NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 18 A 4.3743 8.2649 123.5821 52.2176 20.0903 176.2609 19 T 4.2659 9.6332 118.8634 58.8012 70.7327 171.2687 20 P 4.2871 0.0000 0.0000 64.2018 32.3103 175.4267 21 G 3.9067 9.3286 111.1898 45.5863 0.0000 175.2015 22 E 3.9465 8.1492 119.9451 59.6504 29.6181 178.5524 23 L 4.1254 7.9850 116.4162 58.1858 42.0542 178.8685 24 T 3.9686 7.9123 114.8641 66.3855 68.7616 177.0932 25 L 4.4361 7.7482 121.1572 55.5422 41.7977 178.5886 *27 L 4.2290 8.0923 118.3880 54.5645 43.7598 178.8126 28 Y 4.2336 8.0530 116.2057 61.3458 37.7524 178.6105 29 N 4.4665 8.6257 117.6707 56.0789 38.5962 177.7236 30 G 3.3037 7.9449 106.6670 47.9474 0.0000 175.0238 31 C 4.2226 8.4908 121.9334 62.2147 31.4726 175.7366 32 L 4.0621 7.8881 120.6564 57.2356 41.1067 179.2677 33 K 3.8111 7.7509 119.6798 59.6670 32.1017 178.9868 34 F 4.5496 7.5175 117.9419 60.6418 38.7572 177.8472 35 I 3.8392 7.8135 119.2247 64.4357 37.0284 178.7094 36 R 3.9958 8.2276 119.0348 59.2227 29.9234 179.1221 37 L 4.1128 8.3868 118.6753 57.4064 41.5685 179.3674 38 A 4.0585 7.9072 120.6841 54.8970 18.1825 179.5163 39 A 3.9928 7.9434 119.0183 55.3008 18.3357 179.9144 40 Q 3.9503 8.0562 115.9672 59.0164 28.7260 178.8301 41 A 3.9986 8.1152 121.7288 55.2774 18.4675 179.6500 42 I 3.5836 7.8105 118.2924 64.7448 36.9525 178.5859 43 E 4.0828 7.8381 118.3577 58.8121 29.2465 178.0086 44 N 4.7756 7.6474 114.2552 51.8902 39.2015 174.5813 45 D 4.3668 7.6481 118.4943 55.3304 39.5621 173.2146 46 D 4.7188 8.4206 116.9435 52.9518 43.2106 176.0284 *48 E 4.2966 8.2898 122.4027 56.6972 31.7251 178.7437 49 R 4.0068 8.3736 117.5451 58.6713 30.0541 179.2661 50 K 3.9224 7.8691 119.4721 59.4059 32.1528 178.3121 51 N 4.2355 8.0473 116.7046 56.8615 39.0114 175.6275 52 E 3.8097 7.9054 119.9661 60.0398 29.6010 178.6695 53 N 4.1763 8.3571 115.8805 56.3062 38.6502 177.5439 54 L 4.1121 8.1280 120.4336 57.5825 41.7068 179.5491 55 I 3.7500 8.0286 120.2770 64.0804 37.0489 178.5179 56 K 3.7834 7.8819 119.1860 59.4372 31.7921 179.2809 57 A 4.2518 8.0260 120.9688 55.2799 18.2933 179.7569 58 Q 3.9922 8.1022 116.7180 59.1986 28.7448 178.6352 59 N 4.3848 8.6358 117.9522 56.2914 38.5049 177.5619 60 I 3.7380 7.9354 121.2665 64.4544 37.1220 178.5227 61 I 3.7427 7.8381 120.6782 64.5681 36.9344 178.5877 62 Q 4.0416 8.2868 118.9224 58.6974 28.3644 178.2911 63 E 4.0148 8.3287 120.6597 59.3609 29.7114 178.9462 64 L 4.0647 8.1588 119.1208 57.5484 41.6930 178.9930 65 N 4.3531 8.5125 117.5436 56.4720 38.9006 176.6888 66 F 3.9855 8.7902 122.4227 61.6549 39.4832 176.9276 67 T 4.2964 8.0215 115.1596 66.8409 68.2782 176.0678 68 L 3.9814 8.0045 121.8386 58.4079 41.8496 178.7408 69 N 4.2603 8.1362 116.1878 56.3268 38.3519 177.7004 70 R 4.3009 7.6860 120.6211 58.9653 29.6625 178.8290 71 N 4.3623 8.5883 116.4545 56.3913 38.2467 177.2177 72 I 3.9628 7.4005 119.8097 63.5137 37.6629 177.7125 73 E 4.1424 7.6433 118.4998 59.1310 29.2356 179.0153 74 L 3.9387 8.0604 118.5345 54.9851 41.8393 178.4470 75 S 3.8269 7.5125 112.8286 56.8151 63.5732 171.0993 76 A 4.1477 8.3948 121.9173 54.5077 18.2025 179.8505 77 S 4.2791 7.7812 112.5260 57.9217 62.4782 176.9078 *79 G 3.8740 8.3106 111.2913 46.8543 0.0000 176.2689 80 A 4.5084 7.4194 122.5969 52.2472 17.6674 178.9915 *82 Y 5.0789 7.9707 119.2048 60.0133 40.2543 176.9632 83 D 4.5676 8.2820 119.0403 57.7858 41.1857 178.8391 84 Y 4.2912 8.1725 116.8658 58.6488 38.6088 176.9896 *86 Y 4.5732 8.0225 120.5790 57.2670 40.6216 177.3832 87 R 3.8890 8.1237 118.7041 59.1805 29.9741 179.3128 88 R 3.7225 8.0925 118.4342 58.9009 29.8828 179.1196 89 L 3.8479 7.5967 118.3522 57.7129 41.8585 179.3442 90 V 3.3714 7.3070 118.1463 66.0506 31.3033 177.8553 91 Q 3.8816 8.1560 119.0233 59.1853 28.9643 178.0735 92 A 3.9435 8.4282 122.0517 54.8976 18.0851 179.1694 93 N 4.2614 8.0069 115.4889 56.8146 39.0874 176.9787 94 I 3.8732 7.4147 119.9885 63.9622 37.3690 177.8167 95 K 4.1926 8.1602 116.5289 55.7154 32.6245 176.3011 96 N 4.0552 7.7125 115.4298 54.1727 36.6729 173.9623 97 D 4.7409 8.0042 116.9971 52.8731 42.2797 175.7662 98 T 4.1683 8.4113 116.9807 63.1184 69.7380 176.6482 99 G 3.5394 8.6484 111.2977 46.3089 0.0000 175.5018 *101 L 4.1345 8.1000 121.3247 54.3755 43.5298 179.1702 102 A 3.9573 7.8673 118.9882 55.0619 18.4562 178.8781 103 E 3.6838 8.0535 117.7971 59.4412 29.6491 179.0434 104 V 3.5058 7.5775 117.4360 66.1621 31.5565 177.4165 105 E 3.9878 8.5688 119.3736 59.2313 29.4142 179.1863 106 G 3.4364 7.7943 105.7593 47.7652 0.0000 175.3595 107 Y 3.9719 7.3221 118.7912 60.8926 37.9422 178.6792 108 V 3.8160 8.0843 119.1786 66.4539 31.5698 178.1979 109 T 3.9129 7.9681 115.5570 66.5461 68.1986 176.5085 110 D 4.3374 7.9201 120.6808 57.4986 40.8688 178.8569 111 F 4.6588 8.0990 118.6341 60.6802 38.8702 177.7874 112 R 4.1062 8.5984 118.8347 59.3688 29.8624 178.3816 113 D 4.3919 8.4464 118.5940 57.4553 40.9037 178.4880 114 A 4.1013 8.3783 121.3768 55.0355 18.3323 179.5309 115 W 4.1078 8.5460 126.9516 60.4356 30.6450 178.2839 116 K 4.1552 8.6353 119.0958 59.2866 31.5879 178.7195 117 Q 4.1070 8.0979 117.7121 58.7859 28.9168 177.4494 118 A 4.1108 7.7481 120.4181 55.3610 18.4320 177.4516 119 I 3.5822 7.4656 120.6482 61.9520 37.2562 175.9020 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 18 A 8.26 4.37 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 19 T 9.63 4.27 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 20 P 0.00 4.29 0.00 2.11 2.01 0.00 3.71 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.90 0.00 21 G 9.33 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 22 E 8.15 3.95 0.00 1.98 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 2.35 2.66 0.00 23 L 7.99 4.13 0.00 1.60 1.72 0.89 0.85 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 24 T 7.91 3.97 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 1.17 0.00 0.00 25 L 7.75 4.44 0.00 1.75 1.92 0.97 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 *27 L 8.09 4.23 0.00 1.68 1.59 0.85 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 28 Y 8.05 4.23 0.00 3.23 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 29 N 8.63 4.47 0.00 2.72 2.83 0.00 0.00 6.96 8.19 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 30 G 7.94 3.30 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 0.00 31 C 8.49 4.22 0.00 3.11 3.22 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 32 L 7.89 4.06 0.00 1.87 1.68 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.75 3.81 0.00 1.61 1.40 0.00 1.13 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.29 1.38 7.81 34 F 7.52 4.55 0.00 3.19 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 35 I 7.81 3.84 2.05 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.40 0.94 0.00 0.00 36 R 8.23 4.00 0.00 2.03 1.98 0.00 3.16 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 37 L 8.39 4.11 0.00 1.88 1.79 1.15 0.87 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 38 A 7.91 4.06 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 39 A 7.94 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 40 Q 8.06 3.95 0.00 2.37 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.61 0.00 41 A 8.12 4.00 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 42 I 7.81 3.58 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.08 0.92 0.00 0.00 43 E 7.84 4.08 0.00 2.04 2.02 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 2.35 2.65 0.00 44 N 7.65 4.78 0.00 2.66 2.83 0.00 0.00 7.22 9.28 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 45 D 7.65 4.37 0.00 2.79 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 46 D 8.42 4.72 0.00 2.63 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.29 4.30 0.00 2.20 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 2.30 2.28 0.00 49 R 8.37 4.01 0.00 1.88 1.99 0.00 3.36 0.00 0.00 3.11 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 50 K 7.87 3.92 0.00 1.95 1.80 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.46 7.81 51 N 8.05 4.24 0.00 2.86 2.89 0.00 0.00 6.73 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 52 E 7.91 3.81 0.00 2.15 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 2.31 2.25 0.00 53 N 8.36 4.18 0.00 2.91 3.21 0.00 0.00 7.18 6.02 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 54 L 8.13 4.11 0.00 1.90 1.72 0.93 0.75 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 55 I 8.03 3.75 1.95 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 1.50 0.60 0.86 0.00 0.00 56 K 7.88 3.78 0.00 1.31 1.06 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.67 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.07 1.26 7.81 57 A 8.03 4.25 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 58 Q 8.10 3.99 0.00 2.30 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 59 N 8.64 4.38 0.00 2.82 2.86 0.00 0.00 7.04 7.40 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 60 I 7.94 3.74 2.12 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.85 0.96 0.00 0.00 61 I 7.84 3.74 2.06 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.95 0.95 0.00 0.00 62 Q 8.29 4.04 0.00 2.26 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.59 0.00 63 E 8.33 4.01 0.00 2.22 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 0.00 2.33 2.43 0.00 64 L 8.16 4.06 0.00 1.86 1.66 0.47 0.08 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 65 N 8.51 4.35 0.00 3.03 2.99 0.00 0.00 6.80 8.12 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 66 F 8.79 3.99 0.00 3.22 3.06 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 0.00 0.00 0.00 0.00 67 T 8.02 4.30 4.40 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 1.46 0.00 0.00 68 L 8.00 3.98 0.00 1.86 1.91 0.96 0.62 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 69 N 8.14 4.26 0.00 2.70 2.66 0.00 0.00 7.11 7.06 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 70 R 7.69 4.30 0.00 1.87 1.78 0.00 2.36 0.00 0.00 2.72 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.50 0.00 71 N 8.59 4.36 0.00 2.94 2.95 0.00 0.00 7.11 7.02 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 72 I 7.40 3.96 1.99 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 1.52 0.59 0.89 0.00 0.00 73 E 7.64 4.14 0.00 2.15 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 0.00 2.26 2.40 0.00 74 L 8.06 3.94 0.00 1.58 1.67 0.95 1.34 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 75 S 7.51 3.83 0.00 4.16 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 76 A 8.39 4.15 1.29 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 0.00 0.00 77 S 7.78 4.28 0.00 3.98 4.06 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 0.00 0.00 0.00 0.00 *79 G 8.31 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 0.00 0.00 0.00 80 A 7.42 4.51 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 *82 Y 7.97 5.08 0.00 3.20 2.97 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 83 D 8.28 4.57 0.00 3.00 2.81 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 0.00 0.00 0.00 0.00 84 Y 8.17 4.29 0.00 3.13 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 *86 Y 8.02 4.57 0.00 3.23 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 87 R 8.12 3.89 0.00 1.92 1.90 0.00 3.22 0.00 0.00 3.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 2.00 0.00 88 R 8.09 3.72 0.00 1.55 1.84 0.00 3.41 0.00 0.00 3.11 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.39 0.00 89 L 7.60 3.85 0.00 1.63 1.58 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 90 V 7.31 3.37 2.02 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 0.90 0.00 0.00 0.45 0.00 0.00 91 Q 8.16 3.88 0.00 2.18 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 92 A 8.43 3.94 1.38 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 0.00 0.00 93 N 8.01 4.26 0.00 2.74 2.96 0.00 0.00 7.24 8.43 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 94 I 7.41 3.87 1.94 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 1.50 0.50 0.89 0.00 0.00 95 K 8.16 4.19 0.00 1.69 1.83 0.00 1.86 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.58 1.60 7.81 96 N 7.71 4.06 0.00 2.83 2.86 0.00 0.00 6.78 8.61 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 97 D 8.00 4.74 0.00 2.60 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 98 T 8.41 4.17 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 99 G 8.65 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 *101 L 8.10 4.13 0.00 1.88 1.73 0.89 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 102 A 7.87 3.96 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 0.00 103 E 8.05 3.68 0.00 1.97 1.85 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 1.77 2.18 0.00 104 V 7.58 3.51 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 1.15 0.00 0.00 0.96 0.00 0.00 105 E 8.57 3.99 0.00 2.08 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 2.27 2.32 0.00 106 G 7.79 3.44 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 Y 7.32 3.97 0.00 3.16 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 0.00 108 V 8.08 3.82 2.15 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 1.23 0.00 0.00 1.20 0.00 0.00 109 T 7.97 3.91 4.37 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 1.27 0.00 0.00 110 D 7.92 4.34 0.00 2.63 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 0.00 111 F 8.10 4.66 0.00 3.17 3.09 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 0.00 0.00 0.00 0.00 112 R 8.60 4.11 0.00 2.03 2.13 0.00 3.15 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.74 0.00 113 D 8.45 4.39 0.00 2.95 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 0.00 114 A 8.38 4.10 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 0.00 115 W 8.55 4.11 0.00 3.76 3.33 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 0.00 116 K 8.64 4.16 0.00 2.00 2.12 0.00 1.91 0.00 0.00 1.75 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.56 7.81 117 Q 8.10 4.11 0.00 2.61 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.59 0.00 0.00 0.00 0.00 0.00 2.39 2.24 0.00 118 A 7.75 4.11 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 0.00 119 I 7.47 3.58 1.97 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.61 0.75 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.