NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.5556 8.4131 118.1248 54.0548 39.9586 172.1640 3 G 3.5886 8.5875 108.5760 43.4752 0.0000 170.1347 4 A 4.8701 10.0645 120.8686 50.4144 23.5199 176.0636 5 R 4.3283 8.8760 117.5764 57.3715 31.7868 176.7409 6 K 5.0812 7.9846 118.2649 54.2391 35.8851 175.4562 7 W 5.2754 8.9065 123.7334 54.8942 33.1580 174.8455 8 F 5.1172 9.2204 121.0618 55.9016 42.9504 174.1615 9 F 4.6067 9.5888 121.3916 55.2819 41.3843 173.9186 10 P 4.3527 0.0000 0.0000 64.3379 31.4267 176.5484 11 D 4.6279 8.0304 118.4500 52.5825 40.4604 174.9049 12 G 3.4172 8.2911 111.6929 43.8039 0.0000 169.1705 13 Y 4.7430 8.7945 120.5659 56.8080 43.5226 172.6304 14 I 4.5117 7.7979 128.0100 59.0083 38.6449 173.9031 15 P 4.6264 0.0000 0.0000 62.5118 31.8545 176.3388 16 N 4.7860 8.4992 115.5259 52.5876 38.2448 175.3481 17 G 4.2608 7.6601 106.8317 46.0826 0.0000 172.8545 18 K 5.1402 8.3035 119.2725 55.0006 37.0230 176.8027 19 R 4.2554 9.4456 123.1600 54.9235 32.1430 176.1488 20 G 3.7085 8.7417 119.0902 46.9025 0.0000 174.9449 21 Y 4.2004 8.7548 122.8466 59.5700 38.2095 175.5495 22 L 4.3115 8.1864 121.7257 54.1506 42.3499 176.0618 23 V 4.6554 8.0631 122.2893 60.5626 34.3405 175.1261 24 S 4.4761 8.5880 123.5372 59.5956 63.5651 173.1279 25 H 4.6404 8.3598 117.5720 55.4480 32.4264 172.0898 26 E 5.1526 8.5237 116.4703 54.6847 33.7108 175.2601 27 S 5.0911 9.1421 119.6916 56.7082 66.0563 172.9970 28 L 4.2254 8.9137 128.5731 54.0430 42.7280 174.7532 29 C 4.8493 8.6758 125.5306 58.7376 29.5587 173.4313 30 I 4.9257 8.4059 123.9230 58.2040 41.5602 173.4997 *32 N 4.6990 8.6376 120.7682 54.2930 39.0615 174.1992 33 T 4.3384 8.5787 115.5677 61.3473 69.4973 175.1815 34 G 3.9633 8.1236 112.3146 45.1415 0.0000 173.0255 35 D 4.6956 8.4911 116.6991 53.0979 40.4087 175.6016 36 E 4.7675 7.7250 120.5795 54.2064 32.2035 175.5207 37 T 4.1749 8.6381 122.1500 64.1175 69.5152 173.1627 38 A 4.5710 9.0714 128.0858 50.6498 21.0376 176.0375 39 K 4.7171 8.6378 122.1400 54.9291 34.3209 175.3259 40 I 4.7722 8.8336 126.9403 59.3881 40.2924 174.6579 41 R 4.7805 9.0343 128.1742 55.0433 31.8154 174.7952 42 I 4.5625 9.1240 128.2329 59.9866 39.4241 174.6460 43 T 4.9169 8.1996 124.1980 61.9503 70.8111 173.5699 44 F 4.8738 9.4064 125.7326 55.7927 41.2045 174.7797 45 L 4.9851 8.8064 123.9638 53.0912 44.3922 175.5711 46 F 5.3567 8.5741 119.5696 55.6614 42.3620 175.2467 47 E 4.3107 9.1955 118.6552 59.3956 29.4385 178.0125 48 D 4.9613 7.9861 116.2309 53.9570 42.5305 174.8974 49 S 4.7730 8.0597 112.9939 56.5189 66.9944 174.1000 50 K 4.4057 8.3759 121.1066 55.4622 32.6427 175.4755 51 P 5.0148 0.0000 0.0000 62.9747 32.4300 176.0618 52 V 4.5949 8.9134 121.3444 61.2081 34.7613 174.3013 53 V 5.0860 8.6327 126.8715 61.5603 33.8560 174.0591 54 H 5.1654 9.6087 124.0684 54.0811 32.7898 172.4579 55 E 5.2860 8.6769 117.8876 55.0657 33.1631 175.5582 56 V 4.6882 8.8534 115.2074 60.0417 36.8098 173.8737 57 E 5.2758 8.6472 120.0037 54.8015 33.6017 175.3397 58 I 4.5722 8.4632 121.9454 59.3118 41.2203 175.0728 59 S 4.5220 8.8009 125.1831 57.1364 63.6758 173.2545 60 P 4.4293 0.0000 0.0000 63.0079 28.7342 175.7636 *62 K 4.1627 7.4300 118.0578 56.3528 33.8975 176.2176 63 S 4.9587 8.4615 115.5439 56.8007 65.4097 173.3967 64 L 4.4068 8.7622 126.2899 54.4903 45.0831 174.5712 65 H 4.8084 8.8996 125.1153 54.1969 28.8601 173.4640 66 L 4.1679 8.7531 126.2426 54.3947 43.2793 175.8822 67 R 4.6233 8.6074 126.3407 55.6574 30.2392 177.5600 68 L 4.0777 8.8334 125.7550 56.7866 41.8476 178.1168 69 D 4.5814 8.0257 116.3635 53.9428 39.7101 176.6417 70 K 4.5171 7.6459 119.0118 56.5246 32.4082 176.4502 71 L 4.4304 7.9113 116.1593 54.2960 42.1499 177.4526 72 G 3.8684 8.1968 106.3102 45.3417 0.0000 173.9398 73 I 3.7152 7.1324 120.5246 59.8930 37.6278 174.2466 74 P 4.2360 0.0000 0.0000 62.5831 31.7169 176.5994 75 K 4.0843 8.3603 121.6536 57.0672 32.7519 175.8811 76 C 3.2798 8.3626 115.3563 59.4407 26.1912 173.8299 77 K 4.6542 7.7015 119.1856 53.5574 34.0174 173.5178 78 P 5.0284 0.0000 0.0000 63.8280 32.0588 174.8434 79 Y 4.9987 8.5509 119.2567 56.6370 41.5624 173.0768 80 S 5.1582 9.3045 114.2880 57.2127 67.9359 173.6187 81 I 5.1495 9.0720 121.8229 58.3867 41.4454 173.9229 *83 A 4.4783 8.2950 122.5365 52.3110 20.1646 175.6655 84 E 5.0169 9.2104 121.7038 54.5727 32.6213 175.1440 85 S 5.3968 9.3213 119.8963 56.4396 64.5716 173.7757 86 N 4.6946 8.5857 122.0886 54.6119 37.7771 175.4000 87 V 4.5831 7.5545 111.3387 58.4467 35.6759 173.3625 88 P 4.6056 0.0000 0.0000 63.4329 31.9468 176.0347 89 V 4.5616 8.9926 115.9254 60.3870 37.0628 173.1339 90 V 3.9103 7.7031 119.9194 60.9998 35.7792 173.4766 *92 Q 4.5243 8.3578 121.9599 55.8022 30.6486 173.1281 93 L 4.9014 8.5524 126.9905 53.2661 44.7821 175.2039 94 S 5.0259 8.7754 121.3410 56.6474 67.3446 172.8704 95 R 4.9688 8.5039 122.4059 54.3782 33.5387 173.5851 96 L 4.8266 8.7879 128.2636 53.3356 44.5520 174.3544 97 D 5.2121 8.9972 127.5558 52.5753 43.1864 175.1153 98 V 4.6525 8.7590 125.9420 60.3628 35.2086 175.2298 99 G 4.3143 8.3719 107.7733 45.7382 0.0000 173.2616 100 K 4.1034 8.9946 120.1467 59.0735 32.1109 177.7359 101 N 5.1031 8.0543 113.0974 52.6148 39.4201 173.3028 102 H 4.8611 7.7738 111.6324 55.0517 31.5183 172.1444 103 Y 4.7638 8.2036 119.1347 57.6134 40.6138 173.1102 104 T 4.9246 8.9709 121.5072 60.7106 71.6243 172.3439 105 L 6.0203 8.2869 125.2289 52.1478 45.5979 175.1225 *107 T 4.4152 8.2423 113.3772 63.1205 68.4597 172.7012 108 T 4.6856 8.2459 117.2889 60.8903 71.2181 172.7229 109 I 4.4088 8.7141 127.9693 61.2322 39.1247 175.5282 110 G 3.7244 9.0348 114.7155 45.2349 0.0000 172.0595 111 Y 4.5588 8.2995 121.0249 56.5900 39.9678 174.3018 112 W 4.8080 6.2838 121.5199 54.6056 31.6473 173.6251 113 E 4.3636 8.5003 116.9620 55.4563 32.9552 173.9163 114 E 4.0347 8.7387 117.7914 57.6191 27.6191 173.9232 115 G 4.4009 7.6814 104.8739 43.5128 0.0000 172.9207 116 S 4.2950 8.2579 116.9142 58.6207 62.7690 174.3593 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 2 N 8.41 4.56 0.00 2.72 2.82 0.00 0.00 7.14 6.77 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 3 G 8.59 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 4 A 10.06 4.87 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 R 8.88 4.33 0.00 1.80 2.14 0.00 3.09 0.00 0.00 3.19 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 6 K 7.98 5.08 0.00 1.81 1.54 0.00 1.72 0.00 0.00 1.78 0.00 0.00 2.84 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.40 7.81 7 W 8.91 5.28 0.00 3.14 3.16 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 8 F 9.22 5.12 0.00 2.97 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 9 F 9.59 4.61 0.00 2.99 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 10 P 0.00 4.35 0.00 2.06 2.12 0.00 3.80 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.05 0.00 11 D 8.03 4.63 0.00 2.69 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 12 G 8.29 3.42 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 0.00 13 Y 8.79 4.74 0.00 2.91 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 14 I 7.80 4.51 1.80 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 1.44 0.82 0.88 0.00 0.00 15 P 0.00 4.63 0.00 2.08 2.12 0.00 3.65 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 2.11 2.33 0.00 16 N 8.50 4.79 0.00 2.79 2.87 0.00 0.00 6.02 7.00 0.00 0.00 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 G 7.66 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 0.00 0.00 0.00 0.00 18 K 8.30 5.14 0.00 1.57 1.72 0.00 1.74 0.00 0.00 1.61 0.00 0.00 2.84 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.32 1.41 7.81 19 R 9.45 4.26 0.00 1.96 1.81 0.00 3.37 0.00 0.00 3.24 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 20 G 8.74 3.71 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 0.00 0.00 0.00 21 Y 8.75 4.20 0.00 3.03 3.01 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 0.00 0.00 0.00 22 L 8.19 4.31 0.00 1.91 1.60 1.23 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 23 V 8.06 4.66 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 24 S 8.59 4.48 0.00 3.96 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 25 H 8.36 4.64 0.00 3.29 3.36 0.00 5.20 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.52 5.15 0.00 2.00 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 2.30 2.44 0.00 27 S 9.14 5.09 0.00 3.70 3.73 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 28 L 8.91 4.23 0.00 1.67 1.51 0.57 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 29 C 8.68 4.85 0.00 2.66 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 30 I 8.41 4.93 1.80 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 0.96 1.62 0.80 0.00 0.00 *32 N 8.64 4.70 0.00 2.72 2.92 0.00 0.00 6.81 7.70 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 33 T 8.58 4.34 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 1.18 0.00 0.00 34 G 8.12 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 35 D 8.49 4.70 0.00 2.78 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 36 E 7.72 4.77 0.00 1.96 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 2.18 2.30 0.00 37 T 8.64 4.17 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 1.28 0.00 0.00 38 A 9.07 4.57 1.23 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 39 K 8.64 4.72 0.00 1.72 1.76 0.00 1.62 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.45 7.81 40 I 8.83 4.77 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 1.13 0.72 0.97 0.00 0.00 41 R 9.03 4.78 0.00 1.87 1.79 0.00 3.21 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 42 I 9.12 4.56 1.87 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.51 0.37 0.00 0.00 43 T 8.20 4.92 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 1.24 0.00 0.00 44 F 9.41 4.87 0.00 2.96 2.49 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 45 L 8.81 4.99 0.00 1.56 1.57 0.98 0.83 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 46 F 8.57 5.36 0.00 3.17 3.06 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 0.00 0.00 0.00 0.00 47 E 9.20 4.31 0.00 2.08 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 2.40 2.47 0.00 48 D 7.99 4.96 0.00 2.64 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 49 S 8.06 4.77 0.00 3.72 3.57 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 50 K 8.38 4.41 0.00 1.80 1.81 0.00 1.82 0.00 0.00 1.77 0.00 0.00 2.85 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.44 7.81 51 P 0.00 5.01 0.00 2.03 2.08 0.00 3.71 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 2.10 2.18 0.00 52 V 8.91 4.59 2.40 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 0.96 0.00 0.00 1.10 0.00 0.00 53 V 8.63 5.09 2.12 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 0.97 0.00 0.00 0.99 0.00 0.00 54 H 9.61 5.17 0.00 3.32 3.27 0.00 5.81 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 E 8.68 5.29 0.00 1.82 1.81 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 2.22 2.33 0.00 56 V 8.85 4.69 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 0.77 0.00 0.00 0.94 0.00 0.00 57 E 8.65 5.28 0.00 1.79 1.79 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 2.20 2.28 0.00 58 I 8.46 4.57 1.85 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 1.21 1.68 0.90 0.00 0.00 59 S 8.80 4.52 0.00 3.79 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 60 P 0.00 4.43 0.00 2.03 2.20 0.00 3.70 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 2.06 2.20 0.00 *62 K 7.43 4.16 0.00 1.83 1.77 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.55 1.38 7.81 63 S 8.46 4.96 0.00 3.85 3.71 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 64 L 8.76 4.41 0.00 1.74 1.43 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 65 H 8.90 4.81 0.00 2.98 3.26 0.00 5.94 0.00 0.00 0.00 0.00 6.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 L 8.75 4.17 0.00 1.76 1.70 0.93 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 67 R 8.61 4.62 0.00 1.75 2.05 0.00 3.29 0.00 0.00 3.18 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.55 0.00 68 L 8.83 4.08 0.00 1.72 1.76 1.16 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 69 D 8.03 4.58 0.00 2.76 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 70 K 7.65 4.52 0.00 1.65 1.79 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.33 1.48 7.81 71 L 7.91 4.43 0.00 1.25 1.23 0.81 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 72 G 8.20 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 0.00 0.00 0.00 73 I 7.13 3.72 1.56 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 -0.13 0.59 0.00 0.00 74 P 0.00 4.24 0.00 1.96 1.91 0.00 3.54 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.97 0.00 75 K 8.36 4.08 0.00 1.68 1.64 0.00 1.85 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.40 7.81 76 C 8.36 3.28 0.00 3.02 3.09 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 77 K 7.70 4.65 0.00 1.70 1.94 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.63 1.52 7.81 78 P 0.00 5.03 0.00 2.23 2.17 0.00 4.06 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.16 0.00 79 Y 8.55 5.00 0.00 2.78 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 80 S 9.30 5.16 0.00 3.78 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 81 I 9.07 5.15 2.11 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 2.09 0.74 0.00 0.00 *83 A 8.30 4.48 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 84 E 9.21 5.02 0.00 1.85 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 2.16 2.12 0.00 85 S 9.32 5.40 0.00 3.86 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 86 N 8.59 4.69 0.00 2.73 2.94 0.00 0.00 6.69 7.93 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 87 V 7.55 4.58 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 0.74 0.00 0.00 0.95 0.00 0.00 88 P 0.00 4.61 0.00 2.04 2.10 0.00 3.67 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 2.04 2.15 0.00 89 V 8.99 4.56 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 0.72 0.00 0.00 1.01 0.00 0.00 90 V 7.70 3.91 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 0.66 0.00 0.00 0.89 0.00 0.00 *92 Q 8.36 4.52 0.00 2.17 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.63 0.00 0.00 0.00 0.00 0.00 2.32 2.51 0.00 93 L 8.55 4.90 0.00 0.32 1.15 0.78 0.57 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 94 S 8.78 5.03 0.00 3.76 3.67 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.50 4.97 0.00 1.97 1.72 0.00 3.17 0.00 0.00 3.38 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.70 0.00 96 L 8.79 4.83 0.00 1.54 1.11 0.27 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 97 D 9.00 5.21 0.00 2.76 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 98 V 8.76 4.65 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 0.53 0.00 0.00 0.93 0.00 0.00 99 G 8.37 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 0.00 0.00 0.00 0.00 100 K 8.99 4.10 0.00 1.74 1.89 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.79 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.49 7.81 101 N 8.05 5.10 0.00 2.77 2.80 0.00 0.00 6.68 8.16 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 0.00 102 H 7.77 4.86 0.00 3.35 3.37 0.00 5.30 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 Y 8.20 4.76 0.00 2.98 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 0.00 104 T 8.97 4.92 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 1.33 0.00 0.00 105 L 8.29 6.02 0.00 1.59 1.60 1.04 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 *107 T 8.24 4.42 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 1.25 0.00 0.00 108 T 8.25 4.69 4.36 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 109 I 8.71 4.41 2.05 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.26 1.23 0.00 0.00 110 G 9.03 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 0.00 111 Y 8.30 4.56 0.00 2.97 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 0.00 112 W 6.28 4.81 0.00 1.80 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 0.00 0.00 0.00 113 E 8.50 4.36 0.00 1.96 1.75 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 2.36 2.35 0.00 114 E 8.74 4.03 0.00 2.24 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 2.28 2.36 0.00 115 G 7.68 4.40 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 S 8.26 4.29 0.00 3.84 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 * Residues marked with a * may have inaccurate shift predictions.