NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 I 4.2274 8.0093 121.4387 61.6477 37.7671 175.1492 5 N 4.9044 8.2931 124.2619 49.9544 37.9594 172.5686 6 T 4.7038 8.5578 110.0951 60.7033 73.3971 175.4732 7 F 4.1679 8.4180 120.9673 61.1713 39.0090 177.8686 8 D 4.5043 8.2986 117.7902 57.2905 40.8274 178.8602 9 G 3.6750 8.2265 106.2398 47.8892 0.0000 175.9161 10 V 3.6347 8.1075 120.9833 65.4446 31.5572 177.7493 11 A 4.0635 8.0500 120.5602 55.5446 18.2515 179.4364 12 D 4.2507 8.2288 117.2189 57.4659 40.8904 178.2881 13 Y 3.9052 8.1511 120.0058 60.7240 38.7586 178.1245 14 L 3.8159 8.1624 119.9128 58.0968 41.5322 179.7411 15 Q 3.4366 7.5897 116.4061 58.6497 28.6134 178.6522 16 T 3.5656 6.9889 115.4725 66.1146 68.3233 176.0772 17 Y 4.2023 7.5364 116.6770 57.1212 38.1756 176.1818 18 H 3.2903 7.7134 116.2343 55.6203 26.7876 174.3250 19 K 4.6688 7.1963 112.7221 55.8565 35.3377 175.1721 20 L 4.1232 8.2296 119.7045 53.4632 42.4157 175.4016 21 P 3.6798 0.0000 0.0000 62.3678 31.6853 177.2447 22 D 4.5366 8.3021 118.8554 56.2133 40.9089 177.0379 23 N 4.5355 7.9540 116.4038 53.2132 37.7669 173.5416 24 Y 5.1405 7.3870 117.3077 56.6903 39.9304 175.1788 25 I 4.9599 8.4208 115.6451 59.4134 41.7956 174.8851 26 T 4.6675 9.3316 115.0914 60.9586 70.3192 175.6889 27 K 3.9637 9.2648 121.4083 59.8847 31.9475 179.9123 28 S 4.2059 8.0717 114.6821 61.8119 62.6934 176.4571 29 E 4.0365 7.8412 119.8242 59.1338 29.3636 179.1232 30 A 4.1491 8.1677 120.9071 55.3321 18.5152 179.4003 31 Q 4.1054 8.7054 116.7760 59.4855 28.6654 179.4744 32 A 4.1618 7.9990 119.8474 54.2366 18.4596 178.5322 33 L 4.5281 7.7147 115.6463 54.2415 42.2145 177.1242 34 G 4.1528 7.8112 107.8610 44.8890 0.0000 173.7534 35 W 4.3974 8.1806 129.8669 56.9493 31.2015 175.5158 36 V 3.7469 9.2677 125.8979 60.4898 32.2265 175.4044 37 A 3.5384 7.3681 131.4214 55.2836 18.1742 179.5622 38 S 4.4209 7.7940 109.6930 60.6841 62.9994 175.0725 39 K 4.2498 7.9538 118.4034 55.2332 32.8851 176.2585 40 G 3.1098 7.0464 106.7505 46.5569 0.0000 174.2652 41 N 4.8710 7.8641 112.8218 52.3633 38.0911 175.0735 42 L 3.9685 8.2577 123.7761 59.0364 41.9130 178.8884 43 A 4.3735 8.1642 118.0814 54.7514 18.3213 178.8862 44 D 4.4471 7.8695 116.7619 57.5460 41.2248 178.6226 45 V 4.0190 7.8561 111.2759 62.5460 33.2262 176.6105 46 A 4.6259 8.4445 121.5206 48.5586 18.7766 172.1410 47 P 4.3482 0.0000 0.0000 63.9888 31.7754 178.1299 48 G 3.8617 8.9460 110.2468 45.1463 0.0000 173.0111 49 K 4.6498 7.7829 118.7200 55.3251 34.0157 176.2551 50 S 4.5367 8.3451 117.1752 56.5304 67.5583 173.6464 51 I 4.2060 7.9494 123.5440 61.2124 38.0362 175.3488 52 G 4.2031 9.1439 112.1242 47.2704 0.0000 173.6488 53 G 4.3631 9.9272 110.6525 44.5225 0.0000 174.1022 54 D 4.7331 8.0473 119.6161 53.8101 42.4255 175.7889 55 I 4.3007 8.3528 122.0098 61.5423 37.9685 175.1506 56 F 4.8590 8.8628 129.5667 56.3101 40.2618 175.6659 57 S 3.9596 8.1018 121.4076 59.3838 63.2842 173.7467 58 N 3.8389 6.6972 120.1493 54.5239 36.9904 176.8192 *59 R 3.9341 7.8840 115.2655 59.3695 29.2970 179.9363 60 E 4.2209 8.1665 115.5448 55.7782 29.3911 177.2548 61 G 4.4976 7.9132 107.0442 46.3366 0.0000 174.9803 62 K 4.1474 7.4658 118.5474 57.1839 32.5544 177.4171 63 L 4.0814 6.9866 117.7950 51.2017 44.0126 174.3822 64 P 4.1596 0.0000 0.0000 62.8598 31.5732 176.6764 65 G 3.8425 8.7844 112.1664 46.2501 0.0000 172.1705 66 K 4.5970 8.3326 121.3771 54.2848 36.7866 175.6842 67 S 4.2484 8.4300 115.7324 58.6536 63.2977 176.1142 68 G 3.7349 8.9207 113.0625 49.2298 0.0000 176.3018 69 R 4.6855 7.6286 117.0210 55.5273 30.4359 178.9809 70 C 4.3982 8.0501 117.8896 57.8717 41.4149 173.8334 71 W 5.2873 7.8613 119.7697 54.9892 31.2314 175.3588 72 R 5.1998 9.0022 122.2202 54.3425 34.3168 173.8224 73 E 5.4880 9.0493 117.5988 55.0453 33.7368 174.2472 74 A 5.0126 8.7192 120.4532 50.5870 23.0331 175.4955 75 D 4.9990 9.3675 121.7326 54.4231 40.4032 176.1163 76 I 4.3539 8.2961 122.7610 60.0172 40.6776 175.5872 77 N 4.0820 8.5123 120.9072 54.3771 36.5294 173.6149 78 Y 4.4337 7.2698 117.5547 57.0178 39.8127 175.9077 79 T 3.9965 7.1075 113.8036 62.7393 71.5039 173.6978 80 S 4.1976 6.3867 111.9126 58.5879 65.4894 175.4347 81 G 3.8402 8.5900 107.2670 44.4342 0.0000 173.3027 82 F 4.3650 8.5908 117.3681 57.0509 39.6583 175.4964 83 R 4.1854 8.7814 122.3942 56.7111 30.6394 177.0233 84 N 4.9397 8.5367 118.7648 52.3278 40.0330 174.7393 85 S 4.1335 8.4382 112.5816 58.7447 64.6430 172.9752 86 D 5.4363 8.2500 122.4272 53.7661 42.2274 175.8152 87 R 4.9723 9.2077 121.5079 54.6835 35.3913 173.6431 88 I 5.1942 9.0035 122.1171 59.4299 40.8205 174.1216 89 L 5.4925 9.2933 129.1415 53.1693 44.2361 175.0538 90 Y 5.6720 9.1532 122.2086 55.4451 41.7835 175.1009 91 S 4.6100 8.0529 116.2826 55.7404 65.3550 174.4578 92 C 3.5282 8.0295 116.9417 59.0037 39.8957 174.6041 93 D 4.4587 7.2071 117.0784 52.0906 39.1118 175.9658 94 W 3.8338 6.6470 117.2177 58.2556 27.2547 174.5016 95 L 4.5083 7.7832 117.5755 54.4564 42.3377 176.1482 96 I 5.4358 8.8739 122.8786 59.9839 40.4580 174.3175 97 Y 5.2902 10.0140 124.1704 55.9893 42.0963 174.5572 98 K 5.3179 9.4451 119.9001 55.6221 36.2471 174.9660 99 T 4.9147 8.8841 115.6247 60.6007 70.8311 174.0329 100 T 5.1358 8.7659 115.5859 60.2196 69.3740 173.3272 101 D 4.7254 7.3795 121.7740 53.9882 40.1097 174.9401 102 H 3.4369 8.5183 111.3584 58.5868 26.5084 175.1752 103 Y 3.0893 7.2543 110.1515 58.9737 35.9381 171.9809 104 Q 4.1342 7.8221 119.3566 58.5674 28.9617 176.5403 105 T 4.7081 8.3949 105.6273 59.6173 71.7352 172.8333 106 F 5.3131 8.5516 119.7772 56.2168 43.2768 174.3858 107 T 4.7431 9.1112 117.4703 61.4534 72.2260 173.3638 108 K 3.3352 8.5686 128.1499 56.1398 32.2752 176.2339 109 I 4.4872 8.8093 119.6171 60.6601 39.6883 175.8922 110 R 4.1818 7.5918 127.0433 56.7195 31.0806 174.5340 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 4 I 8.01 4.23 1.78 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 1.49 1.04 0.94 0.00 0.00 5 N 8.29 4.90 0.00 2.84 2.83 0.00 0.00 5.82 6.34 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 6 T 8.56 4.70 4.26 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 1.20 0.00 0.00 7 F 8.42 4.17 0.00 3.17 3.16 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 8 D 8.30 4.50 0.00 2.76 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 9 G 8.23 3.67 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 0.00 0.00 0.00 10 V 8.11 3.63 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 0.94 0.00 0.00 1.08 0.00 0.00 11 A 8.05 4.06 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.23 4.25 0.00 2.86 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 13 Y 8.15 3.91 0.00 3.26 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 14 L 8.16 3.82 0.00 1.92 1.64 0.39 0.54 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 15 Q 7.59 3.44 0.00 1.89 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.96 0.00 0.00 0.00 0.00 0.00 2.46 2.59 0.00 16 T 6.99 3.57 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 0.34 0.00 0.00 17 Y 7.54 4.20 0.00 2.52 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 18 H 7.71 3.29 0.00 3.27 3.53 0.00 5.89 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.20 4.67 0.00 1.96 1.87 0.00 1.49 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.45 1.70 7.81 20 L 8.23 4.12 0.00 1.63 1.46 0.82 0.36 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 21 P 0.00 3.68 0.00 2.18 1.16 0.00 3.43 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 1.60 0.00 22 D 8.30 4.54 0.00 2.62 2.69 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 0.00 0.00 0.00 0.00 23 N 7.95 4.54 0.00 2.79 2.87 0.00 0.00 6.14 7.57 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 24 Y 7.39 5.14 0.00 3.00 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 25 I 8.42 4.96 1.91 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.93 0.90 0.00 0.00 26 T 9.33 4.67 4.63 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 1.27 0.00 0.00 27 K 9.26 3.96 0.00 1.94 2.16 0.00 1.91 0.00 0.00 1.95 0.00 0.00 3.06 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.62 1.73 7.81 28 S 8.07 4.21 0.00 3.92 3.96 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 0.00 0.00 0.00 29 E 7.84 4.04 0.00 2.03 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 2.38 2.37 0.00 30 A 8.17 4.15 1.23 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 0.00 0.00 31 Q 8.71 4.11 0.00 2.35 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.45 2.84 0.00 32 A 8.00 4.16 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 33 L 7.71 4.53 0.00 1.83 1.75 0.93 0.88 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 34 G 7.81 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 0.00 0.00 0.00 0.00 35 W 8.18 4.40 0.00 3.21 3.24 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 36 V 9.27 3.75 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 0.87 0.00 0.00 0.84 0.00 0.00 37 A 7.37 3.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 S 7.79 4.42 0.00 3.83 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 39 K 7.95 4.25 0.00 1.77 1.76 0.00 1.82 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.32 7.81 40 G 7.05 3.11 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 41 N 7.86 4.87 0.00 2.93 3.00 0.00 0.00 5.72 6.67 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 42 L 8.26 3.97 0.00 1.44 1.69 0.45 0.26 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 43 A 8.16 4.37 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 44 D 7.87 4.45 0.00 2.89 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 45 V 7.86 4.02 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 0.92 0.00 0.00 1.03 0.00 0.00 46 A 8.44 4.63 1.17 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 0.00 0.00 47 P 0.00 4.35 0.00 2.16 2.09 0.00 3.79 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 48 G 8.95 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.78 4.65 0.00 1.65 1.60 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.69 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.49 7.81 50 S 8.35 4.54 0.00 2.93 3.50 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 51 I 7.95 4.21 1.82 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.06 0.82 0.00 0.00 52 G 9.14 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 0.00 0.00 0.00 0.00 53 G 9.93 4.36 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 0.00 54 D 8.05 4.73 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 55 I 8.35 4.30 1.88 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 1.25 0.75 0.91 0.00 0.00 56 F 8.86 4.86 0.00 2.98 2.96 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 0.00 0.00 0.00 57 S 8.10 3.96 0.00 3.80 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 58 N 6.70 3.84 0.00 2.76 2.79 0.00 0.00 7.32 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 *59 R 7.88 3.93 0.00 1.87 1.85 0.00 3.32 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.24 0.00 60 E 8.17 4.22 0.00 2.04 2.01 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 2.40 2.29 0.00 61 G 7.91 4.50 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 0.00 62 K 7.47 4.15 0.00 1.71 2.05 0.00 1.79 0.00 0.00 1.97 0.00 0.00 3.11 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.59 1.47 7.81 63 L 6.99 4.08 0.00 0.64 0.13 -0.73 -0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.16 0.00 2.29 2.16 0.00 3.37 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.20 0.00 65 G 8.78 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 66 K 8.33 4.60 0.00 1.57 1.45 0.00 1.43 0.00 0.00 1.58 0.00 0.00 2.97 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.71 0.82 7.81 67 S 8.43 4.25 0.00 3.78 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 68 G 8.92 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 69 R 7.63 4.69 0.00 1.81 1.77 0.00 3.26 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.18 0.00 70 C 8.05 4.40 0.00 2.99 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 71 W 7.86 5.29 0.00 3.50 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 72 R 9.00 5.20 0.00 0.67 1.45 0.00 3.12 0.00 0.00 3.48 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.37 0.00 73 E 9.05 5.49 0.00 2.14 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 2.44 2.37 0.00 74 A 8.72 5.01 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 D 9.37 5.00 0.00 2.68 2.65 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 76 I 8.30 4.35 1.34 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.94 -0.34 0.00 0.00 77 N 8.51 4.08 0.00 2.84 2.87 0.00 0.00 6.88 7.00 0.00 0.00 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 Y 7.27 4.43 0.00 2.99 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 79 T 7.11 4.00 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 1.08 0.00 0.00 80 S 6.39 4.20 0.00 3.85 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 81 G 8.59 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 F 8.59 4.36 0.00 3.17 3.15 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 0.00 83 R 8.78 4.19 0.00 1.99 1.95 0.00 3.20 0.00 0.00 3.56 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.74 0.00 84 N 8.54 4.94 0.00 2.85 2.97 0.00 0.00 6.02 7.64 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 85 S 8.44 4.13 0.00 3.77 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 86 D 8.25 5.44 0.00 2.94 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 87 R 9.21 4.97 0.00 1.63 1.81 0.00 3.51 0.00 0.00 3.13 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.07 0.00 88 I 9.00 5.19 2.07 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.93 1.03 0.00 0.00 89 L 9.29 5.49 0.00 1.68 1.52 0.31 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 90 Y 9.15 5.67 0.00 3.18 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 91 S 8.05 4.61 0.00 2.72 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 92 C 8.03 3.53 0.00 2.62 2.86 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 0.00 0.00 0.00 93 D 7.21 4.46 0.00 2.65 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 W 6.65 3.83 0.00 3.57 3.41 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 95 L 7.78 4.51 0.00 1.86 1.94 1.20 0.63 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 96 I 8.87 5.44 2.01 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.20 1.14 0.00 0.00 97 Y 10.01 5.29 0.00 2.85 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 98 K 9.45 5.32 0.00 1.13 1.58 0.00 0.69 0.00 0.00 1.24 0.00 0.00 2.24 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.03 7.81 99 T 8.88 4.91 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 1.03 0.00 0.00 100 T 8.77 5.14 4.33 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 1.25 0.00 0.00 101 D 7.38 4.73 0.00 2.76 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 0.00 102 H 8.52 3.44 0.00 3.30 3.46 0.00 5.98 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 Y 7.25 3.09 0.00 3.21 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 0.00 104 Q 7.82 4.13 0.00 2.41 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.69 0.00 0.00 0.00 0.00 0.00 2.42 2.57 0.00 105 T 8.39 4.71 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 1.22 0.00 0.00 106 F 8.55 5.31 0.00 2.93 3.08 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 0.00 107 T 9.11 4.74 4.17 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 1.15 0.00 0.00 108 K 8.57 3.34 0.00 1.07 1.44 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.81 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.17 0.92 7.81 109 I 8.81 4.49 1.86 0.00 0.00 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 1.31 0.91 0.79 0.00 0.00 110 R 7.59 4.18 0.00 1.89 1.84 0.00 3.47 0.00 0.00 3.39 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 * Residues marked with a * may have inaccurate shift predictions.