NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 K 4.3205 8.2993 120.0039 56.9281 34.0225 175.3637 12 F 4.3507 9.0859 115.2077 54.9438 38.4230 179.2671 13 R 3.0851 9.2415 114.9603 53.6419 32.3123 177.0699 14 V 2.9983 5.6111 119.9717 59.6362 32.6965 172.7379 15 R 3.4873 7.2295 114.6381 57.1408 29.0221 178.0777 16 N 4.4481 7.8680 119.9346 56.0604 38.2229 177.2141 17 R 3.1968 8.0669 115.8168 59.1240 29.2394 177.8106 18 I 3.8577 7.1772 116.5199 62.8029 37.0143 176.1617 19 K 4.3136 8.6450 122.4906 56.1361 31.9311 176.0030 20 R 4.1978 7.7273 117.5443 55.9196 30.5305 176.5936 21 T 4.1734 7.4627 117.9542 64.8946 70.7138 173.3320 22 G 4.9341 9.7087 127.0700 45.3669 0.0000 170.4635 23 R 3.3082 8.3853 120.2612 56.3676 29.3968 173.9940 24 L 4.2034 8.5840 120.1725 54.0411 40.3941 173.7211 25 R 4.5597 8.1371 118.9156 54.2505 32.7762 174.7594 26 L 4.5687 7.6710 123.8114 53.8017 41.0648 176.0229 27 S 4.2524 8.0240 122.8238 58.3212 64.6969 172.2209 28 V 4.2724 6.9996 118.5109 64.5166 33.1641 172.1635 29 F 5.2911 8.0997 127.2323 58.6631 41.5582 173.4748 30 R 4.7322 8.9268 129.5199 54.6082 29.6764 174.9122 31 S 4.8164 8.1718 118.2675 56.4731 63.6688 173.9985 32 L 4.2051 8.6507 123.3232 57.3352 42.8036 178.7388 33 K 4.0407 8.2603 115.1359 57.3659 31.3147 177.9702 34 H 4.2596 9.0925 120.3062 56.7850 30.8284 175.1463 35 I 4.7679 7.7244 120.1552 57.7320 37.5557 174.7417 36 Y 4.4008 8.7008 122.6268 58.5744 38.6945 175.6947 37 A 5.7522 7.9971 130.1277 53.7717 17.8848 176.0946 38 Q 4.4880 7.6171 120.3156 54.8439 31.5595 175.6527 39 I 5.0771 8.0062 119.3672 60.4191 41.4767 174.7214 40 I 4.5716 8.3529 117.9272 60.3138 41.7737 172.5531 41 D 4.9287 8.3489 120.2221 53.1094 44.5898 175.3375 42 D 4.9689 8.6192 125.4905 54.0637 43.1386 175.1060 43 E 4.2051 8.8569 124.2399 57.3528 29.2744 175.5127 44 K 4.1875 7.4322 115.3393 56.5685 33.0603 177.2288 45 G 3.9433 7.8239 105.6416 46.8690 0.0000 172.8233 46 V 4.5788 7.3702 121.1441 61.5662 33.8221 174.4060 47 T 4.6131 8.0153 115.4526 62.5832 70.0676 174.2138 48 L 4.1004 8.3959 126.5669 56.4197 42.6083 177.6506 49 V 4.3863 7.0200 119.7745 63.4957 34.4471 174.2088 50 S 4.9285 8.4298 114.1498 58.6951 64.6972 177.6662 51 A 4.1761 8.3037 118.1241 52.2392 20.3353 176.1198 52 S 4.5180 8.4250 124.2833 58.8485 65.9468 172.5910 53 S 4.5037 8.4014 116.6444 59.5328 61.9353 176.8463 54 L 3.7398 8.8828 123.6880 57.8373 42.5336 176.9948 55 A 4.1038 7.4179 117.6963 53.0572 18.1909 176.8862 56 L 4.5011 7.8038 118.3547 54.1766 42.4829 176.8954 57 K 3.6486 8.5162 114.8321 56.3095 31.4270 174.6973 58 L 4.1534 7.5689 118.5604 54.4486 42.6628 175.6387 59 K 3.9741 8.0412 122.7268 55.9102 33.5493 176.1368 60 G 4.1025 8.2749 109.8648 44.2132 0.0000 170.4395 61 N 5.0893 7.5996 116.6910 52.1270 43.0388 173.1863 62 K 4.4240 9.5238 118.9261 56.5373 33.5989 176.7321 63 T 4.2149 7.3338 108.1951 61.5850 70.3528 176.4718 64 E 3.7778 8.0508 120.7368 58.6928 30.6920 179.8211 65 V 3.7161 8.3398 118.9422 65.6582 31.3782 177.2851 66 A 3.9802 8.1627 120.0579 56.2486 18.1739 179.2200 67 R 3.7342 7.7915 114.4249 60.7131 29.8080 178.5084 68 Q 3.9168 8.2386 116.1254 59.6630 28.7233 179.4889 69 V 3.7385 8.0933 123.1268 65.1723 31.6078 177.7629 70 G 3.7998 8.1131 107.1425 46.1735 0.0000 175.7697 71 R 3.9006 8.9165 119.8450 58.8191 30.2508 178.8662 72 A 4.0160 8.1357 119.2622 55.8369 18.1952 178.4826 73 L 3.7665 8.2851 118.1115 58.0401 41.8145 178.5960 74 A 4.1655 8.0542 119.2405 55.6367 18.3747 178.9680 75 E 3.8549 8.0936 116.3477 60.2986 29.5512 178.5473 76 K 4.1181 9.5021 118.9816 57.5856 31.6528 178.3351 77 A 4.1109 7.6308 121.3136 55.6638 19.0561 181.0426 78 L 4.4586 7.9659 114.8030 54.2632 40.6222 178.4832 79 A 4.5982 9.1967 118.2217 52.8313 20.2832 177.9448 80 L 4.6373 7.8388 117.4948 54.9340 43.8248 177.6619 81 G 3.8423 8.6054 105.9020 45.6367 0.0000 172.9578 82 I 4.3837 7.5628 119.3796 59.2446 39.2773 174.8074 83 K 4.1815 8.4694 127.1654 57.4868 32.9656 176.2736 84 Q 4.8450 7.3671 115.5648 54.6268 31.4164 175.5437 85 V 4.1558 7.6432 112.3427 61.4492 37.0357 170.9018 86 A 4.5701 8.4314 126.7116 52.2822 22.5106 174.3054 87 F 5.0727 8.6675 115.9971 56.5626 43.1666 175.5764 88 D 3.7646 6.0500 122.9433 54.7718 43.1079 173.9274 89 R 3.7036 8.7034 125.5471 55.1845 28.1076 175.6912 90 G 3.5381 7.9634 112.4429 49.5034 0.0000 170.8892 91 P 4.6892 0.0000 0.0000 62.5469 31.0933 177.7955 92 Y 4.0775 7.8240 116.3357 59.3738 37.9672 176.2236 93 K 2.9380 5.6600 126.3374 54.8394 29.8697 173.6002 94 Y 4.3489 7.6322 122.4203 57.2363 40.4137 175.2209 95 H 4.0029 8.2478 122.8550 56.1737 30.3652 173.8966 96 G 3.5875 8.8342 115.5155 46.4954 0.0000 176.1839 97 R 4.3052 8.3135 114.0100 55.0942 29.7157 179.7478 98 V 3.2991 9.0495 121.9440 65.2938 31.4432 177.9393 99 K 3.8790 6.9133 113.2479 58.0148 31.0715 177.0876 100 A 3.7817 7.4038 121.2847 52.2214 14.7626 175.2510 101 L 4.5854 7.8008 119.4895 53.7142 42.6282 177.4443 102 A 4.2378 8.3926 124.9265 51.6768 19.7709 177.3565 103 E 3.3869 9.2321 115.7495 57.8470 29.6288 173.2264 104 G 3.7346 8.6838 107.2731 45.8868 0.0000 173.8576 105 A 4.1644 8.6140 125.1730 52.8571 18.3748 179.5224 106 R 3.9413 8.4085 120.3879 60.7348 29.9844 175.4512 107 E 3.7660 8.5302 121.7443 55.8816 26.8663 173.2787 108 G 4.1074 8.0878 120.6561 45.9086 0.0000 171.0089 *109 G 3.7078 8.0470 113.2986 45.1209 0.0000 172.3835 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 K 8.30 4.32 0.00 2.03 1.94 0.00 1.59 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.38 1.44 7.81 12 F 9.09 4.35 0.00 3.29 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 13 R 9.24 3.09 0.00 1.99 2.02 0.00 3.14 0.00 0.00 3.13 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 14 V 5.61 3.00 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 0.64 0.00 0.00 0.57 0.00 0.00 15 R 7.23 3.49 0.00 2.05 2.33 0.00 2.99 0.00 0.00 3.35 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.51 0.00 16 N 7.87 4.45 0.00 2.96 3.12 0.00 0.00 5.80 7.66 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 17 R 8.07 3.20 0.00 1.94 2.36 0.00 2.91 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.65 0.00 18 I 7.18 3.86 1.85 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 1.15 0.68 0.89 0.00 0.00 19 K 8.65 4.31 0.00 1.68 1.83 0.00 1.78 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.38 7.81 20 R 7.73 4.20 0.00 1.90 1.82 0.00 3.49 0.00 0.00 3.18 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 21 T 7.46 4.17 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 1.20 0.00 0.00 22 G 9.71 4.93 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 23 R 8.39 3.31 0.00 1.92 1.90 0.00 3.36 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 24 L 8.58 4.20 0.00 1.81 1.67 0.96 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 25 R 8.14 4.56 0.00 1.75 1.94 0.00 2.98 0.00 0.00 3.20 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.50 0.00 26 L 7.67 4.57 0.00 1.83 1.47 1.23 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 27 S 8.02 4.25 0.00 3.96 3.74 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 28 V 7.00 4.27 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 0.92 0.00 0.00 0.82 0.00 0.00 29 F 8.10 5.29 0.00 2.98 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.93 4.73 0.00 1.90 1.98 0.00 3.40 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.72 0.00 31 S 8.17 4.82 0.00 3.35 3.71 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 L 8.65 4.21 0.00 1.69 1.76 0.95 0.90 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 33 K 8.26 4.04 0.00 1.69 1.53 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.43 7.81 34 H 9.09 4.26 0.00 3.00 2.93 0.00 5.58 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 7.72 4.77 1.89 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 1.43 1.74 0.89 0.00 0.00 36 Y 8.70 4.40 0.00 2.87 3.03 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 37 A 8.00 5.75 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 38 Q 7.62 4.49 0.00 2.12 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.55 6.69 0.00 0.00 0.00 0.00 0.00 2.47 2.48 0.00 39 I 8.01 5.08 1.89 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 1.43 0.51 0.92 0.00 0.00 40 I 8.35 4.57 1.92 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 1.09 0.46 0.99 0.00 0.00 41 D 8.35 4.93 0.00 2.86 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.62 4.97 0.00 2.67 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 43 E 8.86 4.21 0.00 2.10 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 0.00 2.17 2.31 0.00 44 K 7.43 4.19 0.00 1.97 1.84 0.00 1.93 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.59 1.52 7.81 45 G 7.82 3.94 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 0.00 0.00 0.00 46 V 7.37 4.58 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 1.03 0.00 0.00 0.98 0.00 0.00 47 T 8.02 4.61 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 1.34 0.00 0.00 48 L 8.40 4.10 0.00 1.62 1.73 0.92 0.88 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 49 V 7.02 4.39 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 0.80 0.00 0.00 0.94 0.00 0.00 50 S 8.43 4.93 0.00 3.93 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 51 A 8.30 4.18 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 52 S 8.43 4.52 0.00 3.71 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 53 S 8.40 4.50 0.00 3.83 3.01 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 54 L 8.88 3.74 0.00 1.51 1.30 0.90 0.92 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 55 A 7.42 4.10 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 56 L 7.80 4.50 0.00 1.54 1.79 0.88 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.52 3.65 0.00 1.80 1.81 0.00 1.85 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.48 7.81 58 L 7.57 4.15 0.00 1.74 1.62 0.90 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 59 K 8.04 3.97 0.00 1.73 1.70 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.42 1.48 7.81 60 G 8.27 4.10 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 0.00 0.00 0.00 61 N 7.60 5.09 0.00 2.62 2.66 0.00 0.00 7.15 6.68 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 62 K 9.52 4.42 0.00 1.66 1.81 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.37 1.33 7.81 63 T 7.33 4.21 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 1.19 0.00 0.00 64 E 8.05 3.78 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 2.40 2.41 0.00 65 V 8.34 3.72 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 1.25 0.00 0.00 0.98 0.00 0.00 66 A 8.16 3.98 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 67 R 7.79 3.73 0.00 1.84 1.95 0.00 3.15 0.00 0.00 3.16 7.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 68 Q 8.24 3.92 0.00 2.22 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.81 0.00 0.00 0.00 0.00 0.00 2.45 2.44 0.00 69 V 8.09 3.74 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 0.83 0.00 0.00 0.97 0.00 0.00 70 G 8.11 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 71 R 8.92 3.90 0.00 1.81 2.04 0.00 3.13 0.00 0.00 3.27 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 72 A 8.14 4.02 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 73 L 8.29 3.77 0.00 2.09 1.79 1.04 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 74 A 8.05 4.17 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 75 E 8.09 3.85 0.00 2.27 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 0.00 2.34 2.40 0.00 76 K 9.50 4.12 0.00 1.86 1.75 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.10 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.48 1.76 7.81 77 A 7.63 4.11 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 78 L 7.97 4.46 0.00 1.78 1.71 0.98 0.91 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 79 A 9.20 4.60 1.30 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 0.00 0.00 0.00 80 L 7.84 4.64 0.00 1.68 1.66 0.95 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 81 G 8.61 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 0.00 0.00 0.00 82 I 7.56 4.38 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.00 0.92 0.00 0.00 83 K 8.47 4.18 0.00 1.78 1.74 0.00 1.70 0.00 0.00 1.87 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.42 7.81 84 Q 7.37 4.84 0.00 2.26 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.44 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 85 V 7.64 4.16 2.30 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 0.61 0.00 0.00 0.98 0.00 0.00 86 A 8.43 4.57 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 87 F 8.67 5.07 0.00 2.97 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 88 D 6.05 3.76 0.00 2.31 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 0.00 0.00 0.00 89 R 8.70 3.70 0.00 1.97 2.15 0.00 3.43 0.00 0.00 3.32 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.98 0.00 90 G 7.96 3.54 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 0.00 0.00 0.00 91 P 0.00 4.69 0.00 2.37 2.27 0.00 3.81 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 92 Y 7.82 4.08 0.00 3.31 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 93 K 5.66 2.94 0.00 1.65 1.74 0.00 1.46 0.00 0.00 1.47 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.26 1.41 7.81 94 Y 7.63 4.35 0.00 3.18 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.25 4.00 0.00 3.09 3.51 0.00 6.06 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 G 8.83 3.59 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 0.00 97 R 8.31 4.31 0.00 2.12 2.20 0.00 3.22 0.00 0.00 3.38 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.83 0.00 98 V 9.05 3.30 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 0.97 0.00 0.00 0.65 0.00 0.00 99 K 6.91 3.88 0.00 2.02 1.97 0.00 1.86 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.79 1.69 7.81 100 A 7.40 3.78 1.26 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 0.00 101 L 7.80 4.59 0.00 1.74 1.79 0.95 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 102 A 8.39 4.24 1.27 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 0.00 0.00 103 E 9.23 3.39 0.00 2.22 2.04 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 2.20 2.24 0.00 104 G 8.68 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.61 4.16 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 0.00 106 R 8.41 3.94 0.00 1.80 2.16 0.00 3.48 0.00 0.00 3.17 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.95 0.00 107 E 8.53 3.77 0.00 2.08 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 0.00 2.14 2.32 0.00 108 G 8.09 4.11 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 0.00 *109 G 8.05 3.71 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.