NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 I 4.3999 8.0249 121.4086 61.4505 38.7187 174.7038 8 T 4.1647 9.2868 125.9136 62.4989 69.4990 172.3141 9 L 4.8154 8.6440 127.2470 53.2022 43.9540 175.2923 10 H 4.6386 8.8275 125.2438 54.3276 30.5572 173.3101 11 P 4.1451 0.0000 0.0000 63.9749 31.7611 175.9708 12 D 4.4254 8.7155 121.2117 53.2051 43.0108 173.3674 13 D 4.3867 8.3094 117.8720 56.8204 40.2242 179.9152 14 R 4.5925 7.7185 115.5224 56.0185 30.5301 178.3754 15 S 4.1855 8.0902 119.0530 62.0111 62.7701 176.6095 16 E 3.9287 8.0635 120.6031 59.1776 29.2152 178.9695 17 Q 3.9163 7.9747 119.1458 59.6111 28.7281 178.2850 18 T 3.8043 8.0803 116.5840 66.5312 68.2152 176.2971 19 A 3.9943 8.0268 121.9894 55.3481 18.7159 179.2290 20 E 4.1279 8.2134 116.9457 59.4464 29.3947 180.1171 21 I 3.6133 7.6935 116.4372 62.0250 36.7741 177.8486 *23 R 4.2578 7.9113 122.0647 56.5422 31.5945 177.7880 24 R 3.9022 7.8825 115.4448 59.0136 30.2885 178.5683 25 F 4.1690 8.6116 120.8636 61.4832 39.4790 176.9594 26 N 4.3362 8.3033 115.5680 56.4926 38.2939 176.9889 27 D 4.3479 8.3645 120.4030 57.0622 40.7082 178.8003 28 V 3.4819 7.1733 119.8407 65.2547 31.0769 178.0841 29 F 3.9233 7.3917 116.6212 60.2458 38.7852 177.8699 30 Q 3.9891 8.0111 116.6746 58.5441 28.5887 177.1826 31 L 4.3193 8.0978 115.2108 54.1881 42.3421 175.8801 32 H 4.2232 7.2449 114.7017 55.5042 26.3806 175.7756 33 D 4.4765 8.1407 118.3845 52.1330 42.8109 172.7561 34 P 4.4837 0.0000 0.0000 62.5603 31.7562 177.8210 35 A 3.9030 8.1814 123.7235 55.8196 18.4356 180.0471 36 A 4.1565 7.8397 116.0671 53.9212 18.4184 179.4556 37 L 3.9720 7.8176 118.3753 57.5683 41.6735 177.6928 38 P 4.3458 0.0000 0.0000 65.5053 31.0913 178.3395 39 E 4.1199 7.7233 113.7454 58.3685 30.0014 177.5837 40 L 4.3544 8.0130 118.9388 55.1226 42.3323 175.9095 41 I 4.8592 7.2810 119.6959 58.8895 39.3953 175.5890 42 A 4.2130 8.7172 128.4808 51.7596 19.2307 177.7993 43 E 3.9297 8.9931 121.5199 59.0150 29.7029 178.3366 44 E 4.3573 7.9569 113.0824 55.8433 30.1913 175.0807 45 C 4.2413 7.7954 120.6127 60.7419 32.8237 172.6613 46 V 4.8668 8.6481 124.5620 61.1600 34.3444 173.9475 47 I 4.8825 8.6324 128.4156 59.6389 39.6406 174.4394 48 E 4.8076 8.9111 127.2077 54.5973 30.4915 175.6156 49 N 4.7165 8.6729 124.6106 52.9052 40.1817 176.1221 50 T 4.2350 8.5554 111.2457 63.3885 69.2474 174.9795 51 V 4.5437 7.3412 114.0283 58.8415 35.9682 172.3135 52 P 4.8691 0.0000 0.0000 60.9262 32.9277 175.2854 53 A 4.3480 8.4312 122.9955 52.1166 18.7590 176.2515 54 P 4.4449 0.0000 0.0000 64.9107 31.9191 177.1261 55 D 4.5637 8.1480 116.9373 53.2842 42.1691 176.1890 56 G 4.2057 8.3730 106.6050 45.7699 0.0000 172.9851 57 A 4.2324 8.2690 123.6857 51.9363 19.9325 176.1706 58 R 5.0052 8.1812 118.1187 54.9552 33.3038 174.1172 59 H 4.9403 9.2690 121.9290 53.8808 32.4042 172.3739 60 A 4.9489 8.6789 123.7179 51.3213 22.0441 176.5589 61 G 3.9736 9.2925 107.6870 45.8054 0.0000 174.4905 62 R 3.8981 8.5773 121.1311 59.3685 29.8870 178.8904 63 Q 3.9117 8.0655 118.3367 59.2685 29.1800 177.9346 64 A 3.9668 7.9522 121.1745 55.3816 18.4529 179.3065 65 C 3.6994 8.0230 115.1507 62.7692 28.1466 176.3289 66 V 3.7866 8.2588 120.2928 66.1814 31.1742 177.8186 67 Q 3.9583 8.3656 119.4337 59.0073 28.9103 178.0141 68 L 3.8543 7.8286 121.2264 58.1354 42.1139 179.0119 69 W 4.7006 8.1920 118.8708 59.9609 28.8326 178.7299 70 S 4.0974 8.7167 115.4239 61.4899 62.0390 176.6409 71 A 4.0536 7.8085 122.1724 55.1742 17.9328 179.3492 72 I 3.9388 7.9957 118.1515 64.7590 37.1618 178.6494 73 A 4.3671 8.7079 121.7871 54.2281 17.8470 178.6724 74 T 4.5461 7.2791 105.2012 61.2114 69.0763 173.9685 75 Q 4.1016 7.9467 124.2411 55.3349 29.1820 173.6836 76 P 4.1450 0.0000 0.0000 64.3593 31.6590 176.7593 77 G 3.9239 9.0062 109.4014 45.6743 0.0000 172.5359 78 T 4.8547 7.1965 108.3280 59.9941 71.8536 173.0521 79 R 4.8293 8.1197 117.6353 55.8192 33.4761 173.2523 80 F 5.5881 8.9201 117.1446 55.9349 42.4085 174.4280 81 D 5.1414 9.6396 123.0260 52.8708 43.0352 175.5318 82 L 4.7225 8.6795 123.4306 54.7516 42.0985 176.3797 83 E 4.3774 9.3983 124.7143 58.3630 30.5458 176.7427 84 E 4.7503 7.8415 116.7860 55.5736 33.4584 173.7531 85 T 5.1629 8.5883 123.1952 61.8290 71.4759 172.6496 86 F 5.3179 9.3093 129.4170 56.3028 42.2141 173.9834 87 V 4.6136 8.0064 125.7534 60.9911 34.7964 174.5044 88 A 4.4703 8.7649 129.2501 50.4688 22.0242 176.2881 89 G 3.7003 8.9384 114.2454 47.9446 0.0000 173.5872 90 D 4.8224 8.5688 124.5317 53.0349 40.9009 175.2550 91 R 5.1005 7.9031 118.3183 54.6195 33.9676 174.4049 92 A 5.1601 8.3764 121.1142 50.9897 22.5264 175.5149 93 T 4.9011 9.3428 110.0299 59.9675 72.1399 173.3665 94 I 4.9668 8.8260 124.7119 59.7799 40.4948 174.6594 95 R 4.7482 9.2295 127.8701 55.2090 31.6533 176.0277 96 W 5.8573 8.5080 119.0374 55.3299 32.7116 173.3109 97 R 5.1665 9.6190 121.1112 54.8807 32.3055 173.3583 98 Y 4.7938 9.4608 128.4776 56.0916 40.8849 174.7773 99 W 5.0542 8.6933 125.9158 54.1860 31.8560 176.6581 *101 A 4.4645 8.6708 121.8394 52.4328 19.6890 177.8706 102 D 4.5500 8.0852 112.5293 53.7720 39.6829 177.3153 103 G 4.0185 7.7835 108.9383 45.5914 0.0000 173.8027 104 N 4.7243 8.9625 118.0407 52.7995 39.4942 173.5920 105 S 4.8212 7.8397 113.3670 57.0431 66.6638 173.4884 106 V 4.5046 8.4054 118.7935 60.3304 34.8551 174.5337 107 R 4.6363 8.6593 122.5745 56.4314 31.9776 175.7031 108 G 3.3174 8.0217 108.2593 45.5412 0.0000 171.8379 109 V 4.6282 7.9888 117.7393 60.2504 35.1310 173.1901 110 N 5.4838 9.5005 120.6630 51.7737 41.1324 174.0256 111 L 4.9636 8.5726 122.5679 53.2420 45.0224 175.2787 *113 R 4.3131 8.2174 120.0512 56.5146 31.3410 174.4824 114 V 4.9621 8.7273 119.3873 59.7740 34.8850 175.2021 115 Q 4.3926 8.9562 123.9554 55.9856 32.0207 174.5298 116 D 4.0983 9.8929 123.8491 55.4600 38.5441 174.7184 117 G 3.9691 8.5832 104.3957 45.6472 0.0000 174.1653 118 R 4.8057 7.6917 117.8949 53.6793 33.8630 174.6589 119 I 4.2571 8.8931 122.0121 61.9808 37.5340 177.0678 120 V 4.2276 8.9776 120.2682 61.7605 34.0874 175.4991 121 E 5.2587 8.0068 119.9449 54.8915 32.7037 173.8022 122 A 5.1917 8.4449 127.1714 49.3228 23.8168 174.5637 *124 G 4.1594 8.4132 104.4450 46.7917 0.0000 171.8691 125 Y 5.1017 9.1705 119.8621 56.4494 42.9944 174.2865 126 V 4.9516 8.2000 112.8199 59.4200 36.3332 175.3468 127 K 4.1125 8.7200 121.7944 56.4094 32.6643 178.1291 128 G 3.7327 8.5272 111.5440 45.7164 0.0000 173.3620 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 7 I 8.02 4.40 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 1.37 1.09 0.89 0.00 0.00 8 T 9.29 4.16 4.55 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 1.46 0.00 0.00 9 L 8.64 4.82 0.00 1.46 1.53 0.88 1.11 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 10 H 8.83 4.64 0.00 3.21 3.22 0.00 5.97 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 P 0.00 4.15 0.00 1.98 1.95 0.00 3.52 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.05 0.00 12 D 8.72 4.43 0.00 2.54 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.31 4.39 0.00 2.69 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.72 4.59 0.00 1.81 1.92 0.00 3.27 0.00 0.00 3.33 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 15 S 8.09 4.19 0.00 3.85 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 16 E 8.06 3.93 0.00 1.99 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 2.38 2.34 0.00 17 Q 7.97 3.92 0.00 2.10 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.90 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 18 T 8.08 3.80 4.30 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 1.20 0.00 0.00 19 A 8.03 3.99 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 20 E 8.21 4.13 0.00 2.17 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 2.32 2.49 0.00 21 I 7.69 3.61 1.98 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 1.40 0.82 0.87 0.00 0.00 *23 R 7.91 4.26 0.00 1.97 2.15 0.00 3.19 0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 24 R 7.88 3.90 0.00 1.87 1.97 0.00 3.23 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 25 F 8.61 4.17 0.00 3.04 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 26 N 8.30 4.34 0.00 2.95 2.88 0.00 0.00 7.07 8.08 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 27 D 8.36 4.35 0.00 2.78 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 28 V 7.17 3.48 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 0.39 0.00 0.00 0.63 0.00 0.00 29 F 7.39 3.92 0.00 2.94 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 30 Q 8.01 3.99 0.00 2.04 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.83 0.00 0.00 0.00 0.00 0.00 2.63 2.51 0.00 31 L 8.10 4.32 0.00 1.61 1.66 0.88 1.16 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 32 H 7.24 4.22 0.00 3.24 3.39 0.00 5.56 0.00 0.00 0.00 0.00 8.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 D 8.14 4.48 0.00 2.66 2.40 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 34 P 0.00 4.48 0.00 2.21 2.14 0.00 3.71 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 2.01 1.92 0.00 35 A 8.18 3.90 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 36 A 7.84 4.16 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 37 L 7.82 3.97 0.00 1.76 1.86 0.97 0.74 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 P 0.00 4.35 0.00 2.17 2.13 0.00 3.78 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 39 E 7.72 4.12 0.00 2.22 2.09 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 2.57 2.29 0.00 40 L 8.01 4.35 0.00 1.94 1.78 0.97 0.73 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 41 I 7.28 4.86 2.00 0.00 0.00 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 1.54 0.88 1.07 0.00 0.00 42 A 8.72 4.21 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 43 E 8.99 3.93 0.00 2.02 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 2.39 2.33 0.00 44 E 7.96 4.36 0.00 2.11 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 2.22 2.23 0.00 45 C 7.80 4.24 0.00 3.32 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 46 V 8.65 4.87 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 0.90 0.00 0.00 0.92 0.00 0.00 47 I 8.63 4.88 1.60 0.00 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.16 0.74 0.00 0.00 48 E 8.91 4.81 0.00 1.73 1.81 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 2.21 2.20 0.00 49 N 8.67 4.72 0.00 2.86 2.68 0.00 0.00 6.62 7.33 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 50 T 8.56 4.23 4.32 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 1.42 0.00 0.00 51 V 7.34 4.54 2.09 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 0.82 0.00 0.00 0.94 0.00 0.00 52 P 0.00 4.87 0.00 2.21 2.16 0.00 3.77 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 2.00 1.94 0.00 53 A 8.43 4.35 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 54 P 0.00 4.44 0.00 2.20 2.20 0.00 3.75 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 1.98 1.98 0.00 55 D 8.15 4.56 0.00 2.66 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 56 G 8.37 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 57 A 8.27 4.23 1.20 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 58 R 8.18 5.01 0.00 1.72 1.68 0.00 3.15 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.58 0.00 59 H 9.27 4.94 0.00 2.87 3.02 0.00 5.61 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 A 8.68 4.95 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 61 G 9.29 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 62 R 8.58 3.90 0.00 2.10 1.98 0.00 3.13 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 63 Q 8.07 3.91 0.00 2.17 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.67 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 64 A 7.95 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 65 C 8.02 3.70 0.00 3.12 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 66 V 8.26 3.79 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 1.13 0.00 0.00 1.06 0.00 0.00 67 Q 8.37 3.96 0.00 2.26 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 68 L 7.83 3.85 0.00 1.55 1.28 0.79 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 69 W 8.19 4.70 0.00 3.76 3.10 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 0.00 0.00 0.00 70 S 8.72 4.10 0.00 4.05 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 71 A 7.81 4.05 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 72 I 8.00 3.94 2.37 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 1.52 1.29 1.21 0.00 0.00 73 A 8.71 4.37 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 T 7.28 4.55 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 1.24 0.00 0.00 75 Q 7.95 4.10 0.00 2.46 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.96 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 76 P 0.00 4.15 0.00 2.07 1.97 0.00 3.81 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 77 G 9.01 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 0.00 0.00 0.00 78 T 7.20 4.85 4.19 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 0.00 0.00 1.21 0.00 0.00 79 R 8.12 4.83 0.00 2.03 2.10 0.00 2.64 0.00 0.00 3.00 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.74 0.00 80 F 8.92 5.59 0.00 2.87 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 81 D 9.64 5.14 0.00 2.86 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 82 L 8.68 4.72 0.00 1.64 1.72 0.99 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 83 E 9.40 4.38 0.00 1.90 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 2.39 2.37 0.00 84 E 7.84 4.75 0.00 2.04 1.77 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 2.34 2.36 0.00 85 T 8.59 5.16 4.30 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 1.29 0.00 0.00 86 F 9.31 5.32 0.00 3.11 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 87 V 8.01 4.61 1.87 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 0.65 0.00 0.00 0.84 0.00 0.00 88 A 8.76 4.47 1.13 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 0.00 0.00 89 G 8.94 3.70 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 0.00 0.00 0.00 90 D 8.57 4.82 0.00 2.70 2.87 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 91 R 7.90 5.10 0.00 1.85 1.79 0.00 3.14 0.00 0.00 3.19 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 92 A 8.38 5.16 1.13 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 0.00 0.00 93 T 9.34 4.90 4.30 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 1.30 0.00 0.00 94 I 8.83 4.97 2.09 0.00 0.00 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 1.31 0.84 1.16 0.00 0.00 95 R 9.23 4.75 0.00 1.73 1.96 0.00 3.02 0.00 0.00 3.14 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.53 0.00 96 W 8.51 5.86 0.00 3.68 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 97 R 9.62 5.17 0.00 1.91 1.95 0.00 2.95 0.00 0.00 2.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 1.26 0.00 98 Y 9.46 4.79 0.00 2.69 2.88 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 0.00 0.00 0.00 99 W 8.69 5.05 0.00 3.08 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 *101 A 8.67 4.46 1.37 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 0.00 0.00 0.00 102 D 8.09 4.55 0.00 2.79 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 0.00 103 G 7.78 4.02 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 0.00 0.00 0.00 104 N 8.96 4.72 0.00 2.83 2.72 0.00 0.00 6.35 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 0.00 105 S 7.84 4.82 0.00 2.84 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 0.00 106 V 8.41 4.50 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 1.13 0.00 0.00 0.97 0.00 0.00 107 R 8.66 4.64 0.00 1.68 1.73 0.00 3.11 0.00 0.00 3.28 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.55 0.00 108 G 8.02 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 0.00 0.00 0.00 109 V 7.99 4.63 1.87 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 0.74 0.00 0.00 0.90 0.00 0.00 110 N 9.50 5.48 0.00 2.90 2.88 0.00 0.00 6.92 6.28 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 0.00 111 L 8.57 4.96 0.00 1.79 1.64 0.96 0.86 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 *113 R 8.22 4.31 0.00 1.93 1.86 0.00 3.13 0.00 0.00 3.35 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 114 V 8.73 4.96 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 0.66 0.00 0.00 0.96 0.00 0.00 115 Q 8.96 4.39 0.00 2.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.23 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 116 D 9.89 4.10 0.00 2.82 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 0.00 117 G 8.58 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 0.00 118 R 7.69 4.81 0.00 1.87 1.97 0.00 3.15 0.00 0.00 3.29 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.57 0.00 119 I 8.89 4.26 1.94 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.57 1.03 0.00 0.00 120 V 8.98 4.23 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 0.77 0.00 0.00 0.98 0.00 0.00 121 E 8.01 5.26 0.00 1.95 1.79 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 2.23 2.35 0.00 122 A 8.44 5.19 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 *124 G 8.41 4.16 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 0.00 125 Y 9.17 5.10 0.00 2.80 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 0.00 126 V 8.20 4.95 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 0.91 0.00 0.00 0.99 0.00 0.00 127 K 8.72 4.11 0.00 1.62 1.71 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.65 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.56 1.48 7.81 128 G 8.53 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 * Residues marked with a * may have inaccurate shift predictions.