NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.3652 8.2393 119.6954 56.1218 31.7265 175.6669 3 T 3.9355 7.8369 111.0375 60.0402 71.0033 174.1387 4 R 3.4189 8.1584 121.8789 59.7992 30.2736 180.0455 5 S 4.0809 7.5741 112.8945 61.1621 63.1034 175.9728 6 Q 3.7156 7.5782 123.5337 58.7582 28.6698 178.2000 7 V 3.4821 7.5684 119.3315 65.7377 31.5115 178.0303 8 W 4.4296 7.6813 117.9784 59.7673 28.9361 178.2165 9 A 3.4524 7.9510 120.6891 55.2743 17.6326 179.8143 10 Q 3.8850 7.9664 116.3568 58.8618 28.6949 179.0425 11 K 3.9836 8.3557 119.6444 59.2238 31.9935 179.2861 12 A 3.2779 8.2843 121.5989 54.8664 18.1938 178.8967 13 Y 3.3725 7.4768 118.0290 60.6817 38.7052 178.1763 14 E 3.5438 7.8610 120.0177 59.0522 29.7410 178.8471 15 K 3.9903 8.1295 118.7162 59.5177 32.1536 179.5468 16 V 3.7700 8.1068 119.0124 65.8628 31.2784 178.2694 17 R 3.8866 7.7345 115.0627 59.2482 29.3881 178.5203 18 E 3.9945 8.0768 119.0359 59.1336 29.5396 179.0787 19 A 3.7345 7.8899 120.4742 54.7567 17.9935 179.3873 20 A 4.0309 7.8444 118.3493 54.4716 18.4694 179.0052 21 K 4.3233 7.7962 115.4818 56.7017 32.8429 176.6817 22 G 4.0115 7.4609 108.4261 43.4338 0.0000 172.8002 23 E 4.1699 8.4018 116.9523 56.8740 30.7454 176.7474 24 G 3.9454 8.8668 108.5968 46.5291 0.0000 175.5827 25 R 4.1191 8.0290 119.2124 58.9694 29.1450 178.8567 26 G 3.6819 8.1008 106.2221 47.6853 0.0000 175.4463 27 E 4.3288 8.0634 119.6536 59.1157 29.6699 178.1666 28 Y 4.3251 7.9514 119.1417 60.7241 39.1134 177.7818 29 R 4.2353 8.3706 119.6740 59.4269 30.3089 178.4243 30 D 4.4349 7.9846 114.8438 55.5002 40.6168 178.0006 *32 A 4.1961 7.8607 124.0298 52.2449 20.3523 179.0805 33 L 4.1535 8.1682 114.9327 57.2424 42.1685 178.9737 34 K 4.0857 7.9913 119.1159 58.4994 32.0532 178.3084 35 L 3.8425 7.8644 120.4253 57.8795 41.9340 176.9669 36 P 4.1568 0.0000 0.0000 65.5883 31.1507 178.6334 37 V 3.5327 7.6526 116.3445 66.0607 31.5014 177.9284 38 L 3.8486 7.7525 118.6499 57.6354 41.5327 179.6699 39 V 3.5323 7.9118 118.3091 66.0073 31.2414 178.3798 40 R 3.8719 7.7403 116.4352 59.4086 30.0346 178.6462 41 Q 4.1460 8.1790 116.2184 57.6705 29.0889 176.8197 42 A 4.3333 8.3318 121.2338 51.6660 20.4052 177.9180 43 G 4.0504 7.9279 101.7056 45.2490 0.0000 174.1965 44 L 3.7996 8.5131 121.0059 58.1696 41.9914 179.1048 45 S 4.1595 8.7335 113.1589 61.8878 62.3761 176.4463 46 Q 4.0304 8.1404 119.6842 58.7695 28.5765 178.3842 47 A 3.9932 8.2746 122.0497 55.2688 18.4349 179.7278 48 L 3.9313 8.2870 117.6064 57.8738 41.5392 179.6732 49 A 4.0099 8.1676 120.8352 54.7682 18.0223 179.5724 50 F 4.0015 7.9815 118.6303 61.4035 39.8451 177.2139 51 V 3.5660 7.7723 117.7432 66.1275 31.1507 177.5439 52 D 4.3770 8.0814 116.4058 56.4468 41.0509 177.2007 53 S 4.4893 7.1419 112.3757 57.3541 63.7994 174.4996 54 R 3.9106 7.1382 122.0876 56.4064 30.3439 176.8745 55 G 3.7960 8.3882 109.3619 46.5326 0.0000 174.2143 56 K 4.2269 7.7504 120.3911 55.3762 33.2440 176.9843 57 E 3.8939 9.0892 124.2439 59.6777 29.2002 179.0102 58 A 4.1310 7.9994 119.9085 55.3927 18.0216 179.2786 59 H 4.2946 8.0284 114.6030 58.9786 28.8243 177.9325 60 K 3.7342 8.0473 120.7823 59.2775 32.0727 178.3974 61 A 4.0595 8.2949 121.3756 55.0491 18.1950 179.1857 62 L 3.6397 7.6063 117.5591 58.1348 42.0534 179.4658 63 G 3.4926 7.3435 105.0858 47.9939 0.0000 175.4425 64 N 4.4732 8.1211 119.3734 55.8610 38.4514 177.2676 65 D 4.4894 8.5764 120.7708 57.3772 41.0105 178.6085 66 L 3.9880 7.8420 120.6392 58.1861 41.9528 178.8333 67 A 4.0915 8.0207 120.6374 55.3473 18.1892 179.6942 68 Q 4.6517 8.2531 117.9826 58.6090 28.5899 178.8238 69 V 3.7822 8.1011 118.7502 65.9970 31.6893 177.3623 70 L 4.3906 7.9305 115.9194 55.2720 41.7288 177.7218 71 G 3.9126 8.4795 108.2167 45.3125 0.0000 173.2325 72 Y 4.5650 8.1799 117.9236 56.1933 39.6344 176.8500 73 R 3.9044 10.0534 123.6951 59.2327 30.5598 175.8055 74 D 4.5162 7.6240 114.4209 51.3845 41.9358 175.4534 75 L 3.8707 9.2944 120.4024 58.6455 41.7472 179.1647 76 R 3.8934 8.0198 117.2767 59.3152 30.0359 178.5086 77 E 3.9439 8.6534 119.0453 59.0843 29.6890 178.5342 78 L 2.9145 7.6621 119.8440 57.7865 42.0728 178.7592 79 A 3.9262 8.2203 121.0980 55.1254 18.2932 179.2701 80 E 3.8392 8.2363 117.5770 59.3706 29.7737 178.8230 81 A 4.0411 8.1359 120.6509 55.1549 18.1452 179.5237 82 A 4.0858 7.7652 118.5673 55.4169 18.5474 179.8358 83 R 4.0331 7.7995 115.7828 59.1507 30.2056 178.5804 84 E 4.1856 8.2664 117.0425 57.1069 30.0644 177.2395 85 A 4.0867 7.3135 121.5951 52.3172 19.0195 177.8022 86 E 4.3154 8.6194 121.7423 55.0921 31.8573 177.8095 87 L 3.9660 8.4974 120.9698 58.9486 41.7870 178.9967 88 L 4.0389 7.9281 117.8241 58.0470 41.6541 179.4933 89 Q 4.0392 8.1143 117.4866 59.0535 28.6635 178.0455 90 Y 4.0962 8.3362 120.9378 60.6647 38.8394 177.9967 91 L 3.9746 8.3278 120.1585 57.5570 41.7042 179.4546 92 R 3.8909 8.3017 119.0353 59.3189 29.9884 178.3076 93 L 3.9501 8.3357 120.6071 58.3122 41.9407 178.9508 94 T 3.6254 7.7496 115.6980 66.7184 68.3896 176.6060 95 R 3.8887 7.8717 119.7325 59.3018 30.0308 179.0477 96 E 3.7961 8.1298 118.2202 59.3601 29.5139 179.5869 97 V 3.3600 7.8392 118.5389 65.7907 31.4939 177.7451 98 L 3.8771 8.0817 120.0818 58.0288 41.7464 178.8405 99 A 3.9087 8.1271 120.4902 55.0995 18.3888 179.4913 100 A 4.2564 8.0886 119.2223 55.2750 18.3593 179.6158 101 A 4.0640 8.5597 119.6558 55.5826 18.4034 179.6463 102 E 3.8208 8.3732 117.1068 59.3638 29.3300 179.7928 103 W 4.4144 7.9167 119.0080 59.7921 29.1276 178.5136 104 F 4.2173 8.6256 117.8489 60.4263 38.4026 177.5519 105 K 3.9997 8.5853 119.4086 59.6825 32.0297 178.9436 106 R 3.8673 8.3136 118.5596 59.5100 30.0059 179.2179 107 F 4.3777 8.6389 117.2397 60.1234 38.8160 177.7666 108 A 4.2346 8.5289 121.0732 55.2757 17.9762 179.6819 109 Q 3.9660 8.1904 115.5924 58.8503 28.8335 178.2637 110 A 4.3236 7.8788 120.2832 53.6960 19.0054 178.5334 111 L 4.7944 8.2363 115.5271 53.7268 43.1663 176.4478 112 I 4.4745 7.6107 119.7708 58.9731 38.8079 175.3416 113 E 4.1846 8.8388 122.6880 56.5345 29.5551 176.7119 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 R 8.24 4.37 0.00 1.73 1.83 0.00 3.13 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.57 0.00 3 T 7.84 3.94 4.16 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 1.16 0.00 0.00 4 R 8.16 3.42 0.00 1.60 1.54 0.00 3.16 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.22 0.00 5 S 7.57 4.08 0.00 4.45 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 0.00 6 Q 7.58 3.72 0.00 1.99 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.84 0.00 0.00 0.00 0.00 0.00 2.24 2.21 0.00 7 V 7.57 3.48 1.96 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 1.02 0.00 0.00 0.86 0.00 0.00 8 W 7.68 4.43 0.00 3.75 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 9 A 7.95 3.45 0.14 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 10 Q 7.97 3.89 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.76 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 11 K 8.36 3.98 0.00 2.01 1.92 0.00 1.82 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.49 1.59 7.81 12 A 8.28 3.28 0.98 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 13 Y 7.48 3.37 0.00 1.73 2.67 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 14 E 7.86 3.54 0.00 1.90 1.96 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 2.30 2.17 0.00 15 K 8.13 3.99 0.00 2.10 2.21 0.00 1.90 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.78 1.91 7.81 16 V 8.11 3.77 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 1.31 0.00 0.00 1.29 0.00 0.00 17 R 7.73 3.89 0.00 1.81 1.69 0.00 2.43 0.00 0.00 2.87 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.43 0.00 18 E 8.08 3.99 0.00 2.14 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 2.25 2.32 0.00 19 A 7.89 3.73 0.35 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 20 A 7.84 4.03 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.80 4.32 0.00 1.88 1.83 0.00 1.54 0.00 0.00 1.92 0.00 0.00 3.07 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.45 7.81 22 G 7.46 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 0.00 0.00 0.00 23 E 8.40 4.17 0.00 2.09 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 2.25 2.30 0.00 24 G 8.87 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 0.00 0.00 0.00 25 R 8.03 4.12 0.00 2.07 2.35 0.00 2.99 0.00 0.00 3.47 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.75 0.00 26 G 8.10 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 0.00 0.00 0.00 27 E 8.06 4.33 0.00 2.08 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 2.33 2.38 0.00 28 Y 7.95 4.33 0.00 2.99 3.25 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 29 R 8.37 4.24 0.00 2.10 2.24 0.00 3.39 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.76 0.00 30 D 7.98 4.43 0.00 3.01 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 *32 A 7.86 4.20 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 33 L 8.17 4.15 0.00 1.77 1.74 1.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 34 K 7.99 4.09 0.00 1.87 1.83 0.00 1.36 0.00 0.00 1.48 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.32 1.36 7.81 35 L 7.86 3.84 0.00 1.71 1.59 0.87 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.16 0.00 2.14 2.18 0.00 3.78 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.12 0.00 37 V 7.65 3.53 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 1.09 0.00 0.00 0.88 0.00 0.00 38 L 7.75 3.85 0.00 1.78 1.57 0.49 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 39 V 7.91 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 0.95 0.00 0.00 0.91 0.00 0.00 40 R 7.74 3.87 0.00 1.93 1.94 0.00 3.17 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.75 0.00 41 Q 8.18 4.15 0.00 1.94 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.56 0.00 42 A 8.33 4.33 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 43 G 7.93 4.05 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 0.00 0.00 0.00 44 L 8.51 3.80 0.00 1.47 1.31 0.78 0.40 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 45 S 8.73 4.16 0.00 4.09 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 46 Q 8.14 4.03 0.00 2.42 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.47 2.45 0.00 47 A 8.27 3.99 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 48 L 8.29 3.93 0.00 1.81 1.69 0.83 0.76 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 49 A 8.17 4.01 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 50 F 7.98 4.00 0.00 3.03 3.29 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 51 V 7.77 3.57 2.17 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 0.86 0.00 0.00 1.04 0.00 0.00 52 D 8.08 4.38 0.00 2.65 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.14 4.49 0.00 3.93 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 54 R 7.14 3.91 0.00 1.82 1.82 0.00 2.54 0.00 0.00 2.89 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.44 0.00 55 G 8.39 3.80 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 0.00 0.00 0.00 56 K 7.75 4.23 0.00 1.66 1.60 0.00 1.58 0.00 0.00 2.03 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.38 7.81 57 E 9.09 3.89 0.00 1.99 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.34 0.00 58 A 8.00 4.13 1.42 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 59 H 8.03 4.29 0.00 3.32 3.25 0.00 5.64 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 K 8.05 3.73 0.00 1.83 1.95 0.00 1.57 0.00 0.00 1.89 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.55 7.81 61 A 8.29 4.06 1.58 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 0.00 0.00 0.00 0.00 0.00 0.00 62 L 7.61 3.64 0.00 1.10 1.59 0.59 0.26 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 63 G 7.34 3.49 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 64 N 8.12 4.47 0.00 2.79 2.91 0.00 0.00 7.09 8.24 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 65 D 8.58 4.49 0.00 2.95 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 66 L 7.84 3.99 0.00 0.98 1.53 0.77 1.23 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 67 A 8.02 4.09 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 Q 8.25 4.65 0.00 2.38 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.73 0.00 0.00 0.00 0.00 0.00 2.60 2.41 0.00 69 V 8.10 3.78 2.54 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 1.09 0.00 0.00 1.27 0.00 0.00 70 L 7.93 4.39 0.00 2.05 1.87 0.80 0.09 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 71 G 8.48 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 72 Y 8.18 4.56 0.00 3.20 2.99 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 73 R 10.05 3.90 0.00 1.81 2.03 0.00 3.32 0.00 0.00 3.31 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.61 0.00 74 D 7.62 4.52 0.00 3.15 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 75 L 9.29 3.87 0.00 1.75 1.74 0.84 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 76 R 8.02 3.89 0.00 2.08 1.97 0.00 3.18 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 77 E 8.65 3.94 0.00 2.11 2.17 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 2.55 2.42 0.00 78 L 7.66 2.91 0.00 1.26 1.55 0.29 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 79 A 8.22 3.93 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 80 E 8.24 3.84 0.00 2.19 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 0.00 2.32 2.47 0.00 81 A 8.14 4.04 1.40 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 82 A 7.77 4.09 1.40 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 83 R 7.80 4.03 0.00 1.95 2.00 0.00 3.16 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.97 0.00 84 E 8.27 4.19 0.00 1.98 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 2.34 2.56 0.00 85 A 7.31 4.09 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.62 4.32 0.00 2.29 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.32 0.00 87 L 8.50 3.97 0.00 1.75 1.72 0.96 0.57 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 88 L 7.93 4.04 0.00 1.77 1.74 0.95 1.11 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 89 Q 8.11 4.04 0.00 2.37 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.91 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 90 Y 8.34 4.10 0.00 3.15 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 91 L 8.33 3.97 0.00 1.91 1.72 0.97 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 92 R 8.30 3.89 0.00 1.95 2.16 0.00 3.17 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 93 L 8.34 3.95 0.00 1.84 1.64 0.95 0.70 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 94 T 7.75 3.63 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 1.10 0.00 0.00 95 R 7.87 3.89 0.00 2.07 2.02 0.00 3.16 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.89 0.00 96 E 8.13 3.80 0.00 2.10 1.65 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 0.00 2.70 2.57 0.00 97 V 7.84 3.36 1.93 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 0.73 0.00 0.00 0.80 0.00 0.00 98 L 8.08 3.88 0.00 1.79 1.80 0.86 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 99 A 8.13 3.91 1.59 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 0.00 100 A 8.09 4.26 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 0.00 101 A 8.56 4.06 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 0.00 102 E 8.37 3.82 0.00 1.78 1.65 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 0.00 2.45 2.32 0.00 103 W 7.92 4.41 0.00 3.66 3.38 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.63 4.22 0.00 3.37 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 0.00 105 K 8.59 4.00 0.00 2.00 2.03 0.00 1.62 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.50 7.81 106 R 8.31 3.87 0.00 1.93 1.74 0.00 2.63 0.00 0.00 2.82 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.62 0.00 107 F 8.64 4.38 0.00 3.34 3.27 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 0.00 108 A 8.53 4.23 1.59 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 0.00 109 Q 8.19 3.97 0.00 2.26 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.91 0.00 0.00 0.00 0.00 0.00 2.56 2.53 0.00 110 A 7.88 4.32 1.36 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 0.00 0.00 0.00 111 L 8.24 4.79 0.00 1.84 1.83 1.21 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 112 I 7.61 4.47 2.13 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.73 1.03 0.00 0.00 113 E 8.84 4.18 0.00 2.10 1.97 0.00 0.00 0.00 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 2.27 0.00 * Residues marked with a * may have inaccurate shift predictions.