NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 N 4.7121 8.2714 118.2132 52.3569 39.0414 174.7668 12 G 3.4465 8.4676 104.0720 47.0255 0.0000 170.7296 13 V 3.6299 8.0084 120.3617 65.9724 32.0371 175.4652 14 H 4.1476 8.7918 118.1851 59.6336 29.6381 176.4750 15 D 4.3127 7.9624 119.7564 57.5602 40.4764 178.7489 16 F 4.0744 8.3032 120.6974 61.6584 39.3091 177.3057 17 I 3.8865 8.1215 119.2169 64.2818 36.9542 178.4366 18 L 4.0530 8.1275 120.0587 57.5701 41.3704 179.6260 19 V 3.5640 7.8446 118.3395 66.1643 31.4221 178.3887 20 R 3.9030 7.5534 116.1563 58.8118 30.0337 178.7377 21 A 3.9938 8.4046 121.3662 55.5333 18.4524 179.8832 22 T 3.9258 8.0821 108.0650 64.6971 68.8911 176.6091 23 A 3.9686 8.0962 123.6894 55.0028 18.3900 179.5907 24 I 3.6416 7.7630 118.1684 64.5919 37.2430 178.6822 25 V 3.7231 7.6859 118.6038 66.3015 31.2661 178.1127 26 L 4.1344 8.5512 118.9446 57.9382 41.4118 179.5590 27 T 3.9200 8.4649 116.3020 66.7302 68.3391 176.6332 28 L 4.1623 8.1754 120.8691 57.8151 41.6297 178.8577 29 Y 3.1507 8.2360 119.5047 60.5157 38.6863 178.1894 30 I 3.6082 8.0628 120.8513 64.5053 37.1596 178.3091 31 I 3.6974 7.8711 120.4836 64.5619 36.9444 177.6550 32 Y 4.1898 8.2125 120.2609 61.0945 38.6444 178.2314 33 M 3.8523 8.1420 119.6688 58.3465 32.0895 178.6490 34 V 3.7946 8.4190 118.8210 66.2094 31.3975 177.9382 35 G 3.7495 8.0096 104.0220 47.9789 0.0000 174.7958 36 F 3.9666 7.8146 123.0214 61.0370 39.0355 177.0538 37 F 3.7376 7.8866 115.7458 60.4328 38.8756 177.0943 38 A 4.2793 8.2686 118.4302 53.4166 18.4660 177.7558 39 T 4.4967 7.2202 104.5196 60.6884 70.1629 175.2052 40 S 3.8855 7.7153 117.6857 59.2292 64.1827 176.1998 41 G 3.6604 7.5054 108.6234 45.2433 0.0000 173.5417 42 E 3.7532 8.8078 123.4730 57.1135 29.6865 177.8403 43 L 4.3634 8.2159 128.3056 54.0437 40.8415 176.3299 44 T 4.4469 7.6169 113.7149 60.3412 71.9550 174.9522 45 Y 4.3697 8.6409 122.4546 61.1133 38.8015 177.9104 46 E 3.8120 8.4016 119.5618 59.6427 29.6762 179.1504 47 V 3.8151 7.8466 111.7395 63.7172 31.7477 178.4951 48 W 4.4978 8.4271 128.4151 60.7803 30.7194 178.0002 49 I 3.6920 8.3667 119.1364 63.6528 37.4017 177.8810 50 G 3.6759 8.0162 106.8734 47.9712 0.0000 175.4458 51 F 4.0149 8.0701 122.0826 60.3699 39.3733 176.4428 52 F 3.7859 7.4716 114.1500 58.0500 39.0705 177.2343 53 A 4.0881 7.6177 120.7015 53.4724 18.8216 178.1629 54 S 3.9982 7.0496 112.0439 58.1408 63.2380 174.6904 55 A 3.9525 8.8324 129.4168 55.3466 18.0329 179.3897 56 F 3.8084 8.1649 118.4111 61.8481 39.5041 177.4076 57 T 3.7667 7.6852 114.7386 66.2698 68.0764 176.8708 58 K 3.8321 7.9077 120.3706 59.4011 32.1464 179.4929 59 V 3.3965 7.6106 118.1833 66.0027 31.4132 177.5735 60 F 4.1780 7.7698 120.2680 61.8311 39.0553 177.2697 61 T 3.4768 8.0601 115.1085 66.5587 68.2887 176.7887 62 L 3.8341 7.8837 120.9331 57.4109 41.5475 179.2192 63 L 4.0443 8.5025 120.5526 58.1310 41.9864 178.8976 64 A 3.8561 8.0173 120.8987 55.1227 18.1543 179.6474 65 L 3.9406 7.7126 117.4736 57.7647 41.6524 179.6263 66 F 4.0608 8.2619 117.7531 60.8875 38.9019 177.9319 67 S 4.2764 8.3917 114.6102 61.6552 62.4879 176.8955 68 I 3.8219 8.3120 123.0712 64.1238 36.9007 178.0807 69 L 4.0555 7.9523 121.2436 58.3090 42.0545 179.2392 70 I 3.8381 7.9453 119.5118 64.7158 37.2831 177.9213 71 H 4.1324 8.7496 119.1930 59.4299 29.7822 177.2266 72 A 4.1632 8.9494 123.2872 54.5404 18.1124 179.3850 73 W 4.4636 8.3086 126.9726 60.9029 30.9868 178.1441 74 I 3.3746 7.6854 119.3687 64.2128 36.6266 178.6941 75 G 3.5649 7.8742 105.9817 48.2482 0.0000 175.7813 76 M 4.1453 8.5312 121.9533 57.5084 31.8846 178.7041 77 W 3.6444 7.9541 129.0216 60.2699 30.4523 178.1355 78 Q 3.7166 7.7101 118.2376 58.0755 28.3925 178.4083 79 V 3.4540 7.5080 119.0972 66.0011 31.5511 178.1969 80 L 4.0054 7.8859 119.0393 57.4681 41.6039 178.6451 81 T 3.9161 7.1872 107.7331 62.5099 68.6383 175.8587 82 D 4.2869 7.0371 121.3213 55.9176 41.6751 176.6852 83 Y 4.7179 7.3992 113.3361 57.6410 39.5219 175.7261 84 V 4.2609 7.6654 119.3219 60.8696 31.8622 174.8827 85 K 4.1339 8.5013 126.5014 58.2073 32.7937 177.3205 86 P 4.3585 0.0000 0.0000 61.9568 32.3555 176.7706 87 L 3.8824 8.5662 124.4562 58.2554 42.2767 178.7058 88 A 3.9929 8.0357 120.1976 55.2805 18.3045 179.1916 89 L 3.9204 7.8666 118.1795 58.1317 42.1442 179.0212 90 R 3.8852 7.9815 118.6057 59.4485 30.0566 178.3448 91 L 4.2284 8.2063 119.0667 58.2940 41.6120 179.4391 92 M 4.0916 8.1074 118.4176 58.5422 31.8939 178.8872 93 L 4.0538 8.1412 119.0151 57.8724 41.7532 179.6377 94 Q 4.3419 8.5400 118.5035 58.7269 28.6062 178.2996 95 L 3.8390 8.3597 121.8785 58.2133 42.0618 179.1429 96 V 3.5489 7.9221 118.0412 66.1752 31.4238 178.0424 97 I 3.7131 7.9472 119.4202 64.3354 36.9170 178.6871 98 V 3.3242 8.1313 119.4695 65.7864 31.3364 178.0276 99 V 3.4367 7.8469 117.9947 66.0045 31.2328 177.6427 100 A 3.7102 8.0694 120.5641 55.2313 18.2879 179.6713 101 L 3.5830 7.7213 117.3235 57.7139 41.5910 179.9507 102 V 3.5101 7.9912 118.6743 65.9319 31.4779 178.2526 103 V 3.5926 8.1953 118.3970 66.0228 31.3175 177.4220 104 Y 4.4695 8.1167 116.9888 61.3580 37.7835 178.9896 105 V 3.5486 7.7212 118.4391 66.0569 31.5941 178.1604 106 I 3.8056 8.0486 119.6744 64.6256 37.0103 177.7151 107 Y 4.3678 8.7717 120.9417 60.5752 38.4576 178.1869 108 G 3.6531 8.2521 106.6586 48.1072 0.0000 175.3948 109 F 3.9521 8.2503 120.7688 60.2226 38.7096 178.0827 110 V 3.6282 7.6949 116.7580 65.7365 31.1223 178.0915 111 V 3.5439 7.5778 118.0944 66.0234 31.4699 178.5642 112 V 3.6734 8.0661 114.8970 64.5668 31.1599 179.2159 *113 W 4.1996 8.0732 122.1525 60.9593 28.1426 180.4090 114 G 4.0460 7.4297 101.6830 45.4426 0.0000 173.9342 115 V 3.9237 7.5013 125.8440 62.8401 31.5439 175.2284 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 11 N 8.27 4.71 0.00 2.96 3.05 0.00 0.00 6.01 6.12 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 12 G 8.47 3.45 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 8.01 3.63 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 1.05 0.00 0.00 0.89 0.00 0.00 14 H 8.79 4.15 0.00 3.34 3.43 0.00 5.68 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 15 D 7.96 4.31 0.00 2.92 2.70 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 0.00 0.00 0.00 0.00 16 F 8.30 4.07 0.00 3.26 3.26 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 17 I 8.12 3.89 2.05 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.75 0.94 0.00 0.00 18 L 8.13 4.05 0.00 1.77 1.70 0.74 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 19 V 7.84 3.56 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 0.88 0.00 0.00 0.90 0.00 0.00 20 R 7.55 3.90 0.00 1.77 1.86 0.00 2.39 0.00 0.00 2.68 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.39 0.00 21 A 8.40 3.99 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 22 T 8.08 3.93 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 1.30 0.00 0.00 23 A 8.10 3.97 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.76 3.64 2.06 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 1.43 0.88 0.96 0.00 0.00 25 V 7.69 3.72 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 1.16 0.00 0.00 0.97 0.00 0.00 26 L 8.55 4.13 0.00 1.75 1.74 0.88 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 27 T 8.46 3.92 4.45 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 0.00 0.00 0.00 1.26 0.00 0.00 28 L 8.18 4.16 0.00 2.20 2.08 1.03 0.77 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 29 Y 8.24 3.15 0.00 2.70 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 30 I 8.06 3.61 2.04 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 1.58 0.68 0.93 0.00 0.00 31 I 7.87 3.70 2.12 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.81 0.99 0.00 0.00 32 Y 8.21 4.19 0.00 3.18 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 33 M 8.14 3.85 0.00 2.15 1.94 0.00 0.00 0.00 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.73 0.00 34 V 8.42 3.79 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 1.06 0.00 0.00 0.96 0.00 0.00 35 G 8.01 3.75 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 0.00 0.00 0.00 36 F 7.81 3.97 0.00 2.21 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 0.00 0.00 0.00 0.00 37 F 7.89 3.74 0.00 3.17 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 38 A 8.27 4.28 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 39 T 7.22 4.50 4.15 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 1.19 0.00 0.00 40 S 7.72 3.89 0.00 3.37 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 41 G 7.51 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 42 E 8.81 3.75 0.00 1.96 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 2.32 2.28 0.00 43 L 8.22 4.36 0.00 1.56 1.56 0.97 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 44 T 7.62 4.45 4.34 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 1.26 0.00 0.00 45 Y 8.64 4.37 0.00 3.11 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 46 E 8.40 3.81 0.00 2.14 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 0.00 2.40 2.42 0.00 47 V 7.85 3.82 2.22 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 0.75 0.00 0.00 1.26 0.00 0.00 48 W 8.43 4.50 0.00 3.62 3.37 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 49 I 8.37 3.69 1.39 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 1.34 1.08 0.70 0.00 0.00 50 G 8.02 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 51 F 8.07 4.01 0.00 2.35 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 52 F 7.47 3.79 0.00 2.70 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 53 A 7.62 4.09 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 54 S 7.05 4.00 0.00 3.93 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 55 A 8.83 3.95 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 56 F 8.16 3.81 0.00 3.11 3.07 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 0.00 57 T 7.69 3.77 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 -0.04 0.00 0.00 58 K 7.91 3.83 0.00 1.84 1.74 0.00 1.60 0.00 0.00 1.51 0.00 0.00 2.94 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.38 1.56 7.81 59 V 7.61 3.40 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 0.60 0.00 0.00 0.87 0.00 0.00 60 F 7.77 4.18 0.00 2.66 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 61 T 8.06 3.48 4.38 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 1.25 0.00 0.00 62 L 7.88 3.83 0.00 1.48 1.41 0.37 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.50 4.04 0.00 1.74 1.97 0.90 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 64 A 8.02 3.86 0.51 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 0.00 0.00 65 L 7.71 3.94 0.00 1.73 1.64 0.85 1.11 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 66 F 8.26 4.06 0.00 3.29 3.14 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 67 S 8.39 4.28 0.00 4.06 3.97 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 0.00 0.00 0.00 68 I 8.31 3.82 2.08 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 1.46 0.98 1.08 0.00 0.00 69 L 7.95 4.06 0.00 1.79 2.01 0.89 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 70 I 7.95 3.84 1.98 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.18 0.98 0.00 0.00 71 H 8.75 4.13 0.00 3.31 3.41 0.00 5.78 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 72 A 8.95 4.16 1.53 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 0.00 0.00 73 W 8.31 4.46 0.00 3.53 3.26 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 74 I 7.69 3.37 1.79 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 1.30 0.87 0.84 0.00 0.00 75 G 7.87 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 76 M 8.53 4.15 0.00 2.08 2.29 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.94 0.00 77 W 7.95 3.64 0.00 1.80 2.72 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 78 Q 7.71 3.72 0.00 2.22 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.72 0.00 0.00 0.00 0.00 0.00 2.59 2.64 0.00 79 V 7.51 3.45 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 1.16 0.00 0.00 0.96 0.00 0.00 80 L 7.89 4.01 0.00 1.49 1.58 1.00 0.64 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 81 T 7.19 3.92 3.64 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 0.12 0.00 0.00 82 D 7.04 4.29 0.00 1.79 1.78 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 83 Y 7.40 4.72 0.00 2.92 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 84 V 7.67 4.26 2.16 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 0.81 0.00 0.00 0.97 0.00 0.00 85 K 8.50 4.13 0.00 1.78 1.83 0.00 1.79 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.43 1.39 7.81 86 P 0.00 4.36 0.00 2.16 1.98 0.00 3.60 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 87 L 8.57 3.88 0.00 1.76 1.67 0.95 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 88 A 8.04 3.99 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 89 L 7.87 3.92 0.00 1.78 1.83 0.94 0.87 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 90 R 7.98 3.89 0.00 2.06 2.03 0.00 2.96 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 91 L 8.21 4.23 0.00 1.75 1.76 0.97 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 92 M 8.11 4.09 0.00 2.06 2.33 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.89 0.00 93 L 8.14 4.05 0.00 1.92 1.78 0.95 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 94 Q 8.54 4.34 0.00 2.47 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.78 0.00 0.00 0.00 0.00 0.00 3.04 2.62 0.00 95 L 8.36 3.84 0.00 1.72 1.89 0.87 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 96 V 7.92 3.55 2.23 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 1.07 0.00 0.00 0.99 0.00 0.00 97 I 7.95 3.71 2.23 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.59 1.20 0.00 0.00 98 V 8.13 3.32 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 0.70 0.00 0.00 -0.25 0.00 0.00 99 V 7.85 3.44 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 0.79 0.00 0.00 0.91 0.00 0.00 100 A 8.07 3.71 1.08 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 0.00 0.00 0.00 0.00 0.00 101 L 7.72 3.58 0.00 1.75 1.72 1.16 0.82 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 0.00 102 V 7.99 3.51 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 1.01 0.00 0.00 0.85 0.00 0.00 103 V 8.20 3.59 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 0.91 0.00 0.00 0.92 0.00 0.00 104 Y 8.12 4.47 0.00 3.17 2.92 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 0.00 0.00 0.00 105 V 7.72 3.55 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 0.62 0.00 0.00 0.61 0.00 0.00 106 I 8.05 3.81 1.93 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 1.36 0.56 0.94 0.00 0.00 107 Y 8.77 4.37 0.00 3.08 3.10 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 0.00 0.00 0.00 108 G 8.25 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 109 F 8.25 3.95 0.00 3.33 3.10 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 0.00 0.00 0.00 110 V 7.69 3.63 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 0.79 0.00 0.00 1.00 0.00 0.00 111 V 7.58 3.54 1.89 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 0.76 0.00 0.00 0.28 0.00 0.00 112 V 8.07 3.67 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 0.77 0.00 0.00 0.82 0.00 0.00 *113 W 8.07 4.20 0.00 2.60 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 0.00 0.00 0.00 0.00 114 G 7.43 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 0.00 115 V 7.50 3.92 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 0.72 0.00 0.00 0.89 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.