NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2488 8.2644 123.5804 51.5627 19.7673 177.6246 2 K 3.8542 7.5145 119.2048 58.4677 32.9372 176.2444 3 Q 4.0964 7.9033 121.3073 58.1287 31.3806 176.8409 4 S 3.4609 7.8945 113.2725 58.8603 62.2484 173.0360 5 M 4.0034 8.6904 116.9746 57.0126 32.6089 178.0021 6 K 3.7867 7.8941 118.8804 60.7310 31.9431 177.9032 7 A 4.0774 7.9070 119.1579 54.4848 18.4248 179.0762 8 R 4.1868 7.7860 115.9791 58.6816 30.8459 178.5178 9 E 4.0768 7.9816 117.8121 59.5948 29.4147 179.3238 10 V 3.5479 7.3824 116.5154 65.6423 31.5514 176.7426 11 K 4.4148 7.9577 116.4127 56.9466 32.0657 177.1431 12 R 4.9278 7.6551 112.2092 55.8903 33.1184 177.2774 13 V 3.6135 8.4781 119.8233 64.8780 31.2638 177.9026 14 A 4.2757 8.0296 120.5365 53.2629 18.6502 177.4581 15 L 4.6099 7.7155 114.4574 54.2478 42.2196 178.1051 16 A 4.2999 7.8253 122.5555 54.8876 17.9442 180.2119 17 D 4.3068 8.0451 117.5857 56.8125 39.5348 178.8348 18 K 3.8816 7.7672 119.0592 58.8477 32.1459 178.6243 19 Y 4.5610 8.0034 116.7018 61.2497 38.0293 175.5652 20 F 4.9650 7.9910 120.3322 59.3475 45.6356 175.0249 21 A 3.8640 8.5385 124.4833 52.9345 19.2577 177.9908 22 K 4.3448 8.0751 115.0965 56.7500 34.1011 178.4963 23 R 3.9267 7.9077 117.4356 58.4912 30.3302 177.0685 24 A 4.0008 7.7025 120.4979 54.4921 18.5978 178.9982 25 E 3.9757 7.4920 111.0792 57.3070 28.6617 176.7031 26 L 4.5092 7.6129 120.5312 55.9801 44.0471 178.4451 27 K 3.6370 7.8936 117.1297 59.6684 32.6136 178.4106 28 A 4.0454 7.7261 120.0462 53.6220 19.1717 178.5297 29 I 3.8406 7.4596 118.1320 64.1004 37.7463 178.2108 30 I 3.6504 7.6956 113.3142 64.1959 36.9145 177.6505 31 S 4.3947 7.2238 114.0052 59.7792 62.5905 173.5962 32 D 4.6725 7.5504 118.8998 53.8966 41.7096 177.1883 33 V 3.6948 8.3535 116.1486 64.5927 31.3569 177.9217 34 N 4.3189 8.6868 119.4363 56.6011 38.4611 177.0504 *39 D 4.7260 7.8192 114.3138 51.7570 41.9623 181.6684 40 R 4.0712 8.4159 114.0402 56.9273 28.7571 176.7920 41 W 4.4471 8.2594 118.9067 56.8820 27.3323 176.0688 42 N 4.2293 8.6613 122.1936 56.1054 38.8029 176.2549 43 A 4.1430 8.1689 119.9895 54.3758 18.8641 178.0291 44 V 4.0120 7.3698 115.2239 64.7202 32.7816 177.4269 45 L 3.9194 7.7028 121.4127 58.1051 41.8668 179.5034 46 K 3.9628 8.1579 115.2023 59.0515 32.2108 176.8847 47 L 4.6199 7.7131 117.3785 54.7069 42.6339 177.1970 48 Q 4.2534 8.1064 118.1749 58.2742 29.0123 177.3025 49 T 4.0166 7.8847 104.4351 62.6720 68.4185 174.6074 50 L 4.1783 7.7291 124.1905 56.5135 42.4927 175.8573 51 P 4.2100 0.0000 0.0000 63.6766 31.8860 177.1924 52 R 4.0868 8.1328 123.3918 57.5296 29.6271 176.5502 53 D 4.3974 7.9148 114.8416 57.0651 41.6545 177.3694 54 S 3.8865 8.2963 111.9385 62.0392 63.4542 176.4685 55 S 3.4815 6.8054 112.4180 58.5847 58.9608 169.7634 56 P 4.5469 0.0000 0.0000 61.4555 32.6098 177.4199 57 S 4.4633 8.2751 116.1451 57.4995 62.1763 174.2564 58 R 4.5004 8.2103 121.6431 54.2414 31.6389 174.7871 59 Q 4.4754 8.4751 123.6697 54.3632 31.3593 174.2923 60 R 3.8086 9.3632 127.2139 57.3608 30.2884 176.9469 61 N 4.3023 8.6457 115.4921 52.6849 37.2133 174.6634 62 R 4.3453 7.3728 117.9793 55.3025 30.4287 174.5428 63 C 3.3110 8.0643 116.9307 57.6667 29.8966 176.4509 64 R 3.6136 7.1338 119.6505 58.3864 30.6792 176.7523 65 Q 4.2336 7.9751 113.7529 57.7382 29.0148 176.2530 66 T 4.6501 7.8272 116.3889 61.7059 71.7068 175.0799 67 G 3.8926 8.8065 114.7737 47.3354 0.0000 173.1247 68 R 4.7880 7.3335 113.7667 54.4593 32.7116 173.9320 69 P 4.5552 0.0000 0.0000 62.0398 30.7141 176.4210 70 H 4.3342 7.9580 128.9848 56.3900 29.0546 174.7269 71 G 4.2214 8.0600 112.7427 45.3433 0.0000 171.4650 72 F 4.9197 8.2602 119.8643 57.3449 40.4029 174.2545 73 L 4.2495 8.2958 130.2231 54.5919 39.2137 178.2507 74 R 3.9872 8.0959 122.5134 58.6261 30.4040 178.4761 75 K 3.7956 7.7125 117.5851 58.3609 32.1513 176.9431 76 F 4.9249 7.9425 113.9999 55.8154 41.0845 175.2071 77 G 3.8529 8.2940 107.9394 45.8367 0.0000 172.9955 78 L 4.9607 6.8446 117.8525 53.3023 43.8893 175.6401 79 S 5.3226 8.4169 113.2724 57.2780 63.8694 175.2850 80 R 4.0199 8.3480 121.7744 58.6521 29.8748 177.4263 81 I 4.0855 7.5867 109.1940 61.4225 38.3136 176.2163 82 K 4.1628 8.0646 122.0549 57.2089 32.8350 178.2427 83 V 3.3607 8.0208 118.6333 66.4964 31.3818 177.7720 84 R 3.9302 7.6110 119.3971 59.0536 30.2933 178.0542 85 E 4.0413 8.3251 116.0831 59.3869 29.2636 178.8202 86 A 4.1808 8.0887 120.9602 54.3047 18.1634 178.7993 87 A 4.2112 7.4846 116.6146 53.8495 18.4999 177.8348 88 M 4.6895 7.5858 115.9879 54.2270 33.0584 175.6918 89 R 4.3497 8.1867 114.5380 55.7675 30.0513 175.0913 90 G 3.9043 8.0418 107.7385 46.2090 0.0000 175.5343 91 E 3.9152 8.1806 119.2528 57.9694 29.7106 177.1566 92 I 4.2923 6.9133 118.7322 58.4968 36.7956 174.3532 93 P 4.3612 0.0000 0.0000 63.8799 31.2844 177.3995 94 G 3.9286 7.7409 105.6783 44.7821 0.0000 173.5295 95 L 3.9512 8.0709 122.4672 55.1267 40.5734 175.3508 96 K 4.4617 7.7659 125.5946 53.8681 35.5696 174.9267 97 K 3.5384 8.6372 119.2003 56.6130 32.0939 176.1747 98 A 3.5563 8.0911 128.8102 51.9065 18.6340 177.6805 99 S 4.1627 7.8437 115.1477 59.7152 63.6042 174.4472 100 W 4.5289 7.3939 122.8079 56.5381 28.1955 175.8733 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 1 A 8.26 4.25 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 2 K 7.51 3.85 0.00 1.80 1.74 0.00 1.77 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.49 7.81 3 Q 7.90 4.10 0.00 2.02 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 5.88 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 4 S 7.89 3.46 0.00 4.19 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 5 M 8.69 4.00 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.64 0.00 6 K 7.89 3.79 0.00 1.82 1.98 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.49 7.81 7 A 7.91 4.08 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 8 R 7.79 4.19 0.00 1.85 1.97 0.00 3.16 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.74 0.00 9 E 7.98 4.08 0.00 1.96 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 0.00 2.57 2.29 0.00 10 V 7.38 3.55 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 0.76 0.00 0.00 0.96 0.00 0.00 11 K 7.96 4.41 0.00 1.80 1.86 0.00 1.79 0.00 0.00 1.77 0.00 0.00 3.19 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.43 7.81 12 R 7.66 4.93 0.00 2.03 2.19 0.00 3.00 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 13 V 8.48 3.61 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 0.79 0.00 0.00 0.95 0.00 0.00 14 A 8.03 4.28 1.32 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 0.00 0.00 15 L 7.72 4.61 0.00 1.76 0.98 0.86 0.55 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 16 A 7.83 4.30 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 17 D 8.05 4.31 0.00 2.89 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 18 K 7.77 3.88 0.00 1.33 1.71 0.00 1.64 0.00 0.00 1.53 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.37 7.81 19 Y 8.00 4.56 0.00 3.03 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 20 F 7.99 4.97 0.00 3.08 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 21 A 8.54 3.86 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 22 K 8.08 4.34 0.00 1.72 1.76 0.00 1.64 0.00 0.00 1.53 0.00 0.00 2.80 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.30 1.28 7.81 23 R 7.91 3.93 0.00 1.90 1.94 0.00 3.42 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 24 A 7.70 4.00 0.75 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 25 E 7.49 3.98 0.00 1.99 1.92 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 2.22 2.31 0.00 26 L 7.61 4.51 0.00 1.61 1.41 0.87 0.38 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 27 K 7.89 3.64 0.00 1.85 1.96 0.00 1.51 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.39 7.81 28 A 7.73 4.05 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 29 I 7.46 3.84 1.78 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.85 0.88 0.00 0.00 30 I 7.70 3.65 0.56 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.18 0.37 0.00 0.00 31 S 7.22 4.39 0.00 4.14 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 32 D 7.55 4.67 0.00 2.91 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 33 V 8.35 3.69 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 0.79 0.00 0.00 0.95 0.00 0.00 34 N 8.69 4.32 0.00 2.89 2.90 0.00 0.00 7.06 7.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *39 D 7.82 4.73 0.00 2.72 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 40 R 8.42 4.07 0.00 2.03 2.16 0.00 3.33 0.00 0.00 3.42 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.76 0.00 41 W 8.26 4.45 0.00 3.31 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 42 N 8.66 4.23 0.00 2.70 2.89 0.00 0.00 7.21 7.96 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 43 A 8.17 4.14 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 44 V 7.37 4.01 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 0.91 0.00 0.00 0.95 0.00 0.00 45 L 7.70 3.92 0.00 1.85 1.72 0.94 0.47 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 46 K 8.16 3.96 0.00 1.91 1.98 0.00 1.62 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.55 1.51 7.81 47 L 7.71 4.62 0.00 1.67 1.74 0.94 1.00 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 48 Q 8.11 4.25 0.00 2.26 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.10 0.00 0.00 0.00 0.00 0.00 2.43 2.32 0.00 49 T 7.88 4.02 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 1.27 0.00 0.00 50 L 7.73 4.18 0.00 1.62 1.73 0.92 0.98 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 51 P 0.00 4.21 0.00 2.00 2.12 0.00 3.95 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.97 0.00 52 R 8.13 4.09 0.00 1.91 2.03 0.00 3.35 0.00 0.00 3.10 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.51 0.00 53 D 7.91 4.40 0.00 2.58 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 54 S 8.30 3.89 0.00 3.46 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 55 S 6.81 3.48 0.00 3.90 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 56 P 0.00 4.55 0.00 2.28 2.08 0.00 3.73 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.30 0.00 57 S 8.28 4.46 0.00 3.87 3.89 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 0.00 0.00 0.00 0.00 58 R 8.21 4.50 0.00 1.82 1.82 0.00 3.13 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.56 0.00 59 Q 8.48 4.48 0.00 1.96 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.13 0.00 0.00 0.00 0.00 0.00 2.24 2.39 0.00 60 R 9.36 3.81 0.00 1.82 1.92 0.00 3.45 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 61 N 8.65 4.30 0.00 2.85 2.66 0.00 0.00 6.68 7.28 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 62 R 7.37 4.35 0.00 1.70 1.66 0.00 3.14 0.00 0.00 3.36 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 63 C 8.06 3.31 0.00 3.15 2.41 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 64 R 7.13 3.61 0.00 2.16 1.96 0.00 3.27 0.00 0.00 3.30 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 65 Q 7.98 4.23 0.00 2.24 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.46 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 66 T 7.83 4.65 4.31 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 1.28 0.00 0.00 67 G 8.81 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 R 7.33 4.79 0.00 1.93 1.86 0.00 3.07 0.00 0.00 3.29 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 69 P 0.00 4.56 0.00 2.20 2.10 0.00 3.76 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 1.92 0.00 70 H 7.96 4.33 0.00 3.24 3.27 0.00 5.83 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 G 8.06 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 0.00 0.00 0.00 0.00 72 F 8.26 4.92 0.00 2.92 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 73 L 8.30 4.25 0.00 1.77 1.79 1.02 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.10 3.99 0.00 1.74 1.98 0.00 3.24 0.00 0.00 3.20 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.79 0.00 75 K 7.71 3.80 0.00 1.29 0.81 0.00 1.41 0.00 0.00 1.05 0.00 0.00 2.89 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.40 1.03 7.81 76 F 7.94 4.92 0.00 2.98 2.78 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 77 G 8.29 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 78 L 6.84 4.96 0.00 1.84 1.75 0.86 0.48 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 79 S 8.42 5.32 0.00 4.27 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 80 R 8.35 4.02 0.00 1.90 2.28 0.00 3.30 0.00 0.00 3.34 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.61 0.00 81 I 7.59 4.09 1.78 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 0.75 0.59 0.00 0.00 82 K 8.06 4.16 0.00 1.93 1.94 0.00 1.56 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.54 1.41 7.81 83 V 8.02 3.36 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 0.75 0.00 0.00 0.83 0.00 0.00 84 R 7.61 3.93 0.00 1.98 1.90 0.00 3.18 0.00 0.00 3.20 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 85 E 8.33 4.04 0.00 2.21 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 0.00 2.33 2.36 0.00 86 A 8.09 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 87 A 7.48 4.21 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 88 M 7.59 4.69 0.00 1.91 2.08 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.41 0.00 89 R 8.19 4.35 0.00 1.84 1.94 0.00 3.08 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.47 0.00 90 G 8.04 3.90 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 0.00 0.00 0.00 91 E 8.18 3.92 0.00 1.93 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 2.31 2.27 0.00 92 I 6.91 4.29 1.68 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.53 0.76 0.00 0.00 93 P 0.00 4.36 0.00 2.06 2.11 0.00 3.68 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 94 G 7.74 3.93 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 95 L 8.07 3.95 0.00 1.50 1.58 0.81 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 96 K 7.77 4.46 0.00 1.63 1.57 0.00 1.83 0.00 0.00 1.60 0.00 0.00 2.87 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.25 1.36 7.81 97 K 8.64 3.54 0.00 1.65 1.66 0.00 1.60 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.36 1.43 7.81 98 A 8.09 3.56 0.09 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 0.00 0.00 99 S 7.84 4.16 0.00 4.01 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 0.00 100 W 7.39 4.53 0.00 3.34 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 * Residues marked with a * may have inaccurate shift predictions.