.8872 45 S 5.0782 8.7875 121.3750 56.3092 64.7748 172.7555 46 L 4.5336 8.9178 129.0068 55.1740 42.3188 177.6296 47 R 4.4942 9.4258 122.7007 57.6394 32.3392 176.2875 48 T 5.2314 7.6447 107.8194 60.0212 72.9015 172.6765 49 V 5.0740 8.7974 122.7600 61.2705 34.5857 174.4807 50 S 5.2076 9.1637 121.2036 56.9683 66.7181 172.8852 51 L 4.9251 8.6913 122.2479 53.7744 43.0646 176.9475 52 G 4.0909 9.1088 110.1016 45.2651 0.0000 174.3960 53 A 4.0950 8.8332 123.5104 54.9925 18.2250 178.8926 54 S 4.5349 7.9240 106.4802 58.0102 63.7832 174.3066 55 A 4.6235 7.7390 124.2130 51.6046 18.6854 177.6106 56 K 4.1737 8.2982 122.7935 56.2350 32.8439 177.5585 57 D 4.8709 8.3958 125.4332 53.7900 39.2612 174.4403 58 E 4.7947 8.0579 120.1027 53.9201 33.3078 174.7032 59 L 4.4007 8.4848 122.6557 55.5890 42.9551 175.5690 60 H 5.2099 9.8465 123.2113 53.9721 32.4206 172.8719 61 V 4.8528 8.8413 122.2407 61.1093 34.5268 174.0700 62 V 5.0628 8.8154 128.2462 61.0654 33.8027 174.1595 63 E 5.2822 9.3536 125.1203 54.4458 33.2682 174.4154 64 A 5.2369 8.8476 122.0936 50.1387 22.6586 174.8749 65 E 4.9363 8.9851 121.8906 54.9657 32.8296 175.1091 66 G 4.4068 8.4190 113.2528 46.4120 0.0000 171.5247 67 I 4.6783 8.4682 120.9653 60.2899 38.3728 175.7967 68 N 4.8381 8.6523 122.7844 51.3941 39.0430 175.3122 69 Y 4.2339 8.5662 118.4632 60.6294 38.8477 176.8334 70 E 3.7651 8.2202 117.7658 57.1838 29.9188 177.3477 71 G 4.0005 8.1205 106.1340 44.6058 0.0000 173.1196 72 K 4.3913 8.4042 121.8979 55.3485 33.9302 175.9365 73 T 4.6209 8.5294 124.1898 63.6307 68.9652 173.7654 74 I 4.7090 8.9940 120.1799 58.9128 41.4581 174.3209 75 K 5.1895 8.6206 122.1480 54.5861 34.2951 175.6743 76 I 4.6694 8.8058 118.2268 58.8242 40.8419 174.5075 77 A 4.4322 8.6324 127.2393 51.7827 18.2767 177.1748 78 L 4.3459 8.9625 123.8682 57.9409 42.5415 177.7883 79 A 4.5302 7.5116 116.3568 51.1488 22.4826 175.3824 80 S 5.1748 8.8324 116.5088 56.8283 65.3610 173.6367 81 L 5.0832 9.1338 124.3318 53.0476 46.2843 175.5714 82 K 4.9031 8.6703 121.2223 54.7610 35.3960 175.2863 83 P 4.3392 0.0000 0.0000 65.4484 31.4338 177.3179 84 S 4.5552 8.1422 109.9781 58.4477 63.6213 174.2370 85 V 4.1809 7.4772 118.8624 64.4632 33.3662 175.8980 86 Q 4.5853 8.2838 122.3705 54.7893 30.3140 172.0018 87 P 4.5416 0.0000 0.0000 64.5382 32.8656 176.2950 88 T 5.1752 7.7760 115.3815 61.7556 72.6542 173.4419 89 V 4.4704 8.8848 123.7592 61.2100 35.3125 173.9301 90 S 5.0778 8.6877 121.8997 56.9746 62.9439 173.6440 91 L 4.1287 8.8471 127.7837 54.8216 42.2745 178.3009 92 G 3.7405 8.4461 105.7982 46.0933 0.0000 174.1437 93 G 4.2927 8.2619 105.0823 46.3830 0.0000 175.6315 94 F 4.4935 8.5394 121.6079 57.4608 40.3815 174.9509 95 E 4.8777 8.8800 126.5611 56.1525 30.3822 176.5608 96 I 4.7271 9.0051 124.3452 59.7762 41.6269 174.5463 97 T 4.5577 8.5281 122.8558 62.2676 69.1420 173.3396 98 P 4.5827 0.0000 0.0000 61.7241 32.2198 174.1846 99 P 5.0146 0.0000 0.0000 62.8441 32.8076 175.7520 100 V 4.7346 8.7117 119.3228 60.5918 35.2135 173.3017 101 I 4.7978 8.6611 124.6534 60.1192 39.1037 174.5058 102 L 5.0984 9.0719 127.4072 53.4189 43.7433 175.6662 103 R 4.9713 9.0759 123.1933 54.6128 34.1234 174.0067 104 L 4.5802 9.1515 128.7243 54.0943 41.0311 176.0227 105 K 4.3238 8.8515 128.9502 59.0345 32.8302 176.8491 106 S 4.5722 8.0641 112.2860 57.6667 65.0507 174.5564 107 G 3.9400 8.8680 107.3307 45.1790 0.0000 174.9641 108 S 4.1807 9.0831 115.6152 59.0996 63.4665 176.3138 109 G 4.0451 7.8679 109.6748 43.4687 0.0000 170.4150 110 P 4.6595 0.0000 0.0000 62.7973 32.6565 175.6350 111 V 4.8026 8.5405 121.5154 61.3293 35.0862 173.6715 112 Y 4.9787 9.0145 123.5812 56.0925 41.4689 174.6050 113 V 4.9733 8.6521 123.2912 61.1449 34.3072 174.5569 114 S 5.1437 9.0265 121.9880 56.8475 66.7461 174.2518 115 G 3.9206 7.9206 106.5236 46.1100 0.0000 171.7874 116 Q 5.2668 8.1450 118.1317 54.3924 32.7240 174.5822 117 H 5.1181 9.6607 123.0603 54.7871 31.7204 173.1511 118 L 5.1577 9.0549 127.4751 53.6571 43.6386 176.1500 119 V 4.8715 9.1913 123.2448 61.0671 35.2019 175.1145 120 A 4.4086 8.7015 128.6281 52.1353 19.3382 175.4584 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 15 S 8.33 4.57 0.00 3.41 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 16 Q 9.21 4.62 0.00 2.09 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.71 0.00 0.00 0.00 0.00 0.00 2.26 2.41 0.00 17 N 9.04 5.52 0.00 2.64 2.71 0.00 0.00 5.86 7.43 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 18 F 9.08 4.97 0.00 3.14 3.02 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 19 L 8.76 4.69 0.00 1.61 1.66 0.94 0.77 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 20 F 8.99 4.90 0.00 3.24 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 21 G 6.83 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 0.00 0.00 0.00 0.00 22 C 7.80 4.60 0.00 2.41 1.68 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 23 E 8.53 4.56 0.00 1.90 1.76 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 1.91 1.47 0.00 24 L 8.58 5.14 0.00 1.47 1.47 0.93 0.73 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 25 K 8.83 4.79 0.00 1.75 1.84 0.00 1.30 0.00 0.00 1.63 0.00 0.00 3.09 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.23 1.36 7.81 26 A 8.67 3.94 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 27 D 7.95 4.77 0.00 2.78 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 K 7.96 4.63 0.00 1.72 1.67 0.00 1.84 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.36 1.56 7.81 29 K 8.11 4.25 0.00 1.76 1.84 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.52 1.69 7.81 30 E 8.18 5.34 0.00 1.81 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 2.21 2.27 0.00 31 Y 8.99 4.51 0.00 3.14 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 32 S 8.06 4.78 0.00 3.79 3.53 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.09 4.68 0.00 3.35 3.04 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 0.00 0.00 0.00 34 K 7.96 4.81 0.00 1.41 1.46 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.24 1.30 7.81 35 V 7.86 4.17 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 0.69 0.00 0.00 0.53 0.00 0.00 *37 D 9.09 4.58 0.00 2.70 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.13 4.20 0.00 2.83 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.38 4.60 0.00 2.75 2.70 0.00 0.00 6.89 7.66 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 41 E 8.40 4.35 0.00 1.97 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 2.34 2.30 0.00 42 H 8.86 5.49 0.00 3.11 3.34 0.00 5.67 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 9.16 4.69 0.00 2.15 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.80 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 44 L 8.74 4.58 0.00 0.89 1.17 -0.94 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.79 5.08 0.00 3.89 3.70 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 46 L 8.92 4.53 0.00 1.64 1.57 0.68 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 47 R 9.43 4.49 0.00 1.82 1.96 0.00 3.26 0.00 0.00 3.25 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.72 0.00 48 T 7.64 5.23 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 49 V 8.80 5.07 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 1.16 0.00 0.00 0.96 0.00 0.00 50 S 9.16 5.21 0.00 3.91 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 51 L 8.69 4.93 0.00 1.54 1.59 0.88 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 52 G 9.11 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 53 A 8.83 4.10 1.30 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 0.00 0.00 54 S 7.92 4.53 0.00 4.01 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 55 A 7.74 4.62 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 56 K 8.30 4.17 0.00 1.78 1.75 0.00 1.81 0.00 0.00 1.63 0.00 0.00 3.08 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.39 7.81 57 D 8.40 4.87 0.00 2.73 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 58 E 8.06 4.79 0.00 1.93 1.85 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 2.34 2.12 0.00 59 L 8.48 4.40 0.00 1.67 1.61 1.00 0.94 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 60 H 9.85 5.21 0.00 3.01 3.15 0.00 5.61 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 V 8.84 4.85 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 0.96 0.00 0.00 0.94 0.00 0.00 62 V 8.82 5.06 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 1.02 0.00 0.00 0.94 0.00 0.00 63 E 9.35 5.28 0.00 2.18 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 2.18 2.23 0.00 64 A 8.85 5.24 1.11 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 0.00 0.00 65 E 8.99 4.94 0.00 1.99 1.77 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 2.19 2.33 0.00 66 G 8.42 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.47 4.68 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 1.48 0.88 0.88 0.00 0.00 68 N 8.65 4.84 0.00 3.02 3.02 0.00 0.00 6.38 7.44 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 69 Y 8.57 4.23 0.00 2.95 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 70 E 8.22 3.77 0.00 2.05 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 2.34 2.39 0.00 71 G 8.12 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 72 K 8.40 4.39 0.00 1.90 1.68 0.00 1.52 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.40 1.46 7.81 73 T 8.53 4.62 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 1.21 0.00 0.00 74 I 8.99 4.71 1.90 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 1.35 0.80 0.94 0.00 0.00 75 K 8.62 5.19 0.00 1.64 1.91 0.00 1.96 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.40 7.81 76 I 8.81 4.67 1.95 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.83 0.96 0.00 0.00 77 A 8.63 4.43 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 78 L 8.96 4.35 0.00 1.68 1.77 0.79 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 79 A 7.51 4.53 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 80 S 8.83 5.17 0.00 3.74 3.79 0.00 0.00 0.00 0.00 0.00 0.00 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 9.13 5.08 0.00 1.53 1.64 1.04 0.48 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 82 K 8.67 4.90 0.00 1.84 1.61 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.55 7.81 83 P 0.00 4.34 0.00 2.09 2.11 0.00 3.95 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.08 0.00 84 S 8.14 4.56 0.00 4.01 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 85 V 7.48 4.18 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 0.84 0.00 0.00 0.94 0.00 0.00 86 Q 8.28 4.59 0.00 2.05 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.60 0.00 0.00 0.00 0.00 0.00 2.37 2.29 0.00 87 P 0.00 4.54 0.00 2.16 2.29 0.00 3.70 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.00 0.00 88 T 7.78 5.18 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 89 V 8.88 4.47 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 1.05 0.00 0.00 0.95 0.00 0.00 90 S 8.69 5.08 0.00 3.92 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 91 L 8.85 4.13 0.00 1.86 1.89 1.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 92 G 8.45 3.74 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 0.00 0.00 0.00 93 G 8.26 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 0.00 0.00 0.00 0.00 94 F 8.54 4.49 0.00 3.09 2.81 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 95 E 8.88 4.88 0.00 1.96 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 2.33 2.55 0.00 96 I 9.01 4.73 1.68 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.66 0.83 0.00 0.00 97 T 8.53 4.56 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 1.25 0.00 0.00 98 P 0.00 4.58 0.00 2.09 2.21 0.00 3.75 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.43 0.00 99 P 0.00 5.01 0.00 2.07 2.02 0.00 3.77 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 100 V 8.71 4.73 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 0.64 0.00 0.00 0.92 0.00 0.00 101 I 8.66 4.80 1.88 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 0.75 0.93 0.00 0.00 102 L 9.07 5.10 0.00 1.75 1.64 1.03 0.40 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 0.00 103 R 9.08 4.97 0.00 1.81 1.70 0.00 3.31 0.00 0.00 3.10 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.69 0.00 104 L 9.15 4.58 0.00 1.63 1.60 1.07 0.85 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 0.00 105 K 8.85 4.32 0.00 1.83 1.93 0.00 2.08 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.45 1.39 7.81 106 S 8.06 4.57 0.00 3.85 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 0.00 107 G 8.87 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 0.00 108 S 9.08 4.18 0.00 4.02 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 0.00 109 G 7.87 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 0.00 110 P 0.00 4.66 0.00 1.96 2.08 0.00 3.68 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 2.24 2.05 0.00 111 V 8.54 4.80 1.98 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 1.00 0.00 0.00 0.88 0.00 0.00 112 Y 9.01 4.98 0.00 3.00 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 0.00 113 V 8.65 4.97 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 1.08 0.00 0.00 0.94 0.00 0.00 114 S 9.03 5.14 0.00 3.87 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 0.00 115 G 7.92 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 0.00 0.00 0.00 116 Q 8.15 5.27 0.00 2.01 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.71 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 117 H 9.66 5.12 0.00 3.37 3.45 0.00 5.57 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 L 9.05 5.16 0.00 1.76 1.62 0.94 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 119 V 9.19 4.87 2.31 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 0.93 0.00 0.00 1.13 0.00 0.00 120 A 8.70 4.41 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 * Residues marked with a * may have inaccurate shift predictions.