NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7737 8.3549 109.7370 45.3924 0.0000 177.0480 *2 D 4.3981 8.8181 120.9171 53.2941 41.8456 174.2606 3 N 4.5296 8.4286 119.3799 52.8475 39.6863 173.3424 4 P 4.4466 0.0000 0.0000 65.4267 32.4970 176.0929 5 V 4.2164 7.6619 119.2939 61.5932 33.0263 175.0437 6 N 4.8257 8.6688 125.2449 51.8200 41.9927 173.1520 7 I 4.2800 8.3710 127.7957 61.1028 37.8385 175.7542 8 L 4.7286 8.9195 128.1591 53.6239 43.3069 176.7359 9 N 4.7216 8.9335 120.0339 51.8267 39.2174 175.9656 10 E 4.0412 8.7812 119.2796 60.1299 29.2614 180.2789 11 Q 3.9754 8.0223 120.2375 60.3007 28.3972 180.4086 12 E 4.0688 9.2155 121.2316 59.0570 29.5028 179.3396 13 A 3.8878 7.9993 120.7299 55.1601 18.3165 179.5169 14 L 3.9966 7.9852 121.0705 58.8636 41.9372 179.6416 15 E 4.2551 8.0904 118.9936 60.3911 30.0081 181.0529 16 R 3.7822 7.7584 118.9341 59.2442 30.1564 178.5178 17 L 4.3368 7.7304 118.7419 58.1861 41.1795 179.5496 18 Q 4.2177 8.0415 117.7760 58.3479 28.3747 178.4897 19 S 4.4042 7.8116 113.9586 59.2982 63.4384 174.1768 20 V 4.7017 7.3497 114.5237 59.6728 35.1551 175.1615 21 S 4.0818 8.5328 113.8273 57.8101 65.1180 173.0240 22 L 5.3184 7.9635 122.5964 53.8774 44.2153 175.3072 23 G 4.0407 8.6399 110.9807 45.9265 0.0000 171.6911 24 R 5.1105 8.4086 117.7878 54.1340 34.7157 175.0626 25 V 4.6161 8.1566 121.4692 61.1002 34.4078 174.2660 26 V 4.4391 8.6693 128.4354 61.4802 32.9842 174.9044 27 V 4.7221 8.5505 121.2443 59.4180 35.0529 175.0045 28 R 4.4959 8.6329 125.7104 55.4047 32.7229 175.3712 29 R 4.9240 8.8223 125.3448 54.8105 31.5324 172.9362 30 S 3.5697 8.1545 125.5751 60.0556 62.0067 172.8879 31 D 4.8384 8.8256 114.8052 52.9057 39.3104 174.3981 32 E 4.5799 7.7643 119.7108 56.2498 33.8219 173.7071 *34 D 4.7021 8.2886 117.3817 54.7359 42.6148 174.7535 35 I 4.7919 8.1346 120.2593 59.1838 41.2384 174.4960 36 F 5.1460 7.8169 122.3477 54.6434 41.3749 171.9729 37 P 4.9227 0.0000 0.0000 63.0773 32.2722 175.8815 38 V 4.4277 9.0613 114.3799 59.7671 36.3164 174.2276 39 N 5.3520 8.6048 120.9600 52.8042 39.5787 174.3172 40 F 5.3980 9.0023 117.4320 55.6458 41.9244 173.4295 41 I 4.5890 8.8552 118.4436 59.4181 41.6101 173.5829 42 V 4.8898 8.5153 128.2874 61.5517 33.2788 174.7796 43 D 4.5932 9.6229 127.1887 54.1413 44.3064 175.1920 44 K 3.8977 9.8205 127.3504 57.6850 29.5752 176.1952 45 G 3.8697 8.4532 103.4563 45.6046 0.0000 173.2538 46 A 4.7135 7.7632 121.3884 49.9429 22.4849 175.5188 47 I 4.6929 8.0735 121.2005 59.9799 39.3395 174.4532 48 Y 5.3425 9.2395 125.1213 56.1756 40.8378 174.8933 49 I 5.2348 8.8359 115.8899 59.2343 41.6637 173.8154 50 R 4.9663 8.7129 123.6611 54.9987 32.1006 174.5615 51 T 4.7507 8.7064 119.4258 60.0481 71.5967 172.2341 52 A 4.7378 8.4808 127.6081 51.3906 20.2382 178.1204 53 E 3.9297 8.5549 116.2013 55.3511 29.5166 177.6040 *62 L 4.1701 8.2281 124.2856 53.4703 42.8062 177.2335 63 N 4.6446 8.5609 121.3212 53.5099 39.2714 175.2348 64 H 4.3909 8.7652 117.3117 58.2649 30.2060 174.7547 65 D 5.1051 8.1164 118.6028 53.6631 41.4684 176.3124 66 V 4.6837 9.0110 116.7106 59.4927 36.3014 174.4460 67 L 5.2187 8.3826 121.6993 53.1928 44.3074 175.5155 68 F 5.1980 9.2539 124.9489 56.3709 42.6628 173.4068 69 E 5.0761 8.1195 125.5659 54.4829 33.3243 173.8492 70 A 4.9990 8.6975 126.5965 50.7727 23.1832 174.6788 71 D 4.3472 8.0633 119.1788 52.5431 43.0301 173.6294 72 E 4.3354 7.4006 116.3459 55.2685 33.5637 174.5457 73 V 4.2487 8.1895 124.7048 60.9117 33.4082 174.8875 74 K 4.4128 8.9337 128.6572 56.3601 35.7015 175.4899 75 D 4.5162 9.8511 126.4278 54.6291 38.2519 173.7445 76 G 3.9295 8.1554 103.7130 47.4375 0.0000 172.5765 77 K 5.1994 8.0748 122.1361 53.2249 35.6123 178.7153 78 A 5.3861 9.0295 127.2777 49.4200 22.4700 174.9773 79 W 5.8552 8.3261 114.8029 56.1335 32.0456 173.5556 80 S 5.3851 9.4789 114.6908 57.2576 66.6820 173.0690 81 V 4.9721 9.3049 121.4327 61.4374 34.6099 174.0622 82 V 4.8300 8.8511 127.9959 61.1648 34.1521 174.4110 83 V 4.8832 9.0542 126.9377 61.2583 34.9585 174.0828 84 R 5.0481 8.8753 126.6379 54.9870 32.0599 175.3388 85 A 4.9339 8.8246 123.7607 51.3726 23.7242 174.6778 86 T 4.9066 8.6479 115.9095 62.1861 70.4110 173.9884 87 A 5.2320 9.1688 129.1739 50.2906 21.0373 176.0685 88 E 4.7535 8.9633 119.7009 54.5000 33.3537 174.8663 89 I 4.3201 8.4883 124.6991 61.2720 38.0272 175.7135 90 V 3.9190 9.2884 128.4934 62.9717 31.1082 175.6428 91 R 4.4448 8.8159 129.0170 57.2622 32.7436 177.7605 92 K 4.1064 7.9769 123.2734 56.6530 32.5208 181.2338 93 L 4.3235 8.6697 125.9180 56.6049 41.6427 179.2716 94 D 4.3959 8.0709 119.0889 56.5375 39.3434 178.3609 95 E 4.0140 7.8625 119.2069 59.0513 29.4476 179.2859 96 I 3.7561 7.7267 119.2128 64.3875 36.9889 178.2037 97 A 4.0222 7.8456 120.2401 55.4053 18.5077 178.7491 98 Y 4.0670 8.0105 117.6016 60.7866 39.0013 177.9312 99 A 3.2077 8.1010 122.0270 55.0971 17.9450 179.3510 100 D 4.8654 8.0125 117.9848 57.0777 40.9215 178.7919 101 T 3.9015 7.3689 109.5125 63.1351 69.0919 174.9688 102 L 3.8390 6.7932 124.3962 54.5863 42.1309 177.3118 103 E 4.0231 8.5164 119.3857 55.7075 28.8441 174.3378 104 L 4.4650 8.2260 129.2733 53.1197 43.0181 176.2553 105 K 4.4070 8.2110 127.6217 51.5791 31.3634 172.5828 106 P 4.5533 0.0000 0.0000 61.3697 32.2935 177.2533 107 W 4.6009 8.8675 119.7183 59.6840 28.9054 177.1281 108 I 4.4564 7.5636 121.5431 58.4604 37.5784 173.4632 109 P 4.5134 0.0000 0.0000 62.3403 32.2195 176.1135 110 T 4.7702 7.8319 108.4193 59.5351 71.9299 174.1120 111 L 4.1383 8.7486 122.7696 57.5598 41.8345 177.6950 112 K 4.3576 7.8966 118.9393 55.1515 33.0141 174.7773 113 Y 5.0577 7.6291 122.7330 55.9969 40.9368 173.5625 114 N 5.0848 8.9608 117.9669 51.8573 42.4621 173.0271 115 Y 5.2901 8.5280 118.5608 56.4838 40.9714 174.6367 116 V 4.8178 9.0477 124.0438 61.1663 34.4136 174.0745 117 R 4.3058 9.1755 129.4118 55.0564 31.6392 174.9057 118 I 4.6154 8.6183 128.8827 59.9122 39.0840 175.1979 119 V 4.3227 8.8094 129.2633 60.3134 32.7808 173.3477 120 P 4.6833 0.0000 0.0000 63.6166 31.1265 176.1389 121 N 4.6030 9.2872 123.2991 55.3114 39.3532 175.3859 122 E 4.7497 8.0148 118.3095 54.3284 33.6293 174.1501 123 I 4.9366 8.5349 125.4508 60.0803 40.5551 174.5761 124 T 4.6528 9.1124 124.7965 61.5784 71.3396 173.8687 125 G 4.4873 8.5991 112.2139 44.5689 0.0000 171.3534 126 R 5.0506 9.0812 122.8232 54.1582 34.2854 173.8249 127 E 5.3462 8.9124 124.2942 54.4290 32.6280 174.5068 128 F 5.3305 9.9346 125.1869 56.0637 43.0287 174.2845 129 T 4.7565 8.8943 120.2795 62.1019 69.1228 174.7664 130 L 4.3539 8.6906 127.2033 54.0796 43.1967 177.3516 131 G 3.9901 8.5684 109.7517 43.9984 0.0000 173.2901 132 E 4.2000 8.5229 125.6676 55.9541 30.0218 175.1456 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 3.77 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 *2 D 8.82 4.40 0.00 2.71 2.66 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 0.00 0.00 0.00 0.00 3 N 8.43 4.53 0.00 2.65 2.86 0.00 0.00 7.02 7.69 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 4 P 0.00 4.45 0.00 2.25 2.35 0.00 3.75 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 2.12 2.02 0.00 5 V 7.66 4.22 1.99 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 0.39 0.00 0.00 0.97 0.00 0.00 6 N 8.67 4.83 0.00 2.75 2.51 0.00 0.00 7.13 8.34 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 7 I 8.37 4.28 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.58 0.93 0.00 0.00 8 L 8.92 4.73 0.00 1.51 1.53 0.83 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 9 N 8.93 4.72 0.00 2.94 2.95 0.00 0.00 7.08 7.24 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 10 E 8.78 4.04 0.00 2.02 2.03 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 2.55 2.36 0.00 11 Q 8.02 3.98 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.90 0.00 0.00 0.00 0.00 0.00 2.36 2.02 0.00 12 E 9.22 4.07 0.00 1.90 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 2.28 2.42 0.00 13 A 8.00 3.89 1.39 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 0.00 0.00 0.00 14 L 7.99 4.00 0.00 2.02 1.77 0.90 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.09 4.26 0.00 2.11 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 2.26 2.05 0.00 16 R 7.76 3.78 0.00 1.67 1.56 0.00 2.21 0.00 0.00 2.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 17 L 7.73 4.34 0.00 2.08 2.10 0.97 1.19 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 18 Q 8.04 4.22 0.00 2.25 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.83 0.00 0.00 0.00 0.00 0.00 2.44 2.57 0.00 19 S 7.81 4.40 0.00 4.18 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 20 V 7.35 4.70 2.29 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 1.09 0.00 0.00 1.60 0.00 0.00 21 S 8.53 4.08 0.00 3.72 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 22 L 7.96 5.32 0.00 1.83 1.73 1.08 1.28 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 23 G 8.64 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 24 R 8.41 5.11 0.00 1.49 1.59 0.00 3.08 0.00 0.00 3.05 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.51 0.00 25 V 8.16 4.62 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 0.95 0.00 0.00 1.16 0.00 0.00 26 V 8.67 4.44 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 0.84 0.00 0.00 0.79 0.00 0.00 27 V 8.55 4.72 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 0.74 0.00 0.00 0.99 0.00 0.00 28 R 8.63 4.50 0.00 1.84 1.75 0.00 3.11 0.00 0.00 3.37 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 29 R 8.82 4.92 0.00 1.71 1.77 0.00 3.47 0.00 0.00 3.09 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.39 0.00 30 S 8.15 3.57 0.00 3.98 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 31 D 8.83 4.84 0.00 2.74 2.51 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 0.00 0.00 0.00 32 E 7.76 4.58 0.00 1.94 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 2.23 2.28 0.00 *34 D 8.29 4.70 0.00 2.71 2.74 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 35 I 8.13 4.79 1.74 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.66 0.87 0.00 0.00 36 F 7.82 5.15 0.00 3.07 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 37 P 0.00 4.92 0.00 1.73 2.10 0.00 3.78 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 1.63 2.12 0.00 38 V 9.06 4.43 2.20 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 0.97 0.00 0.00 1.17 0.00 0.00 39 N 8.60 5.35 0.00 2.57 2.75 0.00 0.00 6.72 7.45 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 40 F 9.00 5.40 0.00 3.14 3.18 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 0.00 41 I 8.86 4.59 1.87 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 1.08 1.46 1.00 0.00 0.00 42 V 8.52 4.89 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 0.86 0.00 0.00 1.17 0.00 0.00 43 D 9.62 4.59 0.00 2.81 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 K 9.82 3.90 0.00 1.99 1.87 0.00 1.88 0.00 0.00 1.67 0.00 0.00 2.79 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.38 1.50 7.81 45 G 8.45 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 46 A 7.76 4.71 1.01 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 0.00 0.00 47 I 8.07 4.69 1.39 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.29 0.17 0.00 0.00 48 Y 9.24 5.34 0.00 2.99 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 49 I 8.84 5.23 2.01 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.14 1.17 0.00 0.00 50 R 8.71 4.97 0.00 1.74 1.77 0.00 2.36 0.00 0.00 2.82 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.20 0.00 51 T 8.71 4.75 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 1.20 0.00 0.00 52 A 8.48 4.74 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 53 E 8.55 3.93 0.00 2.00 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 2.23 1.90 0.00 *62 L 8.23 4.17 0.00 1.64 1.72 0.94 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 63 N 8.56 4.64 0.00 2.81 2.77 0.00 0.00 7.11 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 64 H 8.77 4.39 0.00 3.08 3.36 0.00 5.61 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 D 8.12 5.11 0.00 2.57 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 66 V 9.01 4.68 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 0.89 0.00 0.00 0.95 0.00 0.00 67 L 8.38 5.22 0.00 1.54 1.52 0.88 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 68 F 9.25 5.20 0.00 2.94 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 69 E 8.12 5.08 0.00 1.79 1.44 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 0.00 2.12 2.30 0.00 70 A 8.70 5.00 1.41 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 71 D 8.06 4.35 0.00 2.47 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 72 E 7.40 4.34 0.00 1.21 1.12 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 2.01 2.07 0.00 73 V 8.19 4.25 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 0.82 0.00 0.00 0.81 0.00 0.00 74 K 8.93 4.41 0.00 1.82 1.65 0.00 2.04 0.00 0.00 1.79 0.00 0.00 3.02 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.38 1.41 7.81 75 D 9.85 4.52 0.00 2.91 2.74 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 76 G 8.16 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 0.00 0.00 0.00 77 K 8.07 5.20 0.00 1.37 1.62 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.26 1.24 7.81 78 A 9.03 5.39 1.20 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 0.00 0.00 0.00 79 W 8.33 5.86 0.00 3.60 3.23 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 80 S 9.48 5.39 0.00 3.99 4.01 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 81 V 9.30 4.97 2.33 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 1.03 0.00 0.00 1.09 0.00 0.00 82 V 8.85 4.83 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 0.97 0.00 0.00 0.95 0.00 0.00 83 V 9.05 4.88 2.26 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 0.96 0.00 0.00 1.02 0.00 0.00 84 R 8.88 5.05 0.00 1.80 1.82 0.00 3.37 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 85 A 8.82 4.93 1.20 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 0.00 0.00 0.00 86 T 8.65 4.91 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 1.23 0.00 0.00 87 A 9.17 5.23 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 88 E 8.96 4.75 0.00 2.05 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 0.00 2.27 2.30 0.00 89 I 8.49 4.32 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.83 1.01 0.00 0.00 90 V 9.29 3.92 2.32 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 0.88 0.00 0.00 1.21 0.00 0.00 91 R 8.82 4.44 0.00 1.83 1.94 0.00 3.30 0.00 0.00 3.29 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 92 K 7.98 4.11 0.00 1.76 1.72 0.00 1.80 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.10 7.81 93 L 8.67 4.32 0.00 1.74 1.77 0.97 1.02 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 94 D 8.07 4.40 0.00 2.95 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 95 E 7.86 4.01 0.00 2.37 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 0.00 2.35 2.37 0.00 96 I 7.73 3.76 2.10 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 1.65 0.89 1.10 0.00 0.00 97 A 7.85 4.02 1.41 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 98 Y 8.01 4.07 0.00 3.05 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 99 A 8.10 3.21 -0.06 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 0.00 0.00 100 D 8.01 4.87 0.00 2.89 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 0.00 101 T 7.37 3.90 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 1.16 0.00 0.00 102 L 6.79 3.84 0.00 1.57 1.47 0.26 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 103 E 8.52 4.02 0.00 1.99 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 2.23 1.86 0.00 104 L 8.23 4.46 0.00 1.54 1.62 1.11 0.88 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 0.00 105 K 8.21 4.41 0.00 1.80 1.61 0.00 1.86 0.00 0.00 1.76 0.00 0.00 2.80 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.27 0.96 7.81 106 P 0.00 4.55 0.00 2.15 2.02 0.00 3.70 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 1.93 1.87 0.00 107 W 8.87 4.60 0.00 3.38 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 0.00 108 I 7.56 4.46 1.95 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 1.53 0.74 0.94 0.00 0.00 109 P 0.00 4.51 0.00 2.10 1.98 0.00 3.72 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 110 T 7.83 4.77 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 1.22 0.00 0.00 111 L 8.75 4.14 0.00 1.69 1.82 0.96 0.88 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 0.00 112 K 7.90 4.36 0.00 1.68 1.70 0.00 1.60 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.33 1.40 7.81 113 Y 7.63 5.06 0.00 2.94 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 0.00 114 N 8.96 5.08 0.00 2.74 2.76 0.00 0.00 7.07 7.16 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 0.00 115 Y 8.53 5.29 0.00 3.07 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 0.00 116 V 9.05 4.82 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 1.04 0.00 0.00 1.01 0.00 0.00 117 R 9.18 4.31 0.00 1.76 1.75 0.00 3.01 0.00 0.00 2.75 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.19 0.00 118 I 8.62 4.62 1.62 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.46 0.82 0.00 0.00 119 V 8.81 4.32 2.03 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 0.91 0.00 0.00 0.85 0.00 0.00 120 P 0.00 4.68 0.00 1.94 1.96 0.00 3.71 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.02 0.00 121 N 9.29 4.60 0.00 2.55 2.85 0.00 0.00 6.76 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 0.00 122 E 8.01 4.75 0.00 1.99 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 2.26 2.31 0.00 123 I 8.53 4.94 1.87 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 1.34 0.78 0.92 0.00 0.00 124 T 9.11 4.65 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 1.24 0.00 0.00 125 G 8.60 4.49 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 0.00 0.00 0.00 126 R 9.08 5.05 0.00 1.90 1.33 0.00 3.24 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.56 0.00 127 E 8.91 5.35 0.00 2.00 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 2.27 2.38 0.00 128 F 9.93 5.33 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 0.00 129 T 8.89 4.76 4.30 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 1.25 0.00 0.00 130 L 8.69 4.35 0.00 1.67 1.61 0.91 0.70 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 0.00 131 G 8.57 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 0.00 132 E 8.52 4.20 0.00 1.86 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 2.17 2.33 0.00 * Residues marked with a * may have inaccurate shift predictions.