NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *3 H 4.6092 8.5445 117.3745 53.4751 30.8033 173.2517 4 L 4.3171 7.8487 118.3319 55.0549 38.4844 177.8379 5 K 4.4977 9.3564 127.9382 50.7029 32.3892 175.3363 6 S 5.4014 7.2516 121.0213 57.0966 65.5374 175.2411 7 G 3.8246 6.9160 121.5677 44.1500 0.0000 176.7422 8 R 4.8930 9.0673 134.3376 56.3848 31.8299 173.1162 9 K 4.0495 8.1430 128.3859 53.2266 32.8553 173.7188 10 L 4.9968 7.5080 118.5630 55.4264 43.0585 174.3251 11 N 5.0605 8.5571 125.7647 51.9849 39.5084 174.4580 12 R 4.5798 7.5765 113.1090 53.8097 34.4138 174.7257 13 H 4.3870 8.8272 115.9286 55.8390 29.3494 176.8600 14 S 3.8959 8.1509 113.6142 61.4770 63.9423 176.9438 15 S 4.0233 8.2277 117.0405 60.8171 63.0907 175.2180 16 H 3.8813 7.9650 122.4491 59.0497 29.3740 176.0036 17 R 3.4594 7.9281 119.8465 59.4059 29.7215 177.5803 18 L 3.8121 7.7761 118.9389 58.3849 42.0621 178.8236 19 A 3.9177 8.4971 120.5156 55.3159 18.2954 178.9473 20 L 3.7446 7.9984 118.8325 58.7550 41.9954 178.7662 21 Y 4.1551 7.2913 116.0096 61.2353 37.7872 179.0548 22 R 3.9125 7.7614 118.6108 59.5245 30.3892 178.9937 23 N 4.4690 8.3740 115.7801 55.8684 38.4589 177.4196 24 Q 4.0915 7.8565 119.2231 58.3490 28.9145 178.1436 25 A 4.0798 8.0810 122.0699 55.0809 18.4311 179.7960 26 K 3.9669 8.2021 117.0115 59.8835 32.2776 179.8461 27 S 4.1726 8.0539 114.8847 61.3865 62.5795 176.1360 28 L 4.0891 8.0824 123.5399 57.7082 41.7822 178.5114 29 L 4.0456 7.9920 119.2400 58.3039 41.6914 179.9085 30 T 4.0427 7.8766 114.8297 66.8911 68.6606 176.3405 31 H 4.5564 7.7461 116.1861 58.9249 29.3058 175.7406 32 G 4.3106 8.2198 112.5828 45.5812 0.0000 173.6119 33 R 5.0968 7.8844 117.4863 53.8980 33.2322 175.0814 34 I 4.7460 9.3744 123.7499 59.7537 41.6234 174.3615 35 T 4.9982 8.4882 121.1518 62.4464 70.9020 173.3649 36 T 4.6359 8.4283 120.9773 61.4178 71.1396 172.5417 37 T 4.6271 8.5147 109.8043 60.9817 70.3263 175.3471 38 V 3.5396 7.9284 122.9899 66.1389 31.2397 177.0224 39 P 4.2024 0.0000 0.0000 65.6590 31.2602 178.7436 40 K 4.0369 7.8298 115.4896 59.3605 32.1457 179.0865 41 A 4.1202 8.4971 121.5713 55.1745 18.2572 179.7495 42 K 4.0320 7.7609 115.9612 59.5621 32.5883 178.1716 43 E 4.1761 8.0815 118.7914 58.2912 29.8548 177.7808 44 L 3.9329 8.2961 121.1988 57.9875 41.9452 179.1758 45 R 4.0203 8.0272 115.6247 59.5123 29.1882 178.9485 46 G 3.6615 7.4211 104.3686 47.7434 0.0000 173.9960 47 F 4.1819 8.4789 123.2461 58.9169 39.1514 177.2605 48 V 3.5310 8.4217 116.6573 66.3976 31.9006 177.9310 49 D 4.5301 8.4623 118.3157 58.1547 40.6636 178.8761 50 H 4.0826 7.8187 116.7171 59.3044 29.8357 176.8469 51 L 3.9231 8.3422 121.1288 57.3102 41.7165 178.7530 52 I 3.4232 7.4809 119.0600 64.9074 37.0135 177.4657 53 H 3.8020 7.6789 115.2221 57.0290 29.5279 175.2339 54 L 4.2107 8.1618 121.5693 56.5871 42.8621 178.0837 55 A 2.7788 7.3659 120.0215 53.1699 18.5482 178.1991 56 K 3.8033 7.6897 116.5661 59.0593 32.2891 177.1267 57 R 4.3473 7.2844 116.6626 55.1873 30.9299 176.6162 58 G 4.0317 8.5732 110.3156 46.3715 0.0000 174.0744 59 D 4.5187 8.0412 120.2638 52.9347 41.3198 177.6036 60 L 3.8326 8.4966 122.1213 58.6750 42.2996 178.4480 61 H 4.0634 8.4339 117.5717 59.5764 29.5012 176.3707 62 A 3.9306 8.0534 121.5231 55.3620 17.9986 179.1495 63 R 3.3190 7.9895 116.7794 59.7371 29.6217 178.6415 64 R 4.0883 7.9361 116.7538 58.4451 30.4604 178.6327 65 L 4.0915 7.6909 118.9370 57.8574 41.7223 179.6863 66 V 3.6149 8.1165 118.2075 65.4549 31.2314 177.1498 67 L 4.2382 7.2711 117.1028 56.4765 42.0412 178.6089 68 R 4.0860 7.7517 117.6059 60.0390 30.1991 178.1502 69 D 4.6318 7.9322 116.6584 56.5762 41.4330 177.3000 70 L 4.4440 7.5035 117.7094 54.7648 42.4449 176.8508 71 Q 4.3470 8.1983 116.1987 54.8030 31.2499 174.4050 72 D 4.5673 7.9894 117.1905 53.8327 41.6064 175.9454 73 V 3.5371 8.4069 127.6465 66.1041 31.5528 177.6076 74 K 3.8701 8.0728 118.4195 59.5751 32.3594 178.3174 75 L 3.9904 8.3760 120.5538 58.0605 41.7726 179.2780 76 V 3.6406 8.1956 118.6541 66.0517 31.7021 177.7168 77 R 3.8561 7.9103 118.5226 59.5063 29.5492 178.2263 78 K 3.9387 8.0198 118.8156 59.7837 32.2785 178.0121 79 L 4.0329 7.8356 120.1211 58.1216 41.7196 178.5260 80 F 3.8273 8.8124 118.5864 59.5654 40.5053 176.1959 81 D 5.0103 7.5725 114.8646 50.2337 38.7444 174.2967 82 E 5.0807 7.5402 131.6476 57.9911 31.7129 177.0450 83 I 3.9527 6.6842 119.8775 62.6196 38.2971 178.1363 84 A 3.9390 8.4447 122.8868 55.1239 18.8974 177.9135 85 P 4.2594 0.0000 0.0000 66.1005 31.4186 178.4062 86 R 4.1084 8.1035 113.6268 57.3418 29.6563 176.4275 87 Y 4.9435 8.1070 115.1082 57.4020 40.0430 177.6830 88 R 3.9058 7.6836 119.4292 59.6313 30.1506 176.6841 89 D 4.6294 8.0610 113.5188 54.7077 41.2919 176.1304 90 R 4.4745 8.5996 120.9207 54.9205 31.4684 175.8734 91 Q 4.2358 7.9384 122.8376 54.4354 29.5825 175.1607 92 G 3.7647 8.1256 109.1142 46.2663 0.0000 170.5791 93 G 3.5570 8.1155 104.8946 46.5905 0.0000 174.8237 94 Y 3.6771 7.4828 117.8955 59.7455 38.4930 176.0013 95 T 5.3129 8.0444 112.9765 60.0318 70.9898 172.9896 96 R 4.8497 8.8407 121.1320 54.3197 33.4677 174.2547 97 V 4.9362 8.2302 118.2941 61.2033 34.5166 174.3847 98 L 4.8686 9.1925 127.1198 52.7368 45.4953 175.7898 99 K 4.5446 8.6765 123.0256 56.0459 32.5414 177.0927 100 L 4.4622 8.8179 125.8841 54.1944 42.8674 176.2175 101 A 4.5362 8.3420 122.5915 51.4790 21.0931 172.6066 102 E 3.7707 8.7793 128.0712 55.6570 28.3527 175.1574 103 R 4.3553 8.2077 121.2764 55.0555 31.9745 174.9879 104 R 4.2454 8.1059 117.7584 56.1137 30.6377 176.9551 105 R 4.6822 8.3455 125.8239 53.6450 28.5448 174.7024 106 G 4.1444 7.7701 113.5528 46.0879 0.0000 172.0546 107 D 4.3403 8.7572 115.8367 53.5829 40.7027 176.0189 108 G 3.8520 7.8525 107.1784 46.6079 0.0000 174.0258 109 A 4.7226 7.7678 121.6438 49.3555 21.1987 176.6470 110 P 4.5903 0.0000 0.0000 62.9713 32.8360 175.1779 111 L 5.1466 8.5545 120.8595 53.0414 44.9714 175.1497 112 A 5.1870 9.2727 123.5567 49.9883 23.1206 174.5663 113 L 5.0583 9.3720 122.4364 53.2177 44.9563 175.2751 114 V 5.0484 9.0812 126.8981 61.0917 33.9717 174.1151 115 E 5.2686 8.8209 124.4126 54.3217 33.3999 174.7383 116 L 4.4681 8.2974 121.7807 54.7028 42.2644 177.3886 117 V 3.8344 8.6235 124.0670 62.8522 32.7569 175.6181 118 E 4.7049 8.9426 122.7872 55.7611 30.0883 176.0464 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 *3 H 8.54 4.61 0.00 2.95 3.06 0.00 7.15 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 4 L 7.85 4.32 0.00 1.81 1.86 0.92 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 5 K 9.36 4.50 0.00 1.74 1.63 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.26 0.97 7.81 6 S 7.25 5.40 0.00 3.72 3.82 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 0.00 0.00 0.00 0.00 7 G 6.92 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 R 9.07 4.89 0.00 1.87 1.76 0.00 3.31 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.95 0.00 9 K 8.14 4.05 0.00 1.77 1.66 0.00 1.87 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.37 1.06 7.81 10 L 7.51 5.00 0.00 1.66 1.50 0.92 0.86 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 11 N 8.56 5.06 0.00 2.62 2.74 0.00 0.00 7.00 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 12 R 7.58 4.58 0.00 1.54 1.28 0.00 2.99 0.00 0.00 2.84 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.39 0.00 13 H 8.83 4.39 0.00 3.37 3.44 0.00 5.68 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.15 3.90 0.00 4.06 4.13 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 15 S 8.23 4.02 0.00 4.08 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 0.00 16 H 7.97 3.88 0.00 2.79 3.08 0.00 5.70 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 R 7.93 3.46 0.00 1.98 1.92 0.00 3.19 0.00 0.00 3.10 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 1.21 0.00 18 L 7.78 3.81 0.00 1.94 1.86 1.05 1.14 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 19 A 8.50 3.92 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 20 L 8.00 3.74 0.00 1.57 1.51 0.87 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 21 Y 7.29 4.16 0.00 2.81 1.61 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 22 R 7.76 3.91 0.00 2.03 2.03 0.00 3.18 0.00 0.00 3.40 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.90 0.00 23 N 8.37 4.47 0.00 2.74 2.86 0.00 0.00 7.10 7.07 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 24 Q 7.86 4.09 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.54 0.00 25 A 8.08 4.08 1.57 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 0.00 0.00 26 K 8.20 3.97 0.00 1.98 1.89 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.78 7.81 27 S 8.05 4.17 0.00 4.13 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 28 L 8.08 4.09 0.00 1.93 1.66 0.97 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 29 L 7.99 4.05 0.00 1.84 1.79 1.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 30 T 7.88 4.04 4.21 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 1.02 0.00 0.00 31 H 7.75 4.56 0.00 3.33 3.34 0.00 5.63 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 G 8.22 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 33 R 7.88 5.10 0.00 1.66 1.83 0.00 3.24 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.81 0.00 34 I 9.37 4.75 1.90 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 1.32 0.99 0.93 0.00 0.00 35 T 8.49 5.00 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 36 T 8.43 4.64 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 1.24 0.00 0.00 37 T 8.51 4.63 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 1.21 0.00 0.00 38 V 7.93 3.54 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 1.03 0.00 0.00 0.94 0.00 0.00 39 P 0.00 4.20 0.00 2.21 2.08 0.00 3.63 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 2.11 2.17 0.00 40 K 7.83 4.04 0.00 1.77 1.92 0.00 1.69 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.47 7.81 41 A 8.50 4.12 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 42 K 7.76 4.03 0.00 2.01 1.93 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.79 7.81 43 E 8.08 4.18 0.00 2.11 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 0.00 2.42 2.17 0.00 44 L 8.30 3.93 0.00 1.94 1.85 0.96 0.85 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 45 R 8.03 4.02 0.00 2.08 2.19 0.00 3.02 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.69 0.00 46 G 7.42 3.66 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 0.00 0.00 0.00 47 F 8.48 4.18 0.00 2.86 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 V 8.42 3.53 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 1.11 0.00 0.00 49 D 8.46 4.53 0.00 2.88 2.89 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 50 H 7.82 4.08 0.00 3.00 3.45 0.00 5.94 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 L 8.34 3.92 0.00 1.83 1.59 0.46 0.68 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 52 I 7.48 3.42 0.89 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 1.36 0.97 0.51 0.00 0.00 53 H 7.68 3.80 0.00 2.82 3.16 0.00 5.73 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 L 8.16 4.21 0.00 1.72 1.50 0.85 1.17 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 55 A 7.37 2.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 K 7.69 3.80 0.00 1.49 1.70 0.00 1.73 0.00 0.00 1.66 0.00 0.00 3.64 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.31 1.48 7.81 57 R 7.28 4.35 0.00 1.95 2.14 0.00 3.20 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.49 0.00 58 G 8.57 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 59 D 8.04 4.52 0.00 2.96 2.90 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 60 L 8.50 3.83 0.00 1.73 1.71 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 61 H 8.43 4.06 0.00 3.26 3.36 0.00 5.92 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.05 3.93 1.60 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 0.00 0.00 0.00 0.00 0.00 0.00 63 R 7.99 3.32 0.00 1.06 1.86 0.00 2.82 0.00 0.00 2.95 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.97 0.00 64 R 7.94 4.09 0.00 1.95 1.95 0.00 3.22 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 65 L 7.69 4.09 0.00 1.87 1.66 0.77 0.65 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 66 V 8.12 3.61 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 1.10 0.00 0.00 0.98 0.00 0.00 67 L 7.27 4.24 0.00 1.96 1.78 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 68 R 7.75 4.09 0.00 2.07 2.00 0.00 3.21 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.84 0.00 69 D 7.93 4.63 0.00 2.71 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 70 L 7.50 4.44 0.00 1.80 1.68 0.99 1.03 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 71 Q 8.20 4.35 0.00 1.95 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 7.07 0.00 0.00 0.00 0.00 0.00 2.24 2.40 0.00 72 D 7.99 4.57 0.00 2.79 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 73 V 8.41 3.54 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 0.94 0.00 0.00 0.92 0.00 0.00 74 K 8.07 3.87 0.00 1.98 1.81 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.51 1.56 7.81 75 L 8.38 3.99 0.00 1.97 1.85 0.96 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 76 V 8.20 3.64 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 1.03 0.00 0.00 77 R 7.91 3.86 0.00 2.02 1.95 0.00 3.15 0.00 0.00 3.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 78 K 8.02 3.94 0.00 1.93 2.08 0.00 1.71 0.00 0.00 1.59 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.73 7.81 79 L 7.84 4.03 0.00 2.07 1.97 0.99 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 80 F 8.81 3.83 0.00 2.98 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 81 D 7.57 5.01 0.00 2.82 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 82 E 7.54 5.08 0.00 1.95 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 0.00 2.04 2.11 0.00 83 I 6.68 3.95 1.90 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 0.58 1.03 0.00 0.00 84 A 8.44 3.94 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 85 P 0.00 4.26 0.00 2.13 2.12 0.00 3.55 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.17 0.00 86 R 8.10 4.11 0.00 1.07 1.67 0.00 3.07 0.00 0.00 3.12 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.73 0.00 87 Y 8.11 4.94 0.00 3.11 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 88 R 7.68 3.91 0.00 1.83 1.99 0.00 3.27 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 89 D 8.06 4.63 0.00 2.71 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 90 R 8.60 4.47 0.00 1.86 2.01 0.00 2.92 0.00 0.00 2.98 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.52 0.00 91 Q 7.94 4.24 0.00 1.98 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.49 0.00 0.00 0.00 0.00 0.00 2.23 2.35 0.00 92 G 8.13 3.76 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 0.00 0.00 0.00 93 G 8.12 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 0.00 0.00 0.00 94 Y 7.48 3.68 0.00 3.04 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 0.00 0.00 0.00 0.00 95 T 8.04 5.31 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 1.27 0.00 0.00 96 R 8.84 4.85 0.00 1.88 1.99 0.00 2.96 0.00 0.00 3.10 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.54 0.00 97 V 8.23 4.94 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 0.85 0.00 0.00 0.94 0.00 0.00 98 L 9.19 4.87 0.00 1.54 1.50 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 99 K 8.68 4.54 0.00 1.64 1.76 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.47 7.81 100 L 8.82 4.46 0.00 1.76 1.61 0.92 0.93 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 0.00 101 A 8.34 4.54 1.22 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 0.00 102 E 8.78 3.77 0.00 2.15 2.07 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 2.19 2.28 0.00 103 R 8.21 4.36 0.00 1.92 1.98 0.00 3.02 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 104 R 8.11 4.25 0.00 2.11 1.97 0.00 3.13 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 105 R 8.35 4.68 0.00 1.84 1.88 0.00 3.31 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 106 G 7.77 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 0.00 107 D 8.76 4.34 0.00 2.74 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 0.00 108 G 7.85 3.85 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 0.00 109 A 7.77 4.72 1.33 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 0.00 0.00 0.00 110 P 0.00 4.59 0.00 2.13 2.19 0.00 3.65 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 2.07 2.00 0.00 111 L 8.55 5.15 0.00 1.56 1.58 0.95 0.87 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 0.00 112 A 9.27 5.19 1.22 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 0.00 113 L 9.37 5.06 0.00 1.63 1.64 0.93 0.88 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 0.00 114 V 9.08 5.05 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 0.99 0.00 0.00 0.95 0.00 0.00 115 E 8.82 5.27 0.00 2.09 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 0.00 2.20 2.31 0.00 116 L 8.30 4.47 0.00 1.65 1.84 1.01 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 117 V 8.62 3.83 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 0.77 0.00 0.00 1.02 0.00 0.00 118 E 8.94 4.70 0.00 2.09 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 2.04 2.10 0.00 * Residues marked with a * may have inaccurate shift predictions.