NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 S 4.3787 8.3344 115.4070 57.7831 64.5786 172.4043 -1 N 4.8160 8.0069 117.9842 51.9106 42.3052 171.2486 0 A 4.8470 7.8660 123.7923 50.7582 22.0936 177.2277 0 S 4.9970 7.9360 115.6923 56.5582 66.7936 174.0277 3 L 4.1439 7.8025 120.2359 54.8462 42.2087 176.3928 4 E 4.0879 8.8935 123.7772 56.6682 30.6897 175.2647 5 K 4.8743 8.8198 129.0827 55.6898 33.0227 175.4863 6 L 4.7015 8.7687 128.5880 53.2251 43.6393 176.3148 7 D 4.8305 8.2293 122.0860 51.9344 42.0066 177.3648 8 T 3.8502 8.5822 115.3801 66.8850 68.1381 176.6842 9 N 4.3431 8.0756 117.7541 56.8482 38.6284 177.5302 10 T 3.8733 8.3910 116.8915 65.9173 68.4570 176.8009 11 F 3.6532 8.3001 123.0937 61.2431 39.3539 176.8364 12 E 4.2194 8.6191 118.3822 59.5437 29.2277 179.1062 13 Q 4.1613 8.0655 120.7572 58.7183 29.0471 178.5248 14 L 3.8557 7.7574 119.8172 57.4984 41.8401 179.4840 15 I 3.2150 7.4317 120.0261 63.5484 36.6310 177.4382 16 Y 4.4158 7.3406 115.5631 60.1024 39.2634 177.0307 17 D 4.5085 8.1041 118.9509 57.5749 41.0508 178.4500 18 E 4.1474 8.3802 116.9156 56.6157 29.9744 177.1475 19 G 4.2746 8.0843 106.7459 46.0044 0.0000 173.3957 20 K 4.2022 8.0166 118.8655 56.1941 33.5763 176.5869 21 A 4.4485 8.5244 126.2354 52.0295 19.5437 176.1167 22 C 3.6899 8.1545 116.3532 57.3573 33.6975 172.6852 23 L 4.9391 8.4246 119.1862 54.1653 43.4506 176.1424 24 V 4.7564 8.3142 119.4679 60.6123 35.6371 173.2605 *26 F 4.9352 8.5585 117.3420 58.0387 40.6142 174.5791 27 S 4.9356 9.0734 118.2059 57.6965 66.9615 172.9409 28 R 4.9786 8.4043 114.8303 54.1777 32.1233 177.0863 29 K 4.0636 8.8987 119.2469 59.6143 32.1533 177.8720 30 N 4.6537 8.0242 113.1258 53.5196 39.0853 174.6484 31 C 4.4708 7.6296 119.4028 58.6072 32.7135 173.5620 32 H 4.1322 8.8794 125.7467 58.9927 28.9395 177.5463 33 V 3.7621 7.8253 119.4408 66.3647 31.4547 177.3555 34 C 4.0468 8.2568 115.8595 63.3496 27.7365 176.1074 35 Q 4.0805 7.9068 117.9135 58.1671 28.3433 178.0718 36 K 4.1051 7.6795 120.1361 59.1005 32.5786 178.6171 37 V 3.8131 7.6376 118.2024 65.6702 31.5115 177.8768 38 T 3.8391 7.8144 115.7316 66.3640 68.4055 174.7668 39 P 4.2690 0.0000 0.0000 65.0066 31.3019 178.8800 40 V 3.6623 7.6582 117.2996 65.7496 31.4395 178.0789 41 L 4.1226 7.8360 118.3412 57.8780 41.3925 179.1091 42 E 3.8281 8.0801 117.5706 59.1645 29.2469 178.7301 43 E 4.0113 8.1691 119.3551 59.3906 29.8891 179.0036 44 L 4.0892 7.8917 118.9329 57.5260 41.7465 179.3484 45 R 2.8407 7.2914 118.8969 58.9315 29.5982 178.2172 46 L 3.8995 7.1361 117.4613 58.0992 41.6700 179.0718 47 N 4.3523 7.7016 114.7265 55.6691 38.8407 176.2925 48 Y 4.5835 7.5711 115.0835 58.0067 38.2245 177.3286 49 E 3.8218 7.8163 120.8899 59.6149 30.0795 178.1301 50 E 4.3740 8.1273 116.6372 57.2008 30.0562 177.2338 51 S 4.8174 8.4083 112.1500 57.8502 64.7845 173.9636 52 F 4.8350 8.1242 123.0312 56.8182 42.2589 173.8925 53 G 3.3279 8.6247 114.3237 45.9583 0.0000 172.6940 54 F 4.9841 8.0782 121.3979 55.7025 40.9695 173.7896 55 Y 5.2427 8.9105 121.5379 56.1768 42.0952 174.2693 56 Y 4.9743 9.0273 121.1229 55.9968 42.4569 173.9427 57 V 4.0377 7.9419 125.8419 60.6126 34.3876 173.6947 58 D 4.7553 7.7416 128.2413 54.0572 41.3730 176.9695 59 V 3.7298 8.8021 120.9318 63.5369 31.3877 177.7486 60 E 4.0899 8.5173 119.5583 58.0172 29.7440 177.4256 61 E 4.2850 8.1887 116.8134 57.1503 31.2499 176.4767 62 E 4.6864 7.8748 118.6161 55.1439 29.5262 177.2437 63 K 4.0699 7.8626 121.5407 59.8031 32.6329 179.3525 64 T 3.9238 7.8650 109.6519 64.7274 68.6315 176.2944 65 L 3.9337 7.9033 122.8627 57.6535 42.0013 178.3711 66 F 4.3467 8.4317 120.7612 61.5848 39.2277 176.9679 67 Q 3.8834 8.3068 119.0721 59.2226 28.6463 178.2911 68 R 3.7723 7.9316 118.2253 58.7117 30.1229 178.0783 69 F 4.2693 7.4715 114.7571 56.5082 39.2321 175.5866 70 S 3.6513 7.8620 112.4483 59.0057 61.1723 171.4174 71 L 4.1289 6.8369 117.8117 53.7478 41.8672 177.2808 72 K 4.6307 9.4824 121.1654 54.1952 33.0077 175.8785 73 G 4.5274 7.5997 106.9103 45.6737 0.0000 172.5066 74 V 4.7195 7.5019 112.6459 58.5362 35.8995 173.7777 75 P 4.9481 0.0000 0.0000 63.1903 32.7316 175.1696 76 Q 4.9151 8.9481 119.5587 54.4072 33.1159 174.5562 77 I 4.7103 8.5455 123.3220 59.7767 39.6948 174.3369 78 L 5.2154 8.9847 127.6102 53.2692 44.3044 175.1789 79 Y 5.0808 8.9552 120.3900 56.3399 41.0845 174.8746 80 F 5.8586 8.7360 120.1840 55.0334 44.0143 173.9339 81 K 4.9514 8.7752 119.8208 57.3734 34.9176 175.2327 82 D 4.1942 9.8083 124.7154 55.5155 38.8672 175.2404 83 G 4.1046 8.5170 105.6359 45.6622 0.0000 174.0806 84 E 4.6871 8.0453 119.9201 55.0508 30.9387 174.7845 85 Y 4.8478 8.8775 123.8649 57.2941 38.9901 174.8176 86 K 4.4135 8.8716 127.0760 56.3672 34.3652 176.5943 87 G 3.8617 7.3947 105.6725 46.0838 0.0000 171.9314 88 K 5.8027 8.5100 120.3972 55.2443 35.6770 174.5496 *90 A 4.2560 8.4453 123.3932 53.0471 19.8323 178.4585 91 G 3.7313 8.5908 107.1080 44.9507 0.0000 173.5274 92 D 4.4408 8.6159 122.0143 54.3545 40.5860 176.9593 93 V 4.3351 8.0769 119.7998 60.0016 33.8472 175.8797 94 E 4.6538 8.0960 122.0848 54.4405 32.5103 176.5565 95 D 4.4641 8.7050 125.2478 57.0728 39.1124 178.9289 96 D 4.3863 8.0651 120.0510 55.6855 39.3521 177.5756 97 E 3.8548 8.2287 119.6277 59.3123 29.5654 178.6977 98 V 3.8183 7.5894 116.2405 66.2520 31.9721 177.5535 99 E 3.9990 8.7900 118.5665 59.0888 29.1747 179.2108 100 Q 3.8139 8.1997 118.2095 56.5570 28.9467 177.8365 *102 I 3.4263 7.7743 120.2856 60.5516 39.2359 177.8629 103 A 3.8235 7.6216 121.8126 55.3917 17.8815 179.4997 104 D 4.2910 7.7535 116.2673 57.1055 40.9727 179.0060 105 V 3.7718 7.5421 118.4872 66.0766 31.5506 178.0152 106 L 4.1192 8.4037 118.0178 57.4479 41.5181 178.6233 107 E 4.2181 8.1386 116.6846 55.8738 29.9212 175.8106 108 D 4.7708 7.6622 123.1420 54.6204 42.8748 173.0333 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 S 8.33 4.38 0.00 3.98 4.01 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 -1 N 8.01 4.82 0.00 2.68 2.67 0.00 0.00 6.96 7.08 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 A 7.87 4.85 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 0 S 7.94 5.00 0.00 3.63 3.64 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 3 L 7.80 4.14 0.00 1.70 1.76 0.97 1.03 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 4 E 8.89 4.09 0.00 2.21 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 0.00 2.58 2.43 0.00 5 K 8.82 4.87 0.00 1.95 1.74 0.00 1.92 0.00 0.00 1.71 0.00 0.00 2.70 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.25 1.20 7.81 6 L 8.77 4.70 0.00 1.41 1.49 0.47 0.69 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 7 D 8.23 4.83 0.00 3.04 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 8 T 8.58 3.85 4.24 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 1.23 0.00 0.00 9 N 8.08 4.34 0.00 2.72 2.86 0.00 0.00 7.13 7.05 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 10 T 8.39 3.87 4.15 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 1.07 0.00 0.00 11 F 8.30 3.65 0.00 3.03 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 12 E 8.62 4.22 0.00 2.28 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 0.00 2.72 2.73 0.00 13 Q 8.07 4.16 0.00 2.27 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.83 0.00 0.00 0.00 0.00 0.00 2.32 2.24 0.00 14 L 7.76 3.86 0.00 1.31 1.30 0.39 0.99 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 15 I 7.43 3.22 0.56 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.12 -0.73 0.00 0.00 16 Y 7.34 4.42 0.00 3.12 2.94 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 17 D 8.10 4.51 0.00 3.01 2.70 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 18 E 8.38 4.15 0.00 1.97 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 2.30 2.22 0.00 19 G 8.08 4.27 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 0.00 20 K 8.02 4.20 0.00 1.62 1.69 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.49 7.81 21 A 8.52 4.45 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 22 C 8.15 3.69 0.00 2.73 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 23 L 8.42 4.94 0.00 0.97 1.15 0.90 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 24 V 8.31 4.76 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 1.30 0.00 0.00 1.19 0.00 0.00 *26 F 8.56 4.94 0.00 3.11 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 27 S 9.07 4.94 0.00 3.95 4.09 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 28 R 8.40 4.98 0.00 1.92 2.02 0.00 3.04 0.00 0.00 3.35 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.68 0.00 29 K 8.90 4.06 0.00 1.80 1.95 0.00 1.79 0.00 0.00 1.80 0.00 0.00 2.98 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.60 1.57 7.81 30 N 8.02 4.65 0.00 2.73 2.87 0.00 0.00 6.82 7.66 0.00 0.00 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 7.63 4.47 0.00 3.10 2.83 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 0.00 0.00 0.00 0.00 32 H 8.88 4.13 0.00 3.12 3.38 0.00 5.96 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.83 3.76 2.12 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 1.11 0.00 0.00 0.97 0.00 0.00 34 C 8.26 4.05 0.00 3.21 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 Q 7.91 4.08 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 7.01 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 36 K 7.68 4.11 0.00 1.80 1.98 0.00 1.81 0.00 0.00 1.64 0.00 0.00 3.43 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.58 1.44 7.81 37 V 7.64 3.81 2.22 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 1.07 0.00 0.00 1.02 0.00 0.00 38 T 7.81 3.84 4.18 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 1.12 0.00 0.00 39 P 0.00 4.27 0.00 2.14 2.08 0.00 3.72 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.11 0.00 40 V 7.66 3.66 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 1.10 0.00 0.00 1.00 0.00 0.00 41 L 7.84 4.12 0.00 1.93 1.89 1.01 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.08 3.83 0.00 1.88 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 2.46 0.00 43 E 8.17 4.01 0.00 2.07 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 0.00 2.30 2.33 0.00 44 L 7.89 4.09 0.00 1.98 1.92 1.05 1.03 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 45 R 7.29 2.84 0.00 0.93 1.70 0.00 3.06 0.00 0.00 3.03 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.46 0.00 46 L 7.14 3.90 0.00 1.80 1.67 0.85 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 47 N 7.70 4.35 0.00 2.12 2.34 0.00 0.00 6.99 6.84 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 48 Y 7.57 4.58 0.00 3.48 3.29 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 49 E 7.82 3.82 0.00 2.08 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 2.34 2.42 0.00 50 E 8.13 4.37 0.00 2.02 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 2.33 2.39 0.00 51 S 8.41 4.82 0.00 4.09 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 F 8.12 4.84 0.00 3.06 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 53 G 8.62 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 0.00 0.00 0.00 54 F 8.08 4.98 0.00 2.70 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 55 Y 8.91 5.24 0.00 2.98 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 56 Y 9.03 4.97 0.00 2.98 2.84 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 57 V 7.94 4.04 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 0.00 0.00 0.57 0.00 0.00 0.56 0.00 0.00 58 D 7.74 4.76 0.00 2.45 2.31 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 59 V 8.80 3.73 1.19 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 0.88 0.00 0.00 0.62 0.00 0.00 60 E 8.52 4.09 0.00 2.05 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 2.24 2.20 0.00 61 E 8.19 4.29 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 2.21 2.27 0.00 62 E 7.87 4.69 0.00 1.89 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 0.00 2.21 2.23 0.00 63 K 7.86 4.07 0.00 1.82 1.91 0.00 1.66 0.00 0.00 1.88 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.71 1.49 7.81 64 T 7.86 3.92 4.24 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 1.22 0.00 0.00 65 L 7.90 3.93 0.00 1.76 1.93 0.70 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 66 F 8.43 4.35 0.00 3.22 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 67 Q 8.31 3.88 0.00 2.42 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.57 0.00 0.00 0.00 0.00 0.00 2.39 2.57 0.00 68 R 7.93 3.77 0.00 1.79 1.58 0.00 3.02 0.00 0.00 3.12 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.77 0.00 69 F 7.47 4.27 0.00 2.66 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 70 S 7.86 3.65 0.00 3.94 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 71 L 6.84 4.13 0.00 0.27 1.17 0.29 0.57 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 72 K 9.48 4.63 0.00 1.83 1.81 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.27 1.40 7.81 73 G 7.60 4.53 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 0.00 0.00 0.00 74 V 7.50 4.72 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 0.89 0.00 0.00 0.97 0.00 0.00 75 P 0.00 4.95 0.00 2.20 2.25 0.00 3.70 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 2.14 2.05 0.00 76 Q 8.95 4.92 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.67 0.00 0.00 0.00 0.00 0.00 2.38 2.64 0.00 77 I 8.55 4.71 1.99 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.32 0.55 0.00 0.00 78 L 8.98 5.22 0.00 1.55 1.31 -0.13 0.78 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 79 Y 8.96 5.08 0.00 2.72 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 80 F 8.74 5.86 0.00 2.85 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 81 K 8.78 4.95 0.00 1.84 1.67 0.00 2.08 0.00 0.00 1.89 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.46 7.81 82 D 9.81 4.19 0.00 2.90 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 83 G 8.52 4.10 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 0.00 0.00 0.00 84 E 8.05 4.69 0.00 2.32 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 2.39 2.34 0.00 85 Y 8.88 4.85 0.00 3.30 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 K 8.87 4.41 0.00 1.71 1.80 0.00 1.88 0.00 0.00 1.78 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.70 1.64 7.81 87 G 7.39 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 88 K 8.51 5.80 0.00 1.87 1.70 0.00 1.84 0.00 0.00 2.49 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.46 7.81 *90 A 8.45 4.26 1.36 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 0.00 0.00 0.00 91 G 8.59 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 92 D 8.62 4.44 0.00 2.68 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.08 4.34 2.14 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 0.81 0.00 0.00 1.00 0.00 0.00 94 E 8.10 4.65 0.00 2.20 1.80 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 2.39 2.35 0.00 95 D 8.71 4.46 0.00 2.94 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 96 D 8.07 4.39 0.00 2.93 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 97 E 8.23 3.85 0.00 1.98 2.32 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 2.31 2.38 0.00 98 V 7.59 3.82 2.28 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 1.05 0.00 0.00 1.07 0.00 0.00 99 E 8.79 4.00 0.00 2.22 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 2.40 2.45 0.00 100 Q 8.20 3.81 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.39 0.00 0.00 0.00 0.00 0.00 2.29 2.49 0.00 *102 I 7.77 3.43 1.36 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.52 -0.57 0.00 0.00 103 A 7.62 3.82 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 0.00 104 D 7.75 4.29 0.00 2.53 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 0.00 105 V 7.54 3.77 2.36 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 1.36 0.00 0.00 0.97 0.00 0.00 106 L 8.40 4.12 0.00 1.72 1.78 1.06 1.00 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 0.00 107 E 8.14 4.22 0.00 1.95 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 2.31 2.45 0.00 108 D 7.66 4.77 0.00 2.77 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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.