NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -8 S 4.2506 8.3344 116.7860 57.9234 63.9188 175.0019 -7 D 5.1312 9.1857 134.2135 53.2976 41.6900 173.0621 -6 P 4.0665 0.0000 0.0000 66.0237 32.2212 177.9242 -5 S 4.9121 8.1143 109.7000 58.8326 62.6541 174.5038 -4 S 4.7412 8.4750 115.9389 58.3701 64.4586 176.1567 -3 I 4.2557 7.8392 122.8743 63.4076 37.5604 177.7020 -2 N 5.0408 7.6123 116.0175 52.3981 39.6172 176.4792 -1 G 4.0314 7.8529 104.7880 44.8761 0.0000 172.1053 -7 G 4.4512 9.1757 122.6135 44.1976 0.0000 171.6621 -6 I 3.8165 9.4778 128.4501 63.8237 38.9212 177.0242 -5 V 4.5621 7.8343 113.2000 62.7326 31.7541 176.2038 -4 V 4.3912 8.1950 119.4389 62.2701 33.5586 177.8567 -3 A 4.4057 8.0792 126.7743 54.8076 17.8604 179.1020 -2 M 4.7808 7.4923 116.9175 54.6982 33.6172 177.5793 -1 T 4.4214 7.6729 109.5880 61.5761 67.8521 171.9053 8 G 4.1384 8.5453 113.5448 43.7501 0.0000 171.5208 9 K 4.0031 8.6461 121.9903 56.8437 31.6622 176.7935 10 D 4.4843 8.7303 127.3049 54.5932 38.6488 173.2697 11 C 4.7410 7.4826 110.1452 57.3911 32.3532 172.5499 12 V 5.0000 7.9113 112.1854 59.8070 35.2804 174.6828 13 A 4.7235 8.3948 123.2852 50.4094 22.4044 175.3917 14 I 5.2953 8.0343 119.0770 59.7755 41.0276 173.7790 15 A 4.9991 8.5104 129.7339 50.6525 22.5822 173.9995 16 C 5.3063 8.2840 112.4031 57.5267 32.6899 173.3144 17 D 4.8178 8.4532 119.8417 52.6167 41.5044 175.7511 18 L 5.0826 8.2694 114.9440 53.4380 43.7731 176.8219 19 R 4.5641 8.0678 119.9153 56.4957 31.2051 176.2267 20 L 4.2353 8.7454 127.3760 54.2954 44.5638 174.2966 21 G 4.5381 8.2774 113.1185 44.2875 0.0000 170.9036 22 S 4.6794 8.9749 113.6352 56.8317 63.7368 174.6060 23 Q 3.6792 8.2757 130.2061 56.8573 26.5930 177.0094 24 S 4.1627 8.7935 120.6752 61.6055 63.3942 174.0745 25 L 4.0071 7.7601 124.5201 54.4335 41.8022 176.0546 26 G 3.9795 8.5943 116.1726 45.4297 0.0000 172.3580 27 V 4.1912 8.4482 122.7452 63.6175 33.8177 175.7387 28 S 4.7273 8.4420 113.3777 56.6197 65.2880 173.4627 29 N 5.5312 8.7801 123.8436 52.7517 37.4853 174.4865 30 K 4.6004 8.0331 115.0852 57.3039 33.9402 177.3121 31 F 4.6203 8.4927 125.7559 56.8068 38.4864 174.1543 32 E 4.0186 8.1066 122.5181 55.5518 30.4011 176.4111 33 K 4.2721 8.3547 120.5220 55.9641 34.1704 174.9801 34 I 4.8008 7.0266 120.6755 59.5862 39.4544 174.7223 35 F 4.9915 9.2485 124.2523 56.3792 44.1250 173.1805 36 H 4.7136 7.4407 112.2457 54.6789 30.6558 172.5573 *38 Y 4.7377 7.7916 117.4274 58.7392 39.1379 175.7227 39 G 3.9086 8.1576 116.7703 47.3531 0.0000 172.9563 40 H 4.7819 8.9967 119.4614 54.7208 28.8710 173.7921 41 V 4.3599 7.5129 120.9825 61.6148 33.4660 174.4344 42 F 5.0130 9.3883 126.9426 55.8323 41.8131 174.6967 43 L 5.2852 9.4738 124.4321 53.6051 45.0723 175.3024 44 G 4.5312 9.5099 114.3545 44.9935 0.0000 172.5262 45 I 5.1599 8.9110 123.7254 59.9191 40.7705 175.2432 46 T 4.4174 8.4506 117.6870 60.2790 71.3754 172.3648 47 G 3.9640 8.7173 105.3965 44.1549 0.0000 173.2541 48 L 4.2088 9.1877 124.7613 54.6264 42.7972 177.9899 49 A 4.1306 10.4019 128.6667 55.9968 18.0967 178.9912 50 T 3.8470 8.0487 110.6555 65.7220 67.2235 175.6840 51 D 4.3841 8.1638 120.1850 56.9845 41.0630 178.5844 52 V 3.6864 8.0455 118.9859 66.3918 31.5677 178.1689 53 T 3.8282 8.4005 115.5610 67.0010 68.3965 176.4528 54 T 3.7573 8.0267 117.6856 66.9111 68.4847 176.4893 55 L 3.3458 8.1925 121.0334 57.4291 41.5569 179.0701 56 N 4.2891 7.6186 118.0770 56.2454 38.8661 176.8466 57 E 3.9923 7.9677 119.7435 59.2759 29.3285 179.2042 58 M 3.7689 7.6276 118.4438 58.6230 32.2752 178.3890 59 F 4.3613 7.9241 117.9696 59.9058 38.8449 177.8935 60 R 3.8925 7.9537 120.2502 58.9751 30.0850 177.3633 61 Y 4.0738 7.7733 118.8596 61.0589 38.6795 178.5709 62 K 4.2428 8.6178 119.4788 59.8178 31.7198 179.5977 63 T 3.9205 8.3589 110.4726 64.6479 68.5620 176.4508 64 N 4.3726 8.5575 119.7287 56.3282 38.6628 177.3800 65 L 4.0013 7.8466 120.1222 57.8573 41.6370 178.9346 66 Y 4.0343 8.2392 119.6893 60.5478 38.6514 178.1972 67 K 4.5189 8.2438 121.9586 59.0340 32.1361 178.7821 68 L 3.9860 7.7175 118.2632 57.6186 41.5779 179.2347 69 K 4.1371 7.7936 117.1323 59.0226 32.4511 178.8158 70 E 3.8985 8.2497 117.6510 56.3387 30.0665 176.3853 71 E 3.8207 8.2307 117.7825 56.5572 27.4097 174.0717 72 R 4.3657 7.1036 111.2702 55.6421 31.7426 173.6090 73 A 4.4892 8.5764 122.3480 51.4025 19.4628 177.6107 74 I 3.7828 8.0987 121.1849 61.0145 38.6526 176.0251 75 E 4.5505 8.3160 125.0425 54.2926 32.3400 175.6204 76 P 4.3674 0.0000 0.0000 66.1029 31.4661 178.5769 77 E 3.9632 8.2370 116.4007 59.9108 29.4369 179.4541 78 T 3.8298 7.8868 114.8031 66.7894 68.6514 176.0421 79 F 4.0232 8.4074 122.6645 61.7529 39.1748 177.1828 80 T 3.6203 8.1337 115.2857 66.7093 68.1578 176.5178 81 Q 3.8906 7.7081 119.3147 58.8632 28.7573 178.6290 82 L 3.8678 7.7605 121.3642 57.9607 42.0675 179.2579 83 V 3.2279 7.5859 118.5353 65.7045 31.3909 177.8733 84 S 4.0573 8.0923 113.3649 61.5609 62.3849 176.3728 85 S 4.1932 8.3339 117.1994 61.5156 62.4651 176.4935 86 S 4.1863 7.9792 117.9893 61.3489 62.7907 176.4524 87 L 4.2431 8.0977 121.6151 58.0759 41.5075 178.9377 88 Y 3.7886 8.2000 118.9797 60.0218 38.4241 177.3367 89 E 4.1422 8.0359 118.7266 57.9631 29.9524 176.9873 90 R 4.4405 7.7017 118.5482 55.8510 30.9884 178.1924 91 R 3.1936 7.0451 120.4799 59.1210 29.7633 177.5003 92 F 4.8787 7.2313 113.5996 56.8102 39.9198 176.0045 93 G 4.3478 7.2919 105.2433 44.9458 0.0000 172.0554 94 P 4.0850 0.0000 0.0000 62.3358 32.5975 176.1532 95 Y 4.0296 7.7183 116.6146 57.8772 38.8072 176.6124 96 F 4.7736 8.9372 123.9195 56.3384 37.7545 175.0146 97 V 4.9818 7.9287 113.9774 59.3900 36.1285 175.7078 98 G 4.2274 8.9541 109.1127 43.5012 0.0000 170.0201 99 P 4.8734 0.0000 0.0000 63.2418 32.9288 176.1904 100 V 4.4868 9.1540 122.8281 61.2724 34.9214 174.0066 101 V 5.1440 8.6331 126.9611 61.2633 33.8373 174.4362 102 A 4.7503 9.1118 128.0070 49.9788 22.9219 175.5282 103 G 4.2192 7.7582 107.4391 46.7100 0.0000 171.8485 104 I 4.6330 8.1470 120.0104 58.8971 39.7650 175.6106 105 N 4.9915 8.8769 121.9554 53.4611 38.7104 174.2407 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 S 8.33 4.25 0.00 3.84 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 -7 D 9.19 5.13 0.00 2.75 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 -6 P 0.00 4.07 0.00 1.17 1.41 0.00 3.29 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 0.93 1.66 0.00 -5 S 8.11 4.91 0.00 4.03 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 -4 S 8.47 4.74 0.00 3.88 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 -3 I 7.84 4.26 1.84 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.30 0.88 0.00 0.00 -2 N 7.61 5.04 0.00 2.74 2.72 0.00 0.00 7.59 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 -1 G 7.85 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 -7 G 9.18 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -6 I 9.48 3.82 1.87 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 1.41 0.88 0.91 0.00 0.00 -5 V 7.83 4.56 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 1.03 0.00 0.00 0.93 0.00 0.00 -4 V 8.19 4.39 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 0.93 0.00 0.00 -3 A 8.08 4.41 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 -2 M 7.49 4.78 0.00 2.02 1.98 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.48 0.00 -1 T 7.67 4.42 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 8 G 8.55 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 9 K 8.65 4.00 0.00 1.70 1.75 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.51 7.81 10 D 8.73 4.48 0.00 2.81 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 11 C 7.48 4.74 0.00 3.01 2.95 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 12 V 7.91 5.00 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 0.76 0.00 0.00 0.88 0.00 0.00 13 A 8.39 4.72 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 14 I 8.03 5.30 1.81 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.96 0.77 0.00 0.00 15 A 8.51 5.00 1.16 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 16 C 8.28 5.31 0.00 3.04 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 17 D 8.45 4.82 0.00 2.73 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 18 L 8.27 5.08 0.00 1.61 1.79 0.98 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.07 4.56 0.00 1.85 2.01 0.00 3.24 0.00 0.00 3.16 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 20 L 8.75 4.24 0.00 1.48 1.53 0.76 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.28 4.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 S 8.97 4.68 0.00 3.73 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 23 Q 8.28 3.68 0.00 2.24 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.89 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 24 S 8.79 4.16 0.00 3.97 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 25 L 7.76 4.01 0.00 1.68 1.77 0.92 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.59 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 27 V 8.45 4.19 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 0.82 0.00 0.00 0.97 0.00 0.00 28 S 8.44 4.73 0.00 3.84 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 29 N 8.78 5.53 0.00 2.85 2.86 0.00 0.00 5.89 7.13 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 30 K 8.03 4.60 0.00 1.69 1.81 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.38 1.39 7.81 31 F 8.49 4.62 0.00 3.18 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 32 E 8.11 4.02 0.00 1.57 1.62 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 2.21 2.22 0.00 33 K 8.35 4.27 0.00 1.63 1.98 0.00 1.76 0.00 0.00 1.96 0.00 0.00 2.99 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.53 1.59 7.81 34 I 7.03 4.80 1.73 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 1.23 0.77 1.02 0.00 0.00 35 F 9.25 4.99 0.00 2.73 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 36 H 7.44 4.71 0.00 2.01 1.68 0.00 5.85 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *38 Y 7.79 4.74 0.00 2.71 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 39 G 8.16 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 40 H 9.00 4.78 0.00 3.33 3.39 0.00 5.49 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.51 4.36 1.82 0.00 0.00 0.00 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 0.74 0.00 0.00 42 F 9.39 5.01 0.00 3.17 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 43 L 9.47 5.29 0.00 2.10 1.83 1.16 1.39 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 44 G 9.51 4.53 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 0.00 0.00 0.00 45 I 8.91 5.16 2.14 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.03 1.05 0.00 0.00 46 T 8.45 4.42 4.32 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 1.28 0.00 0.00 47 G 8.72 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 48 L 9.19 4.21 0.00 1.86 1.77 0.98 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 49 A 10.40 4.13 1.10 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 0.00 0.00 50 T 8.05 3.85 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 1.30 0.00 0.00 51 D 8.16 4.38 0.00 3.07 2.79 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 52 V 8.05 3.69 2.60 0.00 0.00 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 1.25 0.00 0.00 53 T 8.40 3.83 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 1.25 0.00 0.00 54 T 8.03 3.76 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 1.03 0.00 0.00 55 L 8.19 3.35 0.00 1.53 1.50 0.84 -0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 56 N 7.62 4.29 0.00 1.47 2.42 0.00 0.00 6.82 7.58 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 57 E 7.97 3.99 0.00 2.12 1.95 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 2.31 2.38 0.00 58 M 7.63 3.77 0.00 1.50 1.62 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.06 0.00 59 F 7.92 4.36 0.00 2.90 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 60 R 7.95 3.89 0.00 2.18 2.14 0.00 3.21 0.00 0.00 3.27 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.63 0.00 61 Y 7.77 4.07 0.00 3.15 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 62 K 8.62 4.24 0.00 1.98 1.99 0.00 1.81 0.00 0.00 1.78 0.00 0.00 2.95 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.58 1.70 7.81 63 T 8.36 3.92 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 0.86 0.00 0.00 64 N 8.56 4.37 0.00 2.91 2.87 0.00 0.00 6.95 6.48 0.00 0.00 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 L 7.85 4.00 0.00 1.80 1.75 0.90 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 8.24 4.03 0.00 3.17 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 67 K 8.24 4.52 0.00 2.14 1.96 0.00 1.79 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.48 7.81 68 L 7.72 3.99 0.00 1.83 1.70 0.88 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 69 K 7.79 4.14 0.00 1.61 1.77 0.00 1.68 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.56 7.81 70 E 8.25 3.90 0.00 1.55 1.71 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 1.58 1.47 0.00 71 E 8.23 3.82 0.00 2.06 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 0.00 2.22 2.19 0.00 72 R 7.10 4.37 0.00 1.98 2.00 0.00 3.03 0.00 0.00 3.37 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 73 A 8.58 4.49 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 74 I 8.10 3.78 0.86 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.32 0.62 0.00 0.00 75 E 8.32 4.55 0.00 2.05 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 2.43 2.39 0.00 76 P 0.00 4.37 0.00 2.19 2.16 0.00 3.66 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.20 0.00 77 E 8.24 3.96 0.00 2.07 2.02 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 2.42 2.50 0.00 78 T 7.89 3.83 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 79 F 8.41 4.02 0.00 2.99 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 80 T 8.13 3.62 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 1.15 0.00 0.00 81 Q 7.71 3.89 0.00 2.24 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.80 0.00 0.00 0.00 0.00 0.00 2.52 2.49 0.00 82 L 7.76 3.87 0.00 1.67 1.52 0.97 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 83 V 7.59 3.23 1.70 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 0.75 0.00 0.00 -0.77 0.00 0.00 84 S 8.09 4.06 0.00 3.92 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 85 S 8.33 4.19 0.00 4.09 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 86 S 7.98 4.19 0.00 4.29 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 87 L 8.10 4.24 0.00 1.91 1.76 0.97 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 88 Y 8.20 3.79 0.00 3.16 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 89 E 8.04 4.14 0.00 2.19 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 2.29 2.34 0.00 90 R 7.70 4.44 0.00 1.68 1.67 0.00 2.99 0.00 0.00 2.82 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.24 0.00 91 R 7.05 3.19 0.00 0.70 1.08 0.00 2.59 0.00 0.00 2.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 92 F 7.23 4.88 0.00 3.01 2.93 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 93 G 7.29 4.35 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 0.00 94 P 0.00 4.09 0.00 1.92 1.84 0.00 3.60 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.84 0.00 95 Y 7.72 4.03 0.00 2.88 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 96 F 8.94 4.77 0.00 3.07 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 97 V 7.93 4.98 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 0.79 0.00 0.00 1.01 0.00 0.00 98 G 8.95 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 0.00 0.00 0.00 0.00 99 P 0.00 4.87 0.00 1.98 2.07 0.00 3.68 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.19 0.00 100 V 9.15 4.49 2.15 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 0.91 0.00 0.00 0.98 0.00 0.00 101 V 8.63 5.14 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 1.01 0.00 0.00 1.06 0.00 0.00 102 A 9.11 4.75 1.21 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 0.00 103 G 7.76 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 0.00 0.00 0.00 0.00 104 I 8.15 4.63 1.91 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 1.31 0.74 0.93 0.00 0.00 105 N 8.88 4.99 0.00 2.71 2.73 0.00 0.00 7.19 7.56 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 * Residues marked with a * may have inaccurate shift predictions.