NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.3714 8.1927 115.2801 57.8145 63.5019 174.0304 4 L 3.7199 8.5348 130.0822 57.6075 41.4738 176.8186 5 A 3.9895 8.2616 120.5596 55.5744 18.5475 178.9738 6 R 3.9995 7.9371 115.5616 58.5491 30.1927 178.5403 7 A 4.1827 7.5902 120.4454 55.1635 18.6345 179.8677 8 V 3.7511 8.0577 117.5652 64.4384 31.2095 178.1970 9 E 3.9962 7.8111 119.6825 59.3626 29.4195 178.6625 10 R 4.1536 7.6419 116.2812 58.2773 30.4664 178.6346 11 L 4.1074 7.8250 120.7645 57.9830 42.2901 178.4108 12 K 3.8482 7.8556 119.4296 59.6804 31.7295 178.1665 13 A 4.0098 8.0940 120.6089 55.4396 16.8312 179.3672 14 A 3.8937 7.9690 118.3239 54.6438 18.4065 179.5057 15 L 4.1804 7.6027 116.4002 57.1472 41.8043 178.8501 16 E 4.1740 7.5822 118.1219 58.1800 29.7727 177.7948 17 R 4.1281 6.7084 114.5463 55.2477 30.7797 174.5270 18 P 4.3850 0.0000 0.0000 62.0870 31.8842 176.3420 19 K 3.9881 8.5766 124.5766 56.8857 32.7699 175.7343 20 D 4.6663 8.4113 123.6638 51.0112 43.3984 175.9632 21 E 3.6971 8.7713 119.7265 60.1043 28.8149 179.5042 22 F 4.3489 7.9728 117.3817 60.0003 39.2160 177.5728 23 I 4.0632 7.9980 119.3383 64.2454 37.0591 177.6222 24 R 4.2906 8.2533 119.6918 59.9819 29.7583 178.1889 25 D 4.5551 8.2995 118.4574 57.0180 40.8020 178.4201 26 S 4.5474 7.9291 113.1371 59.3558 63.5433 175.8361 27 A 4.1428 8.3517 125.5247 54.6491 18.6106 179.5337 28 I 3.7237 7.7146 118.0029 64.6357 37.1315 178.1452 29 Q 3.9681 7.8934 120.2771 59.4061 28.9995 178.6288 30 R 2.5100 7.6567 118.8014 57.9878 29.9710 178.9067 31 F 4.2798 7.9303 121.0686 61.1890 39.5208 176.4941 32 E 3.5610 8.1061 119.2961 59.3053 29.4187 178.6327 33 F 4.5857 7.5454 113.3987 59.0759 38.2568 178.0306 34 T 3.9328 7.4909 116.9250 66.5824 68.4324 176.1577 35 F 4.0573 8.3828 122.9670 62.0623 39.2969 175.9943 36 E 4.2561 8.4151 118.0230 59.7501 28.8967 178.2095 37 L 3.8744 8.4309 120.5018 57.9492 42.3279 179.2517 38 A 3.9174 7.8954 120.6766 54.1988 18.6280 179.3293 39 W 4.1191 7.9738 115.1606 59.2447 28.6198 178.8101 40 K 2.9037 7.2680 118.6348 58.3690 31.2595 179.0009 41 T 4.0824 6.9655 116.0271 65.8406 68.6582 177.0097 42 L 4.0366 7.5406 120.5608 57.2368 41.5726 179.3728 43 K 3.8912 8.5473 120.2436 59.7476 32.1004 178.8696 44 T 3.7563 7.2752 114.5693 66.6042 68.3265 176.1189 45 F 3.9229 8.1089 122.3471 61.3158 39.3849 177.1500 46 L 3.8963 8.1521 118.4185 57.7841 41.3802 179.1918 47 E 4.1887 8.1239 119.8424 58.8879 29.2430 179.2963 48 L 3.8642 7.6478 118.6253 58.1932 42.0775 178.7412 49 Q 4.0041 7.2658 116.8067 56.8629 28.6055 176.8863 50 G 4.0046 8.1895 108.6189 45.5368 0.0000 172.9836 51 L 4.7626 7.9252 118.4553 52.5423 44.6851 175.3773 52 E 4.5366 7.9819 118.3690 54.8293 31.7688 176.4220 53 A 4.5693 7.7709 118.8727 52.3705 20.2043 176.2686 54 R 4.3191 8.7918 121.3657 58.5116 31.0791 178.1040 55 S 4.6651 7.6880 111.5930 55.6413 66.7925 172.9740 56 P 3.7007 0.0000 0.0000 65.7805 30.9467 178.8827 57 R 3.8684 7.7735 116.4850 59.4267 29.9680 178.2942 58 A 4.0199 7.7600 119.3888 54.9415 18.3594 179.5158 59 A 3.9920 8.2636 119.6846 55.1488 18.4327 180.0212 60 I 3.0880 7.7696 118.3487 64.3182 37.2239 178.2858 61 R 4.0795 7.9825 119.6911 59.6287 29.7214 178.6549 62 G 3.5714 8.3867 105.2377 47.8864 0.0000 175.4870 63 A 3.9199 8.2933 123.8416 54.4584 18.0117 179.8481 64 F 4.6963 7.7902 116.7463 60.6542 39.0299 177.8618 65 Q 4.1032 8.0873 116.0056 59.6087 28.4585 178.8414 66 V 3.8497 7.8608 120.8461 62.6120 31.2022 176.9116 67 G 4.0770 7.6206 107.1059 45.3880 0.0000 174.5612 68 L 3.9276 7.3541 121.6981 56.1721 42.5592 176.6530 69 L 4.6382 7.2788 120.1005 52.9343 43.4088 174.9969 70 P 4.6142 0.0000 0.0000 61.3656 32.3552 175.7957 71 E 2.7544 8.5062 119.7968 56.9329 29.6541 177.1319 72 D 4.5387 7.7345 123.6132 51.2806 42.8371 173.6271 73 P 4.4675 0.0000 0.0000 65.3184 31.3189 178.2001 74 F 4.2026 8.8202 119.9539 60.8720 38.9866 176.9522 75 W 4.2097 8.2133 117.7635 59.9543 29.2379 178.1990 76 L 4.3248 7.9301 118.1123 57.3203 41.0386 178.6810 77 E 4.0656 7.8308 119.5729 56.2084 29.3197 178.2742 *79 L 3.7008 8.0903 120.5208 54.4673 43.9860 177.9890 80 E 3.8382 8.0623 117.6516 59.3040 29.7542 178.5752 81 L 4.0548 7.7513 118.7675 57.8722 41.8798 179.1616 82 R 3.7435 7.9720 118.0922 59.8988 29.4563 177.7497 83 N 4.4929 7.6456 113.8088 55.3180 38.7950 176.7313 84 L 4.2643 8.2058 120.7271 56.3543 41.7094 178.5705 85 T 3.3060 7.2632 108.6417 64.3257 68.3934 174.1847 86 N 4.6147 7.9403 116.3659 53.7597 38.3155 174.9489 87 H 4.3846 8.8369 117.7128 55.9061 28.9799 175.7330 88 T 4.1409 7.6139 107.4495 62.2989 68.3776 175.0566 89 Y 4.0819 6.9686 121.5943 59.8135 38.4822 175.4724 90 D 4.5651 7.2747 120.2998 53.1442 40.5873 176.1674 91 E 3.9622 8.8291 127.7444 59.3928 29.4137 179.1667 92 A 3.9890 7.9698 120.4434 54.8174 18.3884 179.3089 93 L 3.8147 9.2604 119.8702 58.0953 42.1101 178.6469 94 A 3.9655 7.7362 120.5242 55.6170 18.2830 179.3063 95 E 3.8385 8.1531 116.5286 59.6635 29.3101 179.6521 96 R 3.8827 7.7473 117.5626 59.4669 30.2939 178.4761 97 I 3.7998 7.9151 119.6504 64.4356 37.2377 177.3904 98 Y 3.8928 8.1781 120.4228 60.9983 38.3199 178.1863 99 A 4.1568 7.9436 119.8442 55.0728 18.6504 178.6737 100 E 4.2158 8.2969 116.3317 57.7142 29.8494 178.4482 101 L 3.6177 7.4333 119.7532 57.4733 41.4434 177.6394 102 P 4.1257 0.0000 0.0000 65.3184 31.4888 178.6723 103 K 3.7919 7.7314 116.6638 59.3432 32.1450 178.7772 104 A 3.8641 7.9037 120.9269 55.2371 18.1408 179.3912 105 L 3.9166 8.3792 118.8745 58.3949 42.0930 178.9821 106 E 4.0965 7.9189 118.3046 59.5548 29.3763 179.5671 107 R 3.8817 7.6199 117.4221 59.2785 30.0384 179.0289 108 F 4.7827 7.7901 117.4096 60.9237 39.0065 177.8102 109 Q 4.1139 8.4377 117.7461 58.9714 28.2394 178.5609 110 E 4.0297 8.4081 120.0796 58.9919 30.0031 178.4287 111 L 4.1834 8.2176 120.4501 58.1356 42.3003 178.7583 112 L 3.9561 8.1421 118.9856 58.0805 41.4242 179.3468 113 R 3.9284 7.8282 116.9097 59.6651 30.1635 178.0153 114 R 4.2763 7.9399 116.4338 57.3596 30.0395 177.1959 115 L 3.9644 7.5584 118.3048 54.7218 41.7512 176.4993 116 E 4.0768 7.9630 125.8069 56.7577 31.0655 173.7679 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 3 S 8.19 4.37 0.00 3.84 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 4 L 8.53 3.72 0.00 1.82 1.61 0.77 0.75 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 5 A 8.26 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 6 R 7.94 4.00 0.00 1.93 1.93 0.00 3.16 0.00 0.00 3.17 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 7 A 7.59 4.18 1.51 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 8 V 8.06 3.75 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 0.97 0.00 0.00 1.10 0.00 0.00 9 E 7.81 4.00 0.00 2.37 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 0.00 2.33 2.43 0.00 10 R 7.64 4.15 0.00 2.12 2.16 0.00 3.25 0.00 0.00 3.24 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.95 0.00 11 L 7.83 4.11 0.00 1.87 1.95 0.96 0.48 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 12 K 7.86 3.85 0.00 1.98 1.98 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.49 7.81 13 A 8.09 4.01 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 14 A 7.97 3.89 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 15 L 7.60 4.18 0.00 1.77 1.68 0.79 0.57 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 16 E 7.58 4.17 0.00 1.99 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 2.36 2.55 0.00 17 R 6.71 4.13 0.00 1.83 1.92 0.00 3.36 0.00 0.00 3.31 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.78 0.00 18 P 0.00 4.38 0.00 2.19 2.09 0.00 3.81 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.97 0.00 19 K 8.58 3.99 0.00 1.69 1.69 0.00 1.00 0.00 0.00 1.49 0.00 0.00 2.79 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.23 1.05 7.81 20 D 8.41 4.67 0.00 2.99 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 21 E 8.77 3.70 0.00 1.92 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 0.00 1.79 1.47 0.00 22 F 7.97 4.35 0.00 3.29 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 23 I 8.00 4.06 2.08 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.06 1.08 0.00 0.00 24 R 8.25 4.29 0.00 1.64 2.01 0.00 3.03 0.00 0.00 3.17 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.56 0.00 25 D 8.30 4.56 0.00 2.93 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 26 S 7.93 4.55 0.00 4.09 4.35 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 27 A 8.35 4.14 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 28 I 7.71 3.72 2.10 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 0.67 0.98 0.00 0.00 29 Q 7.89 3.97 0.00 2.16 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.46 2.55 0.00 30 R 7.66 2.51 0.00 1.68 1.59 0.00 3.24 0.00 0.00 3.30 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.92 0.00 31 F 7.93 4.28 0.00 3.12 3.32 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 0.00 0.00 0.00 32 E 8.11 3.56 0.00 2.00 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 2.37 2.32 0.00 33 F 7.55 4.59 0.00 3.16 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 34 T 7.49 3.93 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 0.39 0.00 0.00 35 F 8.38 4.06 0.00 2.79 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 36 E 8.42 4.26 0.00 2.45 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 0.00 2.43 2.49 0.00 37 L 8.43 3.87 0.00 2.01 1.76 0.85 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 38 A 7.90 3.92 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 W 7.97 4.12 0.00 3.49 2.93 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 40 K 7.27 2.90 0.00 1.47 1.53 0.00 1.49 0.00 0.00 1.44 0.00 0.00 2.84 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.80 0.77 7.81 41 T 6.97 4.08 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 1.16 0.00 0.00 42 L 7.54 4.04 0.00 1.85 1.65 0.51 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 43 K 8.55 3.89 0.00 1.50 1.43 0.00 1.42 0.00 0.00 1.26 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.31 1.60 7.81 44 T 7.28 3.76 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 1.17 0.00 0.00 45 F 8.11 3.92 0.00 3.23 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 46 L 8.15 3.90 0.00 1.87 1.70 0.99 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.12 4.19 0.00 2.17 1.94 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 2.29 2.29 0.00 48 L 7.65 3.86 0.00 1.47 1.58 0.84 0.57 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 49 Q 7.27 4.00 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.91 0.00 0.00 0.00 0.00 0.00 1.95 2.19 0.00 50 G 8.19 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.93 4.76 0.00 1.79 1.55 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 52 E 7.98 4.54 0.00 1.91 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 2.21 2.32 0.00 53 A 7.77 4.57 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 54 R 8.79 4.32 0.00 1.86 2.09 0.00 3.26 0.00 0.00 3.30 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 55 S 7.69 4.67 0.00 3.86 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 56 P 0.00 3.70 0.00 1.80 1.59 0.00 3.09 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.44 0.00 57 R 7.77 3.87 0.00 1.83 1.89 0.00 3.18 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 58 A 7.76 4.02 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 59 A 8.26 3.99 1.57 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 0.00 0.00 60 I 7.77 3.09 1.89 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.64 0.38 0.00 0.00 61 R 7.98 4.08 0.00 2.15 2.12 0.00 3.23 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.80 0.00 62 G 8.39 3.57 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 0.00 0.00 0.00 63 A 8.29 3.92 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 64 F 7.79 4.70 0.00 3.31 2.98 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 65 Q 8.09 4.10 0.00 2.27 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.97 0.00 0.00 0.00 0.00 0.00 2.58 2.42 0.00 66 V 7.86 3.85 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 0.98 0.00 0.00 1.05 0.00 0.00 67 G 7.62 4.08 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 0.00 68 L 7.35 3.93 0.00 1.54 1.45 0.39 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 69 L 7.28 4.64 0.00 1.63 1.79 0.77 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 70 P 0.00 4.61 0.00 2.11 2.01 0.00 3.89 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.16 0.00 71 E 8.51 2.75 0.00 1.80 1.73 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 2.07 2.13 0.00 72 D 7.73 4.54 0.00 3.03 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 73 P 0.00 4.47 0.00 2.28 2.16 0.00 3.72 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 2.14 2.17 0.00 74 F 8.82 4.20 0.00 3.04 3.05 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 75 W 8.21 4.21 0.00 3.62 3.32 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 0.00 0.00 0.00 76 L 7.93 4.32 0.00 2.04 1.78 1.02 1.10 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 77 E 7.83 4.07 0.00 1.94 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 2.09 2.15 0.00 *79 L 8.09 3.70 0.00 2.05 1.85 0.96 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 80 E 8.06 3.84 0.00 2.18 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 2.29 2.47 0.00 81 L 7.75 4.05 0.00 1.73 1.68 0.72 0.71 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 82 R 7.97 3.74 0.00 0.91 1.37 0.00 2.84 0.00 0.00 2.96 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.51 0.00 83 N 7.65 4.49 0.00 2.77 2.81 0.00 0.00 7.09 9.14 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 84 L 8.21 4.26 0.00 1.81 1.68 0.88 0.43 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 85 T 7.26 3.31 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 1.30 0.00 0.00 86 N 7.94 4.61 0.00 2.81 2.95 0.00 0.00 5.93 7.90 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 87 H 8.84 4.38 0.00 3.07 2.93 0.00 5.61 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 88 T 7.61 4.14 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 1.22 0.00 0.00 89 Y 6.97 4.08 0.00 3.10 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 90 D 7.27 4.57 0.00 2.62 2.53 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 91 E 8.83 3.96 0.00 2.03 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 2.35 2.36 0.00 92 A 7.97 3.99 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 93 L 9.26 3.81 0.00 1.68 1.83 0.87 0.89 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 94 A 7.74 3.97 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 95 E 8.15 3.84 0.00 2.13 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 2.37 2.40 0.00 96 R 7.75 3.88 0.00 2.08 2.01 0.00 3.23 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 97 I 7.92 3.80 2.00 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 1.37 0.71 0.81 0.00 0.00 98 Y 8.18 3.89 0.00 2.98 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 99 A 7.94 4.16 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 0.00 100 E 8.30 4.22 0.00 1.95 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 2.42 2.45 0.00 101 L 7.43 3.62 0.00 1.32 1.43 0.66 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 102 P 0.00 4.13 0.00 1.90 2.03 0.00 3.62 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.01 0.00 103 K 7.73 3.79 0.00 1.67 0.94 0.00 1.33 0.00 0.00 1.58 0.00 0.00 2.13 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.30 1.38 7.81 104 A 7.90 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 8.38 3.92 0.00 1.78 1.80 1.07 1.21 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 0.00 106 E 7.92 4.10 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 2.27 2.43 0.00 107 R 7.62 3.88 0.00 1.52 1.06 0.00 2.98 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.39 0.00 108 F 7.79 4.78 0.00 3.33 3.04 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 0.00 109 Q 8.44 4.11 0.00 2.29 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.47 2.75 0.00 110 E 8.41 4.03 0.00 2.10 2.27 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 2.46 2.49 0.00 111 L 8.22 4.18 0.00 2.28 2.15 0.80 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 112 L 8.14 3.96 0.00 1.92 1.74 0.98 0.71 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 0.00 113 R 7.83 3.93 0.00 2.08 2.19 0.00 3.27 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 1.67 1.72 0.00 114 R 7.94 4.28 0.00 2.05 1.87 0.00 3.20 0.00 0.00 3.34 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.80 0.00 115 L 7.56 3.96 0.00 1.63 1.66 0.88 0.41 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 0.00 116 E 7.96 4.08 0.00 2.13 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 2.23 2.30 0.00 * Residues marked with a * may have inaccurate shift predictions.