NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.4382 8.1727 120.0879 56.6491 34.0603 174.0118 3 S 4.9999 8.4761 116.7755 56.3056 65.8316 171.2752 4 I 5.0035 8.8283 125.2301 59.5046 42.1790 174.2213 5 T 4.5758 9.0701 119.1366 61.3789 70.0665 175.8105 6 T 4.0556 8.6122 113.0658 65.0762 68.7795 176.4008 7 D 4.2135 7.9489 121.2884 57.2118 40.6937 178.3979 8 E 3.9616 7.8680 117.8899 59.0905 29.7476 178.8588 9 L 3.9431 8.0793 120.4665 58.1104 42.1428 178.9586 10 K 3.8120 8.3236 118.8256 59.7855 31.9316 178.9331 11 N 4.2713 8.1663 116.3317 56.0023 38.4443 176.9859 12 K 4.4782 7.8835 120.0886 57.3443 32.0157 178.8929 13 L 4.1491 7.8982 119.3881 57.0722 41.5927 178.2684 14 L 4.2972 7.6071 116.9739 54.5916 41.7000 176.5242 15 E 4.5557 7.2933 119.5258 54.8212 31.2121 177.4213 16 S 4.1229 8.5287 116.7154 61.5811 63.1437 175.3091 17 K 4.2209 7.7539 118.9265 55.5415 33.2489 174.9916 18 P 4.4376 0.0000 0.0000 62.7599 32.1054 176.0236 19 V 4.2268 8.0643 113.6778 60.2912 33.3380 175.7251 20 Q 4.4806 8.5529 122.2605 55.1766 29.9296 174.5089 21 I 5.0832 8.4235 125.3568 59.3822 40.3486 174.8192 22 V 4.7398 9.0609 127.0556 61.1522 34.2832 173.5069 23 D 5.1292 9.0472 128.7392 53.0709 42.0664 176.6041 24 V 5.1705 8.4086 118.1935 60.5109 33.0470 176.3642 25 R 4.0245 8.1170 120.6641 55.8570 30.6884 176.9935 26 T 4.1731 8.7837 110.8852 61.5644 70.6982 175.3188 27 D 4.3377 8.5340 121.1609 57.5758 40.5617 178.8893 28 E 3.9979 8.0799 117.8711 59.3709 29.5515 178.8719 29 E 4.1569 7.7193 117.5121 59.6035 29.7937 179.2469 30 T 4.1345 7.9284 107.7627 63.7595 69.2015 176.5053 31 A 4.3604 7.6472 125.7476 50.7987 18.3472 177.3185 *33 G 3.7979 7.6272 108.3069 47.4769 0.0000 172.6423 34 Y 5.0386 7.8855 120.7562 54.8111 42.6503 174.1488 35 I 3.9988 8.1814 120.3536 60.2780 38.2067 174.4128 36 P 4.3009 0.0000 0.0000 64.5715 31.5243 176.4279 37 N 4.5562 9.2245 118.5843 52.9521 36.3653 174.4551 38 A 4.3653 7.9056 120.3889 51.8542 19.3587 177.6569 39 K 4.0485 9.0590 121.2220 56.2094 33.5408 176.3659 40 L 4.6538 8.3165 125.1716 53.5985 42.6124 176.6133 41 I 4.3984 8.5393 125.5966 57.8239 39.5917 175.5058 42 P 5.0846 0.0000 0.0000 60.9334 30.5876 179.2929 *44 D 4.4135 8.6578 123.1292 54.1443 41.1499 177.0200 45 T 4.2882 7.8556 109.4091 61.9678 69.1177 176.5332 46 I 3.7035 7.4762 123.6186 64.3223 37.0176 176.0016 47 P 4.8875 0.0000 0.0000 64.0797 31.2362 177.1705 48 D 4.8526 7.7506 116.4579 54.1884 41.2719 176.0105 49 N 5.1730 8.3506 117.7836 52.7351 40.4070 176.6624 50 L 4.1525 8.4111 121.0348 58.2687 41.8262 178.7805 51 N 4.6681 8.1189 112.3731 54.2177 38.4251 175.7628 52 S 4.2595 8.0840 114.6927 59.3295 63.3382 174.1133 53 F 4.5866 7.9926 119.2688 55.2384 41.3794 174.2994 54 N 5.2244 9.6383 120.6973 50.9424 39.9262 175.2477 55 K 4.4212 8.6052 116.4368 57.4845 32.4267 177.6283 56 N 4.6788 7.9108 114.6036 53.6104 39.3694 174.9548 57 E 4.5256 7.6296 115.8600 54.6311 31.5815 174.9891 58 I 4.3062 7.6986 121.2327 60.2118 38.9407 174.7709 59 Y 4.7924 8.4555 123.7450 56.4192 41.0274 174.1615 60 Y 4.9503 9.3001 122.7011 56.7953 40.0519 174.5521 61 I 5.0909 9.0275 126.6159 59.5877 39.5593 175.2385 62 V 4.9283 9.0701 126.9118 60.2449 34.3983 174.9763 63 C 5.1266 8.2149 116.5848 57.0857 32.1336 173.8373 64 A 4.0505 8.8842 120.7624 55.5486 18.0577 179.0211 65 G 4.0787 7.8792 98.8601 45.1484 0.0000 173.0850 66 G 4.2124 8.6209 107.6146 44.8473 0.0000 175.0435 67 V 3.9856 7.4619 118.4198 64.9560 32.2127 177.7647 68 R 3.9648 7.9771 117.3483 59.6144 30.0854 179.0927 69 S 4.1866 8.0890 113.0676 61.2505 63.1668 176.2804 70 A 4.0323 7.9331 124.0252 54.9550 18.1179 179.7711 71 K 3.9715 7.9903 116.6031 59.5432 32.1162 179.5888 72 V 3.6144 7.7414 118.2411 65.8721 31.3383 178.2081 73 V 3.5476 7.9927 118.1234 65.9661 31.3824 177.6376 74 E 3.8861 8.1276 118.7783 59.3912 29.5319 178.1251 75 Y 3.9851 8.0672 119.5722 60.7165 38.8836 178.1181 76 L 3.7147 8.1973 120.0832 57.6752 41.5367 179.3064 77 E 4.0126 8.3545 118.5319 59.2844 29.2095 179.0801 78 A 4.0645 7.8446 119.1447 53.8499 18.3940 178.2035 79 N 4.7034 7.1188 112.6183 52.4023 39.1121 175.1766 80 G 3.8465 7.9313 108.1959 45.6039 0.0000 173.2564 81 I 4.5867 7.3184 119.3183 58.7894 39.9047 175.4131 82 D 4.9044 9.0589 126.2799 54.0237 41.6185 175.1909 83 A 5.1889 8.7199 124.1815 50.2826 22.8580 175.1390 84 V 4.4842 8.5700 119.5305 60.9530 35.1396 174.2058 85 N 4.7992 9.1460 127.2576 53.5481 40.5719 174.0309 86 V 4.5809 8.6650 126.7740 61.4263 32.2793 175.0583 87 E 4.1892 9.2192 129.1301 57.7249 29.9438 178.6368 88 G 3.8495 9.0996 110.3734 44.7560 0.0000 175.3307 89 G 4.1722 7.1670 105.8791 46.1814 0.0000 174.8586 *91 H 4.5913 7.8444 115.1648 55.2946 31.9645 175.9814 92 A 4.3455 8.2166 120.6778 54.8465 18.4629 178.6070 93 W 3.9346 8.2676 125.3777 58.8402 30.8835 176.4488 94 G 3.9742 7.9522 104.1155 44.8069 0.0000 172.6746 95 D 5.0300 8.4319 116.7502 52.9056 39.6791 175.2222 96 E 4.5771 8.1535 118.8578 56.4672 31.5004 176.5670 97 G 3.9886 8.8036 109.7186 46.2954 0.0000 173.3800 98 L 4.5537 7.0675 119.3051 53.5768 43.2991 175.6778 99 E 4.6181 8.7695 122.0020 54.4311 32.1119 174.6532 100 I 4.8695 7.8503 118.0983 58.7954 40.4727 174.7079 101 K 4.3024 8.9280 125.9777 55.7365 33.3784 176.9409 102 S 4.2974 8.7685 119.0910 58.8510 62.6894 174.1725 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 2 K 8.17 4.44 0.00 1.73 1.82 0.00 1.61 0.00 0.00 1.80 0.00 0.00 2.79 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.44 1.46 7.81 3 S 8.48 5.00 0.00 3.94 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 4 I 8.83 5.00 2.07 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 1.31 1.19 1.11 0.00 0.00 5 T 9.07 4.58 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 1.28 0.00 0.00 6 T 8.61 4.06 4.28 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 1.56 0.00 0.00 7 D 7.95 4.21 0.00 2.66 2.68 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 0.00 0.00 0.00 0.00 8 E 7.87 3.96 0.00 2.13 2.00 0.00 0.00 0.00 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 2.30 0.00 9 L 8.08 3.94 0.00 1.76 1.98 0.43 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 10 K 8.32 3.81 0.00 1.68 1.60 0.00 1.20 0.00 0.00 1.03 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.37 0.62 7.81 11 N 8.17 4.27 0.00 2.92 2.84 0.00 0.00 7.04 6.97 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 12 K 7.88 4.48 0.00 1.88 1.79 0.00 1.28 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.71 1.45 7.81 13 L 7.90 4.15 0.00 1.68 1.76 1.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 14 L 7.61 4.30 0.00 1.75 1.70 0.90 0.92 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 15 E 7.29 4.56 0.00 2.26 1.86 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 2.27 2.26 0.00 16 S 8.53 4.12 0.00 3.86 3.92 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 17 K 7.75 4.22 0.00 1.87 1.82 0.00 1.59 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.44 7.81 18 P 0.00 4.44 0.00 2.19 2.11 0.00 3.49 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.11 0.00 19 V 8.06 4.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.94 0.00 0.00 20 Q 8.55 4.48 0.00 1.94 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.87 0.00 0.00 0.00 0.00 0.00 2.31 2.04 0.00 21 I 8.42 5.08 1.87 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.87 0.83 0.00 0.00 22 V 9.06 4.74 2.25 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 1.12 0.00 0.00 1.07 0.00 0.00 23 D 9.05 5.13 0.00 2.73 2.44 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 24 V 8.41 5.17 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 0.92 0.00 0.00 1.01 0.00 0.00 25 R 8.12 4.02 0.00 1.95 1.98 0.00 3.29 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 1.67 1.63 0.00 26 T 8.78 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 1.24 0.00 0.00 27 D 8.53 4.34 0.00 2.69 2.74 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 E 8.08 4.00 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 2.32 2.40 0.00 29 E 7.72 4.16 0.00 2.09 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 2.32 0.00 30 T 7.93 4.13 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 1.33 0.00 0.00 31 A 7.65 4.36 1.40 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 0.00 0.00 0.00 *33 G 7.63 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 34 Y 7.89 5.04 0.00 3.00 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 35 I 8.18 4.00 1.58 0.00 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 -0.15 0.66 0.00 0.00 36 P 0.00 4.30 0.00 2.07 2.02 0.00 3.79 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.07 0.00 37 N 9.22 4.56 0.00 2.94 3.07 0.00 0.00 7.04 7.35 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 38 A 7.91 4.37 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 39 K 9.06 4.05 0.00 1.63 1.62 0.00 1.54 0.00 0.00 1.34 0.00 0.00 3.15 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.39 7.81 40 L 8.32 4.65 0.00 1.32 1.44 0.14 0.34 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 41 I 8.54 4.40 1.89 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.94 0.94 0.00 0.00 42 P 0.00 5.08 0.00 2.26 1.69 0.00 3.86 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.06 0.00 *44 D 8.66 4.41 0.00 2.76 2.80 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 45 T 7.86 4.29 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 1.18 0.00 0.00 46 I 7.48 3.70 1.64 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.83 0.73 0.00 0.00 47 P 0.00 4.89 0.00 1.97 2.14 0.00 3.70 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.40 0.00 48 D 7.75 4.85 0.00 2.80 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 49 N 8.35 5.17 0.00 2.76 2.76 0.00 0.00 6.97 7.43 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 50 L 8.41 4.15 0.00 1.76 1.78 0.98 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 51 N 8.12 4.67 0.00 2.71 2.87 0.00 0.00 6.92 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 52 S 8.08 4.26 0.00 3.47 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 53 F 7.99 4.59 0.00 2.79 2.50 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 54 N 9.64 5.22 0.00 2.94 2.98 0.00 0.00 7.01 7.68 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 55 K 8.61 4.42 0.00 1.80 1.92 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.49 7.81 56 N 7.91 4.68 0.00 2.78 2.87 0.00 0.00 6.85 7.54 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 57 E 7.63 4.53 0.00 1.67 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 2.20 2.49 0.00 58 I 7.70 4.31 1.71 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 1.25 0.45 0.36 0.00 0.00 59 Y 8.46 4.79 0.00 2.98 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 60 Y 9.30 4.95 0.00 2.94 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 61 I 9.03 5.09 1.94 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.34 1.01 0.00 0.00 62 V 9.07 4.93 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 0.72 0.00 0.00 0.92 0.00 0.00 63 C 8.21 5.13 0.00 3.07 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 64 A 8.88 4.05 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 65 G 7.88 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 66 G 8.62 4.21 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 0.00 0.00 0.00 67 V 7.46 3.99 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 1.09 0.00 0.00 0.95 0.00 0.00 68 R 7.98 3.96 0.00 1.90 1.99 0.00 3.17 0.00 0.00 3.38 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.71 0.00 69 S 8.09 4.19 0.00 4.24 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 0.00 70 A 7.93 4.03 1.40 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 0.00 0.00 0.00 71 K 7.99 3.97 0.00 1.92 1.87 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.50 7.81 72 V 7.74 3.61 2.24 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 1.07 0.00 0.00 0.93 0.00 0.00 73 V 7.99 3.55 2.24 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 1.05 0.00 0.00 1.01 0.00 0.00 74 E 8.13 3.89 0.00 2.12 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 0.00 2.32 2.31 0.00 75 Y 8.07 3.99 0.00 3.12 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 76 L 8.20 3.71 0.00 1.57 1.40 0.60 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 77 E 8.35 4.01 0.00 2.05 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 2.44 2.44 0.00 78 A 7.84 4.06 1.22 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 79 N 7.12 4.70 0.00 2.55 2.59 0.00 0.00 7.10 7.53 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 80 G 7.93 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 81 I 7.32 4.59 1.79 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.64 0.82 0.00 0.00 82 D 9.06 4.90 0.00 2.94 2.58 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 0.00 0.00 0.00 83 A 8.72 5.19 1.15 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 84 V 8.57 4.48 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.75 0.00 0.00 85 N 9.15 4.80 0.00 2.93 2.72 0.00 0.00 6.43 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 86 V 8.67 4.58 2.26 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 1.06 0.00 0.00 1.11 0.00 0.00 87 E 9.22 4.19 0.00 2.00 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 2.39 2.43 0.00 88 G 9.10 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 89 G 7.17 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 0.00 0.00 0.00 0.00 *91 H 7.84 4.59 0.00 3.38 3.56 0.00 5.70 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 92 A 8.22 4.35 1.40 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 0.00 0.00 0.00 93 W 8.27 3.93 0.00 3.56 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.95 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 0.00 0.00 0.00 95 D 8.43 5.03 0.00 2.77 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 96 E 8.15 4.58 0.00 2.04 1.88 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 0.00 2.31 2.29 0.00 97 G 8.80 3.99 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 0.00 0.00 0.00 0.00 98 L 7.07 4.55 0.00 1.53 1.67 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 99 E 8.77 4.62 0.00 1.72 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 0.00 0.00 0.00 1.92 2.08 0.00 100 I 7.85 4.87 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 1.36 0.82 0.85 0.00 0.00 101 K 8.93 4.30 0.00 1.95 1.97 0.00 1.63 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.73 1.69 7.81 102 S 8.77 4.30 0.00 3.89 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 * Residues marked with a * may have inaccurate shift predictions.