NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 D 4.6038 8.3649 120.1906 53.7670 41.7366 175.3472 16 L 3.9465 8.3478 127.9942 57.0406 42.1370 177.7698 17 G 3.8569 8.1719 106.3571 46.2317 0.0000 174.6970 *19 L 4.1439 8.0640 122.7746 54.7162 43.8651 178.7678 20 A 3.9806 8.3002 120.2942 54.9712 17.9295 179.4655 21 A 3.8889 7.7055 118.3193 55.2672 18.5886 179.1915 22 E 4.0163 8.0220 115.8358 59.5789 30.1859 178.5887 23 L 4.1320 8.2631 118.6239 56.8559 41.7106 178.8841 24 S 4.0678 7.9543 113.8161 61.3074 61.9675 174.5710 25 P 4.4004 0.0000 0.0000 64.1726 31.1279 176.8852 26 I 4.2959 7.4525 109.3133 60.2555 37.9715 175.5213 27 L 4.4678 7.3920 120.8700 53.7001 42.2991 176.8782 28 G 3.8571 8.7378 110.7466 45.3658 0.0000 174.7520 29 D 4.3431 8.6896 119.4350 57.2562 40.7946 177.7385 30 N 4.6979 7.9206 112.4505 53.1940 39.2051 174.7953 31 E 4.3752 7.5188 119.7374 56.0483 30.4043 175.6844 32 E 4.8866 8.8834 123.1494 54.4002 33.6179 174.4559 33 L 4.5395 8.5376 121.0198 54.9409 42.1161 176.0893 34 Q 4.6563 9.1029 121.5567 57.1473 31.3585 175.9805 35 L 4.8793 7.8826 115.9991 53.3851 46.5137 174.9422 36 A 5.3221 8.2085 121.7268 50.9459 22.3295 175.5697 37 Y 4.3872 9.0336 119.6329 57.5146 41.8629 176.2151 *40 V 3.9525 8.7408 119.9767 63.2467 33.2965 177.0661 41 R 4.5201 7.8608 113.1751 55.7854 30.5081 174.9066 42 D 5.2852 7.8398 117.4289 52.5008 44.6979 174.7602 43 L 4.9555 8.7160 121.9163 53.4815 45.1730 175.1298 44 F 4.6590 9.7888 125.8272 56.1092 40.8325 175.0366 45 V 4.5746 8.3513 125.8260 61.2204 33.2991 174.7571 46 F 4.8573 9.4476 129.3042 56.6800 39.9799 176.1277 47 T 4.9564 8.4686 115.7003 59.4784 71.0243 175.6604 48 S 4.5268 8.6861 111.9396 59.7470 62.4690 174.0528 *50 R 3.1432 7.6614 117.1369 55.9229 31.2702 173.7510 51 L 4.2560 7.6409 122.6544 54.1284 43.5946 175.2156 52 I 4.6324 8.5034 127.9502 59.5904 39.3160 174.7726 53 L 4.3961 8.5813 129.0137 53.8270 42.9941 175.9699 54 I 4.5385 8.4776 125.8270 58.8024 39.3290 172.8501 55 D 4.5797 8.4591 130.0213 53.9899 44.6061 175.0345 *57 Q 4.2972 8.5998 118.0629 55.3818 29.8513 174.0117 58 G 3.9861 8.6956 106.3058 45.3940 0.0000 174.7837 59 V 3.8795 8.1582 115.8352 63.2532 32.7572 176.3813 60 T 4.7111 7.3539 109.8326 60.9748 67.4724 176.6886 61 G 4.0518 8.3237 108.4345 42.5866 0.0000 171.3799 *64 V 3.9336 8.2496 123.3428 62.4971 32.7303 174.3146 65 S 4.8707 8.1350 120.2387 56.6999 66.0514 172.7059 66 Y 4.7989 8.7596 119.6846 56.7157 39.9955 174.6509 67 H 4.7368 9.2268 126.7368 54.6930 31.2298 173.9693 68 S 4.7550 8.6135 123.0661 57.8029 63.8292 174.1948 69 I 4.2616 8.6415 126.5355 58.3974 39.1876 173.3217 70 P 4.2694 0.0000 0.0000 61.7963 32.2830 178.3884 71 Y 4.4590 7.9997 122.1976 57.7030 36.8679 177.8124 *73 A 4.2665 7.9726 122.6661 51.7900 20.7198 177.1132 74 I 4.6003 7.6878 116.6029 60.7878 35.9484 175.8452 75 V 4.1728 8.3681 119.6376 62.9543 32.4315 176.0948 76 H 5.0692 8.0733 113.3514 55.1297 31.3151 172.5038 77 F 5.6653 8.2841 112.9610 56.5093 40.6572 172.9771 78 Q 4.7846 8.8792 119.2743 54.9984 32.6483 172.9384 79 V 4.7444 8.4983 124.1831 61.0613 34.3541 174.0774 80 E 4.8782 9.2338 128.3370 54.5245 32.5681 174.4194 81 T 5.2353 8.6708 115.7198 59.8344 71.8646 173.0326 82 A 4.5533 8.8687 124.4518 51.4917 21.7131 176.5791 83 G 3.8298 9.1956 107.7958 45.5384 0.0000 172.9482 84 T 4.0463 8.1005 112.9624 64.5250 69.6504 175.3466 85 F 4.8228 7.5606 117.8374 56.4657 41.1438 172.9128 86 D 4.0286 8.8320 125.2726 54.6158 41.1914 172.4242 *88 D 4.6101 8.2479 123.8929 54.3593 42.9936 174.3911 89 A 5.2062 8.1721 121.3615 50.4990 23.1109 174.6181 90 E 4.7729 9.3670 122.3034 54.5534 33.4793 174.9839 91 L 5.2871 8.1472 128.2849 52.7274 45.7246 173.8174 *93 L 4.3985 8.1788 120.0010 54.9093 43.5981 175.6693 94 W 4.9151 9.3124 127.1212 55.5744 31.0595 175.3524 95 I 4.9176 8.3347 125.4695 59.2694 38.9145 175.2145 96 S 4.2618 8.8242 121.6895 60.4357 62.4770 174.8218 97 G 4.0122 9.1740 115.4307 45.2162 0.0000 172.7832 98 Q 4.6368 7.7221 118.9442 54.1832 30.2722 175.3007 99 H 4.4390 9.0497 123.3548 58.7505 30.3316 175.2881 100 E 4.4471 7.9739 117.8663 54.6439 30.4889 174.1396 101 P 4.3158 0.0000 0.0000 61.8554 32.6149 175.8361 102 L 4.1257 8.4376 121.9629 55.0171 42.1062 176.5923 103 V 4.9590 7.8969 121.3255 59.8842 35.3282 174.2088 *105 E 4.0388 8.5290 121.1780 56.0641 30.3550 175.5310 106 L 4.3624 8.6302 123.6696 53.3668 42.8162 177.4673 *108 R 4.1481 8.2982 122.9130 53.7986 30.2108 175.2412 109 G 4.6370 7.6416 120.6318 46.2883 0.0000 170.4887 110 T 4.4150 7.1817 116.7993 62.2424 69.9432 175.3643 111 D 4.5875 8.3295 123.6148 53.4249 40.1403 177.0532 112 V 3.5147 7.9659 124.9465 65.6475 32.1947 177.1713 113 V 3.8470 7.7267 117.5602 65.6314 31.3267 177.9529 114 G 3.8779 8.1382 105.3093 47.3622 0.0000 174.9763 115 I 3.0852 7.2532 120.8915 63.2413 37.7545 178.2652 116 Q 4.1630 7.3428 114.7522 56.8647 28.2225 178.2427 *118 T 4.0718 8.0788 116.2993 63.7849 70.5103 176.2540 119 I 3.6890 7.8380 122.0393 64.3886 37.0389 178.1021 120 A 4.0423 7.8640 121.3725 55.3208 17.6881 179.4959 121 R 3.6703 7.7595 116.4728 59.8259 29.8442 177.9392 122 Y 3.8788 7.5745 114.5439 60.2404 38.1138 177.4598 123 A 4.3009 8.2281 121.3512 54.5484 18.6668 178.9334 124 L 4.3551 8.0749 116.1358 54.6323 42.2319 177.1383 125 G 4.1106 7.6109 111.2216 45.8302 0.0000 173.2287 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 15 D 8.36 4.60 0.00 2.65 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 16 L 8.35 3.95 0.00 1.83 1.72 0.98 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 17 G 8.17 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 *19 L 8.06 4.14 0.00 1.97 1.90 0.95 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 20 A 8.30 3.98 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 21 A 7.71 3.89 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 22 E 8.02 4.02 0.00 2.26 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 0.00 2.29 1.97 0.00 23 L 8.26 4.13 0.00 1.80 1.69 0.96 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 24 S 7.95 4.07 0.00 4.09 3.87 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 25 P 0.00 4.40 0.00 2.00 2.06 0.00 3.78 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.11 0.00 26 I 7.45 4.30 1.76 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.54 0.77 0.00 0.00 27 L 7.39 4.47 0.00 1.76 1.62 0.92 1.23 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 28 G 8.74 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 29 D 8.69 4.34 0.00 2.68 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 30 N 7.92 4.70 0.00 2.72 2.87 0.00 0.00 6.84 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 E 7.52 4.38 0.00 2.03 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 2.33 2.28 0.00 32 E 8.88 4.89 0.00 2.09 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 2.23 2.32 0.00 33 L 8.54 4.54 0.00 1.56 1.68 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 9.10 4.66 0.00 2.26 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.65 0.00 0.00 0.00 0.00 0.00 2.48 2.58 0.00 35 L 7.88 4.88 0.00 1.74 1.47 0.99 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 36 A 8.21 5.32 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 37 Y 9.03 4.39 0.00 3.04 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 *40 V 8.74 3.95 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 0.82 0.00 0.00 0.92 0.00 0.00 41 R 7.86 4.52 0.00 1.92 1.99 0.00 3.02 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 42 D 7.84 5.29 0.00 2.68 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 43 L 8.72 4.96 0.00 1.82 1.47 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 44 F 9.79 4.66 0.00 3.20 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 45 V 8.35 4.57 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 0.80 0.00 0.00 0.94 0.00 0.00 46 F 9.45 4.86 0.00 3.24 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 47 T 8.47 4.96 4.39 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 1.21 0.00 0.00 48 S 8.69 4.53 0.00 4.12 4.13 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 *50 R 7.66 3.14 0.00 1.67 1.84 0.00 2.82 0.00 0.00 3.14 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.43 0.00 51 L 7.64 4.26 0.00 1.49 1.35 -0.17 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 52 I 8.50 4.63 1.78 0.00 0.00 0.82 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 0.36 0.94 0.00 0.00 53 L 8.58 4.40 0.00 1.34 1.35 -0.42 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 54 I 8.48 4.54 1.72 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 0.94 0.59 0.42 0.00 0.00 55 D 8.46 4.58 0.00 2.63 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 0.00 0.00 0.00 *57 Q 8.60 4.30 0.00 2.16 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.14 0.00 0.00 0.00 0.00 0.00 2.30 2.40 0.00 58 G 8.70 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 59 V 8.16 3.88 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 0.80 0.00 0.00 0.93 0.00 0.00 60 T 7.35 4.71 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 1.21 0.00 0.00 61 G 8.32 4.05 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 0.00 0.00 0.00 *64 V 8.25 3.93 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 0.55 0.00 0.00 0.92 0.00 0.00 65 S 8.14 4.87 0.00 3.87 3.87 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 66 Y 8.76 4.80 0.00 2.76 2.92 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 67 H 9.23 4.74 0.00 3.07 3.04 0.00 5.59 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.61 4.75 0.00 3.75 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 69 I 8.64 4.26 1.60 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 0.91 0.45 0.81 0.00 0.00 70 P 0.00 4.27 0.00 1.89 1.93 0.00 3.61 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 1.98 2.04 0.00 71 Y 8.00 4.46 0.00 3.14 3.15 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 *73 A 7.97 4.27 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 74 I 7.69 4.60 2.06 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.69 1.12 0.00 0.00 75 V 8.37 4.17 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 0.85 0.00 0.00 1.12 0.00 0.00 76 H 8.07 5.07 0.00 3.09 3.24 0.00 5.67 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 F 8.28 5.67 0.00 3.17 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 78 Q 8.88 4.78 0.00 2.49 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.89 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 79 V 8.50 4.74 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 0.85 0.00 0.00 1.05 0.00 0.00 80 E 9.23 4.88 0.00 2.08 1.74 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 2.19 2.23 0.00 81 T 8.67 5.24 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 1.20 0.00 0.00 82 A 8.87 4.55 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 83 G 9.20 3.83 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 0.00 0.00 0.00 84 T 8.10 4.05 3.75 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 0.37 0.00 0.00 85 F 7.56 4.82 0.00 3.10 2.95 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 86 D 8.83 4.03 0.00 2.81 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 *88 D 8.25 4.61 0.00 2.66 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 89 A 8.17 5.21 1.17 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 90 E 9.37 4.77 0.00 1.96 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 2.14 2.19 0.00 91 L 8.15 5.29 0.00 1.74 1.47 1.01 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 *93 L 8.18 4.40 0.00 1.85 1.59 1.03 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 94 W 9.31 4.92 0.00 3.31 2.92 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 95 I 8.33 4.92 1.92 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 1.27 0.94 0.00 0.00 96 S 8.82 4.26 0.00 3.86 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 97 G 9.17 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 0.00 0.00 0.00 98 Q 7.72 4.64 0.00 2.28 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.92 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 99 H 9.05 4.44 0.00 3.13 3.42 0.00 5.91 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 E 7.97 4.45 0.00 2.00 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 2.33 2.26 0.00 101 P 0.00 4.32 0.00 1.14 0.49 0.00 3.66 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.44 0.00 102 L 8.44 4.13 0.00 1.46 1.62 0.83 0.68 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 0.00 103 V 7.90 4.96 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 1.12 0.00 0.00 0.83 0.00 0.00 *105 E 8.53 4.04 0.00 2.00 1.89 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 2.19 2.32 0.00 106 L 8.63 4.36 0.00 1.62 1.55 0.87 0.75 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 *108 R 8.30 4.15 0.00 1.83 1.95 0.00 3.32 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 109 G 7.64 4.64 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 0.00 0.00 0.00 110 T 7.18 4.42 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 1.13 0.00 0.00 111 D 8.33 4.59 0.00 2.91 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 0.00 112 V 7.97 3.51 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 0.87 0.00 0.00 0.95 0.00 0.00 113 V 7.73 3.85 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 0.99 0.00 0.00 0.93 0.00 0.00 114 G 8.14 3.88 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 0.00 0.00 0.00 115 I 7.25 3.09 1.14 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.15 0.76 0.00 0.00 116 Q 7.34 4.16 0.00 2.34 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 6.17 0.00 0.00 0.00 0.00 0.00 2.39 2.50 0.00 *118 T 8.08 4.07 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 0.48 0.00 0.00 119 I 7.84 3.69 1.53 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.91 0.12 0.00 0.00 120 A 7.86 4.04 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 0.00 121 R 7.76 3.67 0.00 1.68 1.83 0.00 2.62 0.00 0.00 2.98 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.43 0.00 122 Y 7.57 3.88 0.00 2.62 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 A 8.23 4.30 1.44 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 0.00 0.00 124 L 8.07 4.36 0.00 1.72 1.78 1.05 0.91 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 0.00 125 G 7.61 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.