NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 R 4.2834 8.2431 119.7018 56.1116 31.8622 175.5675 9 G 3.7683 8.2842 105.9551 44.8758 0.0000 169.7762 10 E 3.7906 7.1279 120.5600 58.7224 30.9758 176.9972 11 Y 4.0904 6.9523 121.8172 60.2484 38.7454 178.1323 12 S 3.6928 8.6305 115.5070 57.0148 63.7327 172.5403 13 V 3.9457 8.0221 111.5640 63.7383 31.6234 176.9537 14 C 5.2761 7.7651 115.6667 55.2492 41.4657 173.3527 15 D 5.0941 8.7126 122.5400 53.4713 42.6991 175.5129 16 S 5.1623 8.3746 115.5142 56.9047 67.0702 172.4082 17 E 4.7762 9.4010 116.8747 54.7098 32.7790 174.6975 18 S 5.1529 8.5742 117.5992 56.7693 65.8974 173.1361 19 L 4.5034 8.1668 122.6357 54.3698 44.3690 174.6633 20 W 5.0148 8.7605 120.1835 55.6356 29.9675 176.1725 21 V 4.2925 9.4464 127.7270 62.3292 31.6894 176.4873 22 T 4.6056 8.9633 117.3077 61.6146 70.0981 174.4939 23 D 4.5995 8.0872 120.1507 53.4002 40.4676 175.7709 24 K 4.0388 7.7959 120.8915 55.9572 31.8348 175.1020 25 S 5.0994 8.7796 120.4516 58.3118 65.2911 173.4373 26 S 5.1210 7.5927 113.1634 57.6475 66.0354 172.6262 27 A 4.3631 9.0568 120.6351 51.6527 23.2722 175.1767 28 I 4.7637 7.7702 119.9660 60.2822 39.2290 176.0300 29 D 5.2184 9.3886 127.3007 54.0375 41.7824 177.3754 30 I 4.1746 8.1860 118.8584 63.8459 38.0370 177.1304 31 R 4.0930 7.9698 117.6647 57.1291 30.2508 177.2607 32 G 4.0911 7.9484 105.6897 45.0344 0.0000 173.6038 33 H 4.4675 8.0915 116.8907 55.7202 30.3979 174.1830 34 Q 4.7709 8.5763 122.7605 55.2080 29.7509 174.9203 35 V 4.6113 9.1760 120.0775 59.7800 36.1115 174.7695 36 T 4.7972 8.6397 118.5678 62.6631 70.3043 174.2259 37 V 4.5857 8.2444 125.9377 61.1003 32.8358 175.7437 38 L 4.2016 8.5648 128.2826 54.8280 41.8695 177.7018 39 G 3.8356 8.7961 108.3718 48.4152 0.0000 172.6492 40 E 5.4983 7.9735 117.6280 54.7785 33.9865 174.4617 41 I 4.5978 8.5846 122.1137 61.6098 42.2611 177.0811 42 K 4.1942 9.8240 125.9809 55.8470 29.9665 176.2239 43 T 4.0563 8.4089 105.5398 62.4334 71.9781 168.8671 44 G 3.9775 9.0103 109.1054 46.9348 0.0000 172.4572 45 N 4.6267 7.4191 115.3141 50.9546 40.1858 176.1515 46 S 4.2750 8.0819 114.4576 59.5876 63.0248 172.6393 47 P 4.7572 0.0000 0.0000 62.5153 31.7520 175.6028 48 V 4.5204 8.0716 121.3970 59.5365 34.0969 175.1184 49 K 4.5617 8.7287 124.5301 56.5153 33.2469 175.8741 50 Q 4.5531 8.8964 128.6385 54.8701 29.7271 173.6985 51 Y 5.0822 8.0689 123.7687 55.2936 41.9059 174.1917 52 F 4.9843 9.5917 116.6079 56.0110 43.7743 173.8408 53 Y 4.2206 8.7543 123.0700 56.1799 39.4204 174.4212 54 E 4.8405 8.2676 126.0897 54.7611 33.8452 175.2166 55 T 4.9695 8.0974 116.2830 60.7030 70.7200 172.9248 56 R 4.7651 8.6893 124.1145 54.3492 33.6048 173.6644 57 C 4.8505 8.5952 115.8047 56.9717 40.7154 174.9331 58 K 4.0849 8.6199 121.4447 58.8403 32.3801 177.4517 59 E 4.6215 7.9289 117.0659 54.5332 32.4516 175.4524 60 A 4.3059 8.8506 127.8475 54.3394 18.5040 177.3611 61 R 4.7854 7.6650 111.4679 54.2746 30.0722 173.0230 62 P 4.3711 0.0000 0.0000 64.9695 31.6633 177.3250 63 V 4.4845 7.3761 111.8223 58.7200 34.5976 176.2296 64 K 3.7152 8.9218 124.4052 59.8603 31.8432 177.3671 65 N 4.5550 8.1048 116.3046 54.5317 40.9044 174.7090 66 G 3.9150 7.7682 110.7724 46.2519 0.0000 176.0739 67 C 4.5608 7.3066 120.5869 55.4348 41.6609 172.6570 68 R 4.2884 8.5272 122.1454 56.9836 30.2665 176.2362 69 G 3.7751 8.8032 111.8183 46.4992 0.0000 173.3332 70 I 4.2183 7.5692 121.3466 60.1405 38.7453 176.1987 71 D 4.6736 8.5853 118.6212 52.9225 39.7908 178.1928 72 D 4.7949 8.0974 120.2607 57.4242 40.5562 176.7262 73 K 4.0351 8.5388 125.7911 59.0918 32.5630 181.2958 *74 H 4.2563 7.7658 114.0382 55.7198 28.0524 176.1963 75 W 5.5322 7.5812 114.9949 55.9504 33.9218 174.2420 76 N 5.0810 8.9652 118.5282 52.4927 41.4030 173.0529 77 S 5.7156 8.3079 119.5734 55.8794 67.0187 172.6266 78 Q 4.5389 8.0796 116.1633 55.6793 32.0779 172.9221 79 C 5.1162 8.8759 124.0005 55.9524 37.8234 172.6565 80 K 4.9575 9.5111 125.4296 54.6243 35.6822 174.8496 81 T 4.7049 8.5020 116.2972 61.3059 70.1001 174.0185 82 S 4.8296 8.8882 121.4459 57.0798 65.6612 173.3512 83 Q 4.9901 8.3866 120.9328 54.9050 31.9856 173.8594 84 T 4.4505 8.2738 114.1616 61.4865 71.6816 171.3252 85 Y 5.2523 8.3892 120.1752 56.6761 39.6760 175.8793 86 V 5.0073 8.7961 121.5680 61.4826 35.7623 174.1399 87 R 4.4098 8.6104 125.0836 55.6878 30.9599 175.7312 88 A 5.0366 9.1179 124.4989 49.9336 23.4363 175.0145 89 L 3.2794 8.0048 122.8410 54.7024 42.9804 175.7393 90 T 5.2632 8.9868 116.8884 59.9438 72.4411 172.6540 91 S 5.1404 8.7874 114.4740 56.5027 66.9460 172.7116 92 E 4.6683 8.5067 119.9598 55.7322 31.9384 177.5043 93 N 3.7108 9.7803 121.5100 53.7385 39.2288 174.2445 94 N 4.6554 8.8257 114.6280 53.6690 39.8023 174.9705 95 K 3.8765 7.9834 117.1141 58.3780 31.9446 176.4851 96 L 4.4277 8.5809 116.8788 54.0263 44.0900 174.8913 97 V 4.5839 7.8404 118.6888 60.2775 33.7723 175.1632 98 G 3.8864 8.4477 109.8395 45.9024 0.0000 171.6903 99 W 5.1353 8.7399 119.8502 55.7015 30.1195 176.7453 100 R 4.7353 8.7008 122.3651 54.2066 34.3918 174.2376 101 W 4.9766 8.8254 122.0893 56.4339 30.3856 175.3717 102 I 4.9034 9.0286 118.6626 58.9941 40.2781 175.2258 103 R 4.3544 8.7337 123.4325 56.5013 31.0405 176.2847 104 I 4.4310 8.1205 121.5742 59.7868 42.3219 174.0133 105 D 4.8508 8.7709 126.1785 55.5979 41.3376 176.7738 106 T 4.7180 8.9731 115.0747 61.3744 69.7968 172.6578 107 S 4.5520 7.3430 113.8174 58.7550 66.2440 174.9686 108 C 5.2145 8.7953 119.1821 55.1641 43.8723 173.2843 109 V 4.5661 9.0600 120.0166 59.6597 34.7357 174.2723 110 C 4.9831 8.6631 123.3800 55.4741 45.1431 172.4642 111 A 4.6711 9.3720 129.8103 50.8452 20.0782 175.8165 112 L 5.1704 8.5033 122.3469 53.5551 44.1000 175.7040 113 S 4.5604 9.5138 116.5072 58.3697 65.6025 172.2521 114 R 4.1454 9.1993 119.1609 54.3943 31.8952 176.2327 *115 K 4.2050 8.8639 126.5967 55.2597 31.6422 178.5016 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 8 R 8.24 4.28 0.00 1.78 1.97 0.00 3.33 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 9 G 8.28 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 10 E 7.13 3.79 0.00 1.25 1.51 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 1.52 1.62 0.00 11 Y 6.95 4.09 0.00 2.99 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 12 S 8.63 3.69 0.00 4.16 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 13 V 8.02 3.95 2.05 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 0.72 0.00 0.00 0.91 0.00 0.00 14 C 7.77 5.28 0.00 2.77 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 15 D 8.71 5.09 0.00 2.60 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.37 5.16 0.00 3.91 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 17 E 9.40 4.78 0.00 1.91 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 0.00 2.14 2.21 0.00 18 S 8.57 5.15 0.00 3.64 3.21 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 19 L 8.17 4.50 0.00 1.66 1.64 0.91 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 20 W 8.76 5.01 0.00 3.32 3.52 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.45 4.29 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 1.16 0.00 0.00 0.98 0.00 0.00 22 T 8.96 4.61 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 1.18 0.00 0.00 23 D 8.09 4.60 0.00 2.84 2.86 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 24 K 7.80 4.04 0.00 1.96 2.08 0.00 1.39 0.00 0.00 1.13 0.00 0.00 2.58 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.46 7.81 25 S 8.78 5.10 0.00 3.92 4.07 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 26 S 7.59 5.12 0.00 3.91 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 27 A 9.06 4.36 1.14 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 28 I 7.77 4.76 1.88 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 1.43 0.73 0.96 0.00 0.00 29 D 9.39 5.22 0.00 2.98 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 30 I 8.19 4.17 1.65 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.40 0.98 0.00 0.00 31 R 7.97 4.09 0.00 1.82 1.97 0.00 3.10 0.00 0.00 3.18 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 32 G 7.95 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 33 H 8.09 4.47 0.00 3.30 3.25 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 34 Q 8.58 4.77 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.79 0.00 0.00 0.00 0.00 0.00 2.28 2.44 0.00 35 V 9.18 4.61 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 0.83 0.00 0.00 0.99 0.00 0.00 36 T 8.64 4.80 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 1.24 0.00 0.00 37 V 8.24 4.59 2.34 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 1.06 0.00 0.00 0.98 0.00 0.00 38 L 8.56 4.20 0.00 1.59 1.63 0.90 0.69 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 39 G 8.80 3.84 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 0.00 0.00 0.00 40 E 7.97 5.50 0.00 1.79 1.84 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 2.20 2.30 0.00 41 I 8.58 4.60 1.93 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.40 1.08 0.00 0.00 42 K 9.82 4.19 0.00 1.92 1.91 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.76 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.22 0.97 7.81 43 T 8.41 4.06 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 44 G 9.01 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 45 N 7.42 4.63 0.00 2.87 2.72 0.00 0.00 6.93 7.64 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 46 S 8.08 4.27 0.00 3.82 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 47 P 0.00 4.76 0.00 1.90 1.81 0.00 3.75 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 1.94 1.59 0.00 48 V 8.07 4.52 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 0.77 0.00 0.00 0.99 0.00 0.00 49 K 8.73 4.56 0.00 1.80 1.81 0.00 1.47 0.00 0.00 1.56 0.00 0.00 2.66 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.44 7.81 50 Q 8.90 4.55 0.00 2.04 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.44 0.00 0.00 0.00 0.00 0.00 2.04 1.98 0.00 51 Y 8.07 5.08 0.00 3.34 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 52 F 9.59 4.98 0.00 2.98 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 53 Y 8.75 4.22 0.00 2.32 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 54 E 8.27 4.84 0.00 1.75 1.74 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 2.15 2.20 0.00 55 T 8.10 4.97 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 1.15 0.00 0.00 56 R 8.69 4.77 0.00 1.83 1.93 0.00 2.77 0.00 0.00 3.09 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.53 0.00 57 C 8.60 4.85 0.00 2.86 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 58 K 8.62 4.08 0.00 1.76 1.85 0.00 1.75 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.51 7.81 59 E 7.93 4.62 0.00 1.95 1.72 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 2.28 2.29 0.00 60 A 8.85 4.31 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 61 R 7.66 4.79 0.00 2.23 1.92 0.00 3.25 0.00 0.00 3.27 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.71 0.00 62 P 0.00 4.37 0.00 2.20 2.24 0.00 3.90 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 63 V 7.38 4.48 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 0.79 0.00 0.00 1.08 0.00 0.00 64 K 8.92 3.72 0.00 1.69 1.88 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.53 7.81 65 N 8.10 4.56 0.00 2.74 2.80 0.00 0.00 6.76 7.98 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 66 G 7.77 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 67 C 7.31 4.56 0.00 2.94 3.21 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 68 R 8.53 4.29 0.00 1.73 1.91 0.00 3.28 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.55 0.00 69 G 8.80 3.78 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 0.00 0.00 0.00 70 I 7.57 4.22 1.88 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 1.17 0.67 0.93 0.00 0.00 71 D 8.59 4.67 0.00 2.60 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 72 D 8.10 4.79 0.00 2.95 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 73 K 8.54 4.04 0.00 1.77 1.72 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.01 7.81 *74 H 7.77 4.26 0.00 2.94 3.01 0.00 7.12 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 W 7.58 5.53 0.00 3.22 3.15 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 0.00 0.00 0.00 76 N 8.97 5.08 0.00 2.80 2.69 0.00 0.00 6.37 7.63 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 77 S 8.31 5.72 0.00 3.85 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 78 Q 8.08 4.54 0.00 2.11 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 7.03 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 79 C 8.88 5.12 0.00 3.00 2.97 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 80 K 9.51 4.96 0.00 1.76 1.57 0.00 1.50 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.31 1.38 7.81 81 T 8.50 4.70 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 82 S 8.89 4.83 0.00 3.75 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 83 Q 8.39 4.99 0.00 1.76 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.74 0.00 0.00 0.00 0.00 0.00 2.18 2.24 0.00 84 T 8.27 4.45 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 1.22 0.00 0.00 85 Y 8.39 5.25 0.00 2.86 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 86 V 8.80 5.01 2.25 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 1.34 0.00 0.00 1.10 0.00 0.00 87 R 8.61 4.41 0.00 1.30 1.63 0.00 2.98 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 88 A 9.12 5.04 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 89 L 8.00 3.28 0.00 0.60 1.28 -0.02 0.45 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 90 T 8.99 5.26 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 1.21 0.00 0.00 91 S 8.79 5.14 0.00 3.83 3.88 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 92 E 8.51 4.67 0.00 1.91 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 2.31 2.28 0.00 93 N 9.78 3.71 0.00 2.85 2.95 0.00 0.00 7.36 7.79 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 94 N 8.83 4.66 0.00 2.70 3.25 0.00 0.00 7.09 6.56 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 95 K 7.98 3.88 0.00 1.73 1.69 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.42 1.49 7.81 96 L 8.58 4.43 0.00 1.70 1.49 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 97 V 7.84 4.58 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 0.68 0.00 0.00 0.86 0.00 0.00 98 G 8.45 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 99 W 8.74 5.14 0.00 3.10 2.97 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 0.00 100 R 8.70 4.74 0.00 1.73 1.80 0.00 3.13 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 101 W 8.83 4.98 0.00 3.33 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 0.00 102 I 9.03 4.90 1.85 0.00 0.00 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 1.47 0.81 0.96 0.00 0.00 103 R 8.73 4.35 0.00 1.63 1.91 0.00 3.15 0.00 0.00 3.24 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.60 0.00 104 I 8.12 4.43 1.79 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.29 0.82 0.00 0.00 105 D 8.77 4.85 0.00 2.59 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 8.97 4.72 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 1.25 0.00 0.00 107 S 7.34 4.55 0.00 3.85 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 0.00 108 C 8.80 5.21 0.00 2.92 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 0.00 109 V 9.06 4.57 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 0.71 0.00 0.00 0.95 0.00 0.00 110 C 8.66 4.98 0.00 2.94 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 0.00 111 A 9.37 4.67 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 0.00 112 L 8.50 5.17 0.00 1.57 1.81 0.12 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 0.00 113 S 9.51 4.56 0.00 3.85 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 0.00 114 R 9.20 4.15 0.00 1.64 1.41 0.00 3.34 0.00 0.00 3.32 7.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.16 0.00 *115 K 8.86 4.20 0.00 1.83 1.99 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.79 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.19 0.89 7.81 * Residues marked with a * may have inaccurate shift predictions.