NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.8069 8.3549 109.7354 45.6861 0.0000 175.4907 *2 T 4.0753 8.6146 119.4949 62.7580 70.3242 171.8919 *4 P 3.9366 0.0000 0.0000 63.2864 31.5199 174.3403 5 I 4.1639 6.7677 123.5591 59.9630 40.5430 175.0818 6 F 4.9111 8.2576 122.1062 55.5467 42.9313 173.6244 7 N 4.9087 8.5247 120.7865 51.5762 40.1031 175.3618 8 I 3.7777 8.5230 126.4380 64.0872 38.2357 177.0261 9 S 4.2689 8.3487 115.3825 60.4976 62.8902 174.1000 10 D 4.6132 7.8783 120.9785 53.8226 41.2324 176.9718 11 D 4.6734 8.3740 124.9819 52.6655 38.2140 175.1321 12 V 4.3990 7.1399 121.0310 60.7462 34.5413 176.2440 13 D 4.5044 8.7369 120.9219 55.3067 38.3821 173.3623 14 L 4.5307 7.2552 117.2253 54.3417 42.7001 176.7242 15 V 4.4445 8.7982 124.4179 60.2586 33.6081 173.1257 16 P 4.5028 0.0000 0.0000 63.7394 31.2309 175.5152 17 A 4.5824 8.5407 124.6438 52.5211 21.3029 174.6289 *19 P 4.2902 0.0000 0.0000 62.4149 32.5112 176.6375 20 A 3.5365 8.3508 122.3610 50.9308 19.7509 177.2041 21 E 3.6842 8.2535 119.8820 58.0483 29.9249 178.4368 22 G 3.8935 10.2365 110.0901 45.5089 0.0000 172.5977 23 R 4.4908 7.2832 114.1455 56.0090 32.3057 174.2277 24 D 4.8939 8.5975 115.0402 53.6829 41.3213 176.1243 25 G 4.2572 7.7160 107.6922 43.6614 0.0000 175.0519 26 G 5.2315 7.8916 117.8478 46.1913 0.0000 172.4290 27 S 4.5940 6.8236 113.4725 56.2557 66.8300 172.4865 28 Y 5.1080 7.4493 116.0761 56.5674 42.5826 173.9435 29 R 5.1091 9.3980 122.2420 54.6185 34.1384 174.2588 30 R 4.7788 9.0490 125.4975 54.2777 32.7853 174.1013 31 Q 4.3150 8.8059 128.5719 56.6024 29.2323 175.2329 32 I 4.1036 8.6244 126.8885 62.4213 39.1977 175.9664 33 W 5.1215 7.7891 129.5553 56.2136 34.2150 173.1788 34 Q 4.5251 7.1298 125.8876 54.1210 31.5965 173.7250 35 D 3.8439 8.0652 126.6393 53.4114 42.1629 175.1327 36 D 4.6872 8.3327 123.3364 53.9066 40.4081 176.3886 37 V 4.4121 7.4929 114.2524 60.4444 34.5286 175.8031 38 E 4.1237 8.6938 117.8064 57.9291 29.7394 177.6392 39 N 4.2841 8.9402 119.6351 53.2472 36.2923 175.0183 40 G 3.7820 7.6904 105.5089 45.3674 0.0000 174.5608 41 T 4.3112 8.4745 117.3756 63.9077 69.9232 173.1995 42 I 5.0041 8.9617 125.6345 59.4881 40.9979 174.5405 43 V 5.0598 9.2259 126.0839 61.1695 34.2505 174.1586 44 A 5.0930 9.1123 128.4595 50.4514 23.2170 175.0014 45 V 4.4250 8.9808 120.8790 62.2713 33.2256 174.9393 46 W 5.7744 9.1501 135.0000 54.3566 34.8939 173.3393 *48 A 4.0959 8.2572 121.4920 51.6437 19.1991 176.0545 49 E 4.7431 8.7956 120.6523 54.1871 31.4356 174.7319 50 P 4.8114 0.0000 0.0000 61.4148 31.8992 176.7731 51 G 4.0407 7.9158 109.7331 45.1377 0.0000 170.2549 52 I 4.8664 7.2294 119.7430 59.6350 39.6153 174.8135 53 Y 4.7700 9.1608 124.2948 56.2948 41.1463 174.0653 54 N 5.2121 8.6698 121.8945 51.6249 40.8850 173.8391 55 Y 4.6520 8.9319 121.4252 55.8363 40.8516 175.7189 56 A 4.5364 8.7869 125.9585 51.1684 19.7591 177.0692 57 G 3.9899 8.5202 106.2707 46.2983 0.0000 173.3854 58 R 4.8060 8.4283 120.5939 53.6166 34.6414 175.0721 59 D 4.8975 8.2067 122.3324 51.9413 39.0694 174.9548 60 L 4.8368 7.3082 119.0036 55.1645 44.1554 174.7787 61 E 4.8807 8.8691 120.0746 54.8501 31.9886 174.8289 62 E 5.0512 8.8860 123.7598 54.7646 33.5970 174.2815 63 T 5.2132 8.9366 122.4016 61.7045 72.2909 172.9789 64 F 5.6364 9.0535 120.7954 54.9476 42.1316 173.9120 65 V 4.9398 8.7383 119.1772 59.9135 34.3684 174.7227 66 V 4.0259 8.9735 125.2785 62.7644 31.9609 176.2704 67 V 4.1511 8.6461 127.9917 63.7954 33.1967 175.7616 68 E 4.5758 7.5782 118.1119 55.5564 34.2202 176.7913 69 G 4.4063 9.1836 108.0350 46.4036 0.0000 171.5086 70 E 5.5434 8.6988 115.8985 54.9203 34.0517 175.1479 71 A 5.0682 9.0503 121.7993 50.9929 23.5773 175.1638 72 L 5.0097 9.1810 120.8444 53.7932 43.4889 175.2525 73 Y 5.3346 9.2422 125.7784 55.8094 41.8718 174.4035 74 S 4.8233 8.1792 119.3778 56.7390 67.3956 172.6020 75 Q 4.8322 8.2309 118.7636 54.2007 31.9954 175.1719 76 A 3.3563 9.0424 129.1206 54.7074 18.0867 178.2740 77 D 4.7067 8.7204 116.7957 55.0355 39.8716 175.2848 78 A 4.2499 7.6912 122.8029 52.8273 18.9246 177.8607 79 D 4.5606 8.4542 121.3228 53.6743 41.5276 174.8614 80 P 4.6870 0.0000 0.0000 63.0907 32.3109 175.8079 81 V 4.5480 8.8787 122.6139 60.7628 35.0242 174.4054 82 K 4.8986 8.8181 128.6758 56.3222 32.8739 175.8412 83 I 4.7175 9.1241 121.0207 59.7681 41.2320 174.9674 84 G 4.8102 8.7181 108.8388 44.9869 0.0000 170.1195 85 P 4.5542 0.0000 0.0000 64.5571 31.4754 176.7672 86 G 4.0218 9.1229 112.6684 45.1195 0.0000 173.9836 87 S 4.3420 8.2343 116.9015 58.6232 63.9924 173.4204 88 I 4.8648 8.1643 123.8751 59.4117 40.2052 175.0136 89 V 4.0714 8.1719 126.1450 60.9185 34.4927 174.1329 90 S 5.1719 8.4648 122.9260 56.7782 65.6338 173.4218 91 I 4.6335 8.8635 123.5956 59.2527 41.3431 174.5417 92 A 5.0182 8.6312 130.6363 50.4337 20.0491 176.3754 93 K 4.3942 8.2199 120.3780 57.6323 32.5268 177.6288 94 G 3.9090 9.2572 113.9357 45.3206 0.0000 172.5790 95 V 4.1981 7.5234 121.1949 61.2167 32.7569 173.9268 96 P 4.8569 0.0000 0.0000 62.9914 33.2246 174.8932 97 S 4.9717 9.0936 114.6801 57.4758 67.2830 172.7385 98 R 5.1058 8.7676 120.0697 54.8074 33.7155 173.4125 99 L 5.1485 9.3269 126.2564 53.1620 44.9079 175.2724 100 E 4.8421 9.3989 127.0710 54.6857 30.2914 174.3510 101 I 4.2186 9.0288 128.8902 61.2521 37.7397 176.8187 102 L 4.6413 9.0820 127.1865 55.9201 42.9690 176.8052 103 S 4.7439 8.0469 110.6702 56.4609 66.1370 174.2956 104 S 4.3151 8.8379 116.3554 59.6764 63.5446 173.2433 105 F 5.2087 9.0619 126.8473 56.4332 42.0623 174.4339 106 R 4.9367 8.6712 124.3986 54.2617 34.0262 174.3284 107 K 4.9664 9.2052 122.7801 54.8839 36.5175 174.6275 108 L 5.1134 8.7294 123.8260 53.5955 43.9533 174.7032 109 A 5.2517 9.2814 128.7388 50.5423 21.8875 174.9650 110 T 4.9706 9.0752 119.6565 61.8377 71.0141 173.8120 111 V 4.8208 9.0816 126.6559 61.1068 34.7576 174.1176 112 I 4.6526 8.9201 129.3028 58.7655 38.9431 173.3733 113 P 4.4849 0.0000 0.0000 62.3170 31.7486 177.3219 114 K 4.7568 8.5003 122.0989 54.1077 31.6708 174.7994 115 P 4.3920 0.0000 0.0000 63.0271 31.1822 177.1378 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 0 G 8.35 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 0.00 0.00 0.00 *2 T 8.61 4.08 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 1.17 0.00 0.00 *4 P 0.00 3.94 0.00 2.31 2.24 0.00 3.65 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 1.88 2.03 0.00 5 I 6.77 4.16 1.64 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.49 0.79 0.00 0.00 6 F 8.26 4.91 0.00 3.04 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 7 N 8.52 4.91 0.00 2.71 2.87 0.00 0.00 6.56 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 8 I 8.52 3.78 1.89 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 1.41 0.94 0.90 0.00 0.00 9 S 8.35 4.27 0.00 4.02 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 10 D 7.88 4.61 0.00 2.84 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 11 D 8.37 4.67 0.00 2.60 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 12 V 7.14 4.40 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 0.89 0.00 0.00 0.94 0.00 0.00 13 D 8.74 4.50 0.00 2.81 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 14 L 7.26 4.53 0.00 1.44 1.64 0.85 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 15 V 8.80 4.44 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 1.04 0.00 0.00 0.97 0.00 0.00 16 P 0.00 4.50 0.00 2.01 2.02 0.00 3.76 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.43 0.00 17 A 8.54 4.58 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 *19 P 0.00 4.29 0.00 2.24 2.16 0.00 3.77 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 1.84 1.96 0.00 20 A 8.35 3.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.25 3.68 0.00 1.80 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 2.23 2.32 0.00 22 G 10.24 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 23 R 7.28 4.49 0.00 1.86 1.87 0.00 3.02 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.68 0.00 24 D 8.60 4.89 0.00 2.66 2.68 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 25 G 7.72 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 26 G 7.89 5.23 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 27 S 6.82 4.59 0.00 2.72 3.19 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 28 Y 7.45 5.11 0.00 2.83 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 29 R 9.40 5.11 0.00 2.00 1.82 0.00 3.12 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 1.57 1.73 0.00 30 R 9.05 4.78 0.00 1.87 1.74 0.00 3.29 0.00 0.00 3.03 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.64 0.00 31 Q 8.81 4.31 0.00 2.10 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 6.63 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 32 I 8.62 4.10 2.03 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.00 0.91 0.00 0.00 33 W 7.79 5.12 0.00 3.41 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 34 Q 7.13 4.53 0.00 1.84 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.74 0.00 0.00 0.00 0.00 0.00 1.97 2.17 0.00 35 D 8.07 3.84 0.00 2.70 2.47 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 36 D 8.33 4.69 0.00 2.75 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 37 V 7.49 4.41 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 0.92 0.00 0.00 1.01 0.00 0.00 38 E 8.69 4.12 0.00 1.98 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 2.24 1.93 0.00 39 N 8.94 4.28 0.00 2.86 2.92 0.00 0.00 7.02 7.65 0.00 0.00 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 G 7.69 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 41 T 8.47 4.31 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 1.39 0.00 0.00 42 I 8.96 5.00 1.90 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 1.07 0.88 0.98 0.00 0.00 43 V 9.23 5.06 2.28 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 1.12 0.00 0.00 1.09 0.00 0.00 44 A 9.11 5.09 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 45 V 8.98 4.42 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 46 W 9.15 5.77 0.00 3.28 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 *48 A 8.26 4.10 -0.11 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 49 E 8.80 4.74 0.00 1.95 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 0.00 2.37 2.50 0.00 50 P 0.00 4.81 0.00 2.08 2.14 0.00 3.90 0.00 0.00 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.15 0.00 51 G 7.92 4.04 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 0.00 0.00 0.00 52 I 7.23 4.87 1.74 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.72 0.88 0.00 0.00 53 Y 9.16 4.77 0.00 3.13 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 54 N 8.67 5.21 0.00 2.47 2.66 0.00 0.00 6.98 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 55 Y 8.93 4.65 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 56 A 8.79 4.54 1.24 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 0.00 0.00 0.00 57 G 8.52 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 58 R 8.43 4.81 0.00 1.73 1.79 0.00 3.12 0.00 0.00 3.41 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.89 0.00 59 D 8.21 4.90 0.00 2.61 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 60 L 7.31 4.84 0.00 1.83 1.71 0.90 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 61 E 8.87 4.88 0.00 1.90 1.88 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 2.25 2.38 0.00 62 E 8.89 5.05 0.00 2.03 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 2.30 2.45 0.00 63 T 8.94 5.21 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 1.17 0.00 0.00 64 F 9.05 5.64 0.00 3.04 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 65 V 8.74 4.94 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 0.95 0.00 0.00 66 V 8.97 4.03 2.27 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 0.59 0.00 0.00 1.22 0.00 0.00 67 V 8.65 4.15 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 0.80 0.00 0.00 0.91 0.00 0.00 68 E 7.58 4.58 0.00 1.81 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 2.25 2.24 0.00 69 G 9.18 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 70 E 8.70 5.54 0.00 2.03 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 2.30 2.32 0.00 71 A 9.05 5.07 1.19 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 0.00 0.00 72 L 9.18 5.01 0.00 1.62 1.66 0.96 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 73 Y 9.24 5.33 0.00 3.14 2.98 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 74 S 8.18 4.82 0.00 3.87 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 75 Q 8.23 4.83 0.00 1.99 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 5.89 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 76 A 9.04 3.36 1.09 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 77 D 8.72 4.71 0.00 2.71 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 78 A 7.69 4.25 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 79 D 8.45 4.56 0.00 2.59 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 80 P 0.00 4.69 0.00 1.96 2.01 0.00 3.62 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 81 V 8.88 4.55 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 1.00 0.00 0.00 1.03 0.00 0.00 82 K 8.82 4.90 0.00 1.87 1.76 0.00 1.82 0.00 0.00 1.81 0.00 0.00 3.11 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.50 1.63 7.81 83 I 9.12 4.72 1.99 0.00 0.00 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 1.53 1.11 0.96 0.00 0.00 84 G 8.72 4.81 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 0.00 0.00 0.00 85 P 0.00 4.55 0.00 2.05 2.17 0.00 3.68 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 86 G 9.12 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 0.00 0.00 0.00 87 S 8.23 4.34 0.00 3.89 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 88 I 8.16 4.86 1.77 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.73 0.83 0.00 0.00 89 V 8.17 4.07 0.67 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 0.34 0.00 0.00 0.25 0.00 0.00 90 S 8.46 5.17 0.00 3.69 3.68 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 91 I 8.86 4.63 1.97 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.53 0.96 0.00 0.00 92 A 8.63 5.02 1.25 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 0.00 0.00 93 K 8.22 4.39 0.00 1.79 1.76 0.00 1.70 0.00 0.00 1.56 0.00 0.00 2.98 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.47 1.54 7.81 94 G 9.26 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 95 V 7.52 4.20 2.21 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 0.97 0.00 0.00 1.03 0.00 0.00 96 P 0.00 4.86 0.00 2.16 2.16 0.00 3.74 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.96 0.00 97 S 9.09 4.97 0.00 3.80 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 98 R 8.77 5.11 0.00 1.81 1.65 0.00 3.00 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.72 0.00 99 L 9.33 5.15 0.00 1.85 1.60 0.89 0.53 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 0.00 100 E 9.40 4.84 0.00 2.03 1.90 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 2.27 2.30 0.00 101 I 9.03 4.22 2.17 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.83 1.02 0.00 0.00 102 L 9.08 4.64 0.00 1.65 1.77 0.99 0.89 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 0.00 103 S 8.05 4.74 0.00 3.88 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 0.00 104 S 8.84 4.32 0.00 3.82 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 0.00 105 F 9.06 5.21 0.00 3.16 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 0.00 106 R 8.67 4.94 0.00 1.61 1.69 0.00 3.19 0.00 0.00 3.42 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.50 0.00 107 K 9.21 4.97 0.00 1.87 1.68 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.17 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.72 1.38 7.81 108 L 8.73 5.11 0.00 1.82 1.61 0.97 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 109 A 9.28 5.25 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 0.00 110 T 9.08 4.97 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 1.26 0.00 0.00 111 V 9.08 4.82 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 1.08 0.00 0.00 0.92 0.00 0.00 112 I 8.92 4.65 1.89 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 1.25 0.51 0.93 0.00 0.00 113 P 0.00 4.48 0.00 1.93 1.99 0.00 3.80 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 114 K 8.50 4.76 0.00 1.56 1.70 0.00 1.73 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.57 1.51 7.81 115 P 0.00 4.39 0.00 2.17 2.04 0.00 3.80 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 1.99 2.16 0.00 * Residues marked with a * may have inaccurate shift predictions.