NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3181 8.3344 115.2893 57.6458 63.8075 173.5273 3 E 3.8717 8.6984 128.5652 53.6785 30.3236 174.4660 4 P 4.2280 0.0000 0.0000 66.3958 31.4318 177.7459 5 L 3.9276 10.8200 118.5308 57.4440 41.4873 178.9166 6 H 3.9559 8.4457 115.4145 59.0212 28.5840 177.3146 7 A 3.9861 7.8901 121.7092 55.3033 18.1924 179.5443 8 L 3.8857 8.1793 117.3695 57.9930 41.5711 179.7662 9 A 3.9963 8.2867 120.8482 55.2141 18.3249 179.9430 10 R 3.8517 8.2610 116.7899 59.1051 30.0457 179.0225 11 Q 3.8805 8.2371 119.7545 59.1592 29.1312 177.9366 12 L 3.8754 8.1142 121.6898 58.3442 41.9593 178.1955 13 E 3.7895 8.3302 119.2533 59.6391 29.5172 178.4789 14 Q 3.8333 8.1734 119.0097 59.1962 29.0333 178.6948 15 A 3.9334 7.9442 121.6990 55.0652 18.2219 179.5658 16 I 3.5756 7.4510 117.0695 64.5300 37.2491 178.3907 17 R 3.0198 7.5069 117.2125 59.1249 30.0546 178.8100 18 A 4.2194 7.8830 118.1301 53.0631 18.5200 177.5831 19 S 4.2783 7.4698 112.7687 58.2642 63.9117 175.4342 20 E 4.0446 8.8153 120.5896 58.8746 29.4540 176.7579 21 P 4.4900 0.0000 0.0000 65.5900 31.0205 178.2615 22 F 4.1092 8.0923 120.7772 61.4928 39.4192 177.0696 23 Q 3.8379 7.9072 116.3436 59.0492 28.4658 179.0487 24 Q 3.9530 8.4746 119.3625 58.8918 28.7850 178.5591 25 L 3.8670 7.7975 121.0069 58.1221 42.1502 178.6095 26 K 3.6386 8.5308 120.4890 59.9245 32.0345 178.8740 27 R 3.9569 8.4463 118.1093 58.8743 29.6902 178.9034 28 A 3.9110 8.3694 121.2206 55.2979 18.3782 179.0809 29 Y 3.7301 8.1689 115.1899 61.4062 37.7790 178.6057 30 E 3.9602 8.0063 117.7812 60.7007 29.8724 178.6559 31 D 4.3325 8.2573 119.0120 56.3233 40.3808 178.3644 32 V 3.6071 7.6837 121.5773 64.1316 31.8893 178.2766 33 R 4.4780 7.6629 119.8537 57.8445 30.2734 177.3391 34 R 4.6302 8.3863 114.8101 55.0995 30.9615 176.0432 35 D 4.6470 7.6058 119.4248 52.6310 41.7435 175.4300 36 E 3.9395 8.8370 128.9553 60.0424 29.1888 178.7104 37 T 3.9737 8.0313 114.1263 66.6509 68.8458 176.3365 38 A 4.1438 7.8301 121.3471 54.9985 18.6228 178.7281 39 Y 4.2726 8.3053 120.2670 60.0701 38.7266 178.2005 40 R 4.0941 7.6888 115.3426 57.2964 29.8106 178.1691 *42 F 4.6809 8.0463 121.0674 58.0903 41.4716 176.4774 43 A 3.5760 8.1868 122.1872 55.2572 18.1492 178.7614 44 N 4.0803 8.5639 115.7984 57.2457 38.8308 177.1790 45 V 3.5428 7.5764 118.6064 65.5896 31.5894 177.8581 46 R 3.6178 7.5714 118.6025 59.3696 29.9367 178.1771 47 D 4.2539 8.0224 118.6789 57.4168 40.8535 178.5099 48 I 3.5913 7.5690 119.0186 64.3633 37.7304 177.6095 49 Q 4.0060 7.8831 119.8962 58.6667 28.7914 177.5814 50 L 4.0116 8.2862 121.8615 57.5424 42.1370 179.0893 51 R 3.9502 8.6421 118.6082 59.0779 29.9992 178.5994 52 L 3.9866 7.6336 117.4908 58.2221 41.8207 178.6909 53 H 4.2574 7.9825 117.9234 59.6712 29.6242 177.1790 54 E 3.9263 7.6916 119.0388 58.7014 29.5557 178.8835 55 K 4.1564 7.9078 119.7350 58.4430 32.2290 176.8380 56 Q 4.4886 7.9518 120.1422 56.4166 29.5894 176.6566 *58 R 3.7735 7.8527 112.1188 54.1619 30.8470 175.7548 59 G 3.7383 7.9173 100.9673 47.0900 0.0000 172.7637 60 A 4.5928 8.5499 127.4885 49.2177 22.2570 175.8316 61 A 3.9578 8.6429 124.4051 52.9389 18.7617 177.7882 62 I 5.1027 8.1794 120.4279 57.6743 37.4313 175.2221 63 L 4.1342 8.3419 126.2585 55.0666 40.6344 176.6840 64 P 4.0862 0.0000 0.0000 65.8191 31.0333 178.5621 65 D 4.4485 7.9410 117.1181 57.7879 40.7767 179.0690 66 E 3.7080 7.6330 116.9506 59.7139 29.3032 179.5039 67 I 3.9441 8.5249 119.9851 63.7385 37.3339 178.2173 68 E 3.8607 7.9448 119.2172 59.0974 29.3135 178.7139 69 Q 3.9473 9.0088 120.6552 59.2002 28.9201 178.4254 70 A 3.9441 7.4864 119.8982 55.2284 18.5504 178.8356 71 Q 4.0276 8.6870 117.9529 59.2821 29.3519 178.5056 72 K 4.1120 8.7336 120.7033 59.2172 31.9886 180.1602 73 A 4.0113 8.5077 121.1731 52.1340 18.5634 179.2048 *75 A 4.2743 8.0097 125.1916 53.8618 20.4967 180.2491 76 L 4.0475 7.8866 114.1559 57.6873 41.8075 179.3175 77 A 4.1363 7.7071 119.8108 55.0056 18.0778 179.4421 78 Q 3.9564 7.8549 116.9605 59.0572 29.3101 177.5251 79 Q 4.0707 7.7932 119.4482 57.1747 29.7493 175.5770 80 N 4.6622 7.3530 118.6102 53.3649 40.1444 175.1647 81 E 4.1304 8.5119 122.3001 58.9594 29.9665 178.9361 82 K 3.7650 8.0029 117.7196 59.9586 31.9923 178.8745 83 L 3.8839 8.3009 117.4664 57.9105 41.6027 179.3920 84 A 4.0460 7.3137 118.4496 55.0487 18.7099 179.0346 85 R 3.9644 7.8584 116.8545 59.6476 30.0990 179.5109 86 L 3.7775 7.6785 117.7502 56.1139 42.3541 178.4837 *88 A 4.3035 8.1132 119.2701 50.9171 21.3046 179.7873 89 L 3.8671 8.3661 113.7652 57.5961 41.7174 179.4415 90 E 4.0688 8.3401 118.0736 59.7136 29.6367 178.4953 91 Q 4.1864 8.7465 119.6923 58.7396 29.1690 178.2992 92 Q 4.2351 7.6276 119.1396 56.2199 29.2605 177.8835 *94 S 4.6496 8.1823 115.1693 57.4420 65.2943 175.4182 95 I 3.9778 7.4098 115.0180 63.3392 37.6926 178.1157 96 T 3.8447 8.3495 117.9572 66.6010 68.2747 176.1719 97 I 3.6613 7.8777 120.7148 64.6470 37.2925 177.7897 98 A 4.2638 7.7463 122.2313 54.8749 18.0991 179.5858 99 E 3.9568 8.2963 116.6613 59.3253 29.4643 179.8687 100 V 3.5702 7.8082 118.6245 66.0603 31.1809 178.2038 101 Q 4.0522 8.3148 117.4430 59.1629 28.0466 178.3195 102 Q 3.9909 7.6456 120.6519 59.1248 29.1428 177.8411 103 I 3.8937 7.3980 119.5116 63.7666 37.3947 179.1820 104 A 4.1538 7.6621 123.1339 51.3873 17.8875 179.0592 *106 K 4.2959 8.0233 121.5683 57.5161 34.5873 176.7144 107 P 4.3304 0.0000 0.0000 65.9450 31.0798 178.2788 108 L 3.8891 7.7655 118.0701 57.5876 42.1482 178.3387 109 E 3.8851 7.8958 119.1199 59.1549 29.4650 178.4657 110 E 3.8997 9.2659 119.3808 59.3106 29.6581 179.1434 111 L 3.8200 7.6981 120.3256 58.2927 41.8855 178.4712 112 H 3.2588 7.6920 115.4383 58.6152 28.6556 177.2449 113 R 4.0113 7.5076 119.1625 59.7247 30.0166 178.5636 114 S 4.3167 7.4427 113.2978 61.0323 63.6385 176.3938 115 F 4.6702 7.6512 122.1506 57.8906 36.4690 175.1413 *117 E 4.0505 8.0853 119.8561 54.0177 32.1061 175.2652 118 G 4.2722 7.7708 112.4950 45.9428 0.0000 173.5052 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 4.32 0.00 3.84 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 3 E 8.70 3.87 0.00 2.24 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 2.52 2.66 0.00 4 P 0.00 4.23 0.00 2.29 2.34 0.00 3.77 0.00 0.00 3.77 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 5 L 10.82 3.93 0.00 1.77 1.72 0.90 1.06 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 6 H 8.45 3.96 0.00 3.37 3.37 0.00 5.63 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 7 A 7.89 3.99 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 8 L 8.18 3.89 0.00 1.85 1.73 0.91 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 9 A 8.29 4.00 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 10 R 8.26 3.85 0.00 1.98 1.98 0.00 3.14 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 11 Q 8.24 3.88 0.00 2.27 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 12 L 8.11 3.88 0.00 1.74 1.79 0.90 0.72 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 13 E 8.33 3.79 0.00 2.11 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 2.20 2.26 0.00 14 Q 8.17 3.83 0.00 2.32 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 15 A 7.94 3.93 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 16 I 7.45 3.58 1.80 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 1.47 0.81 0.81 0.00 0.00 17 R 7.51 3.02 0.00 1.75 1.81 0.00 2.96 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.50 0.00 18 A 7.88 4.22 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 19 S 7.47 4.28 0.00 4.06 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 0.00 20 E 8.82 4.04 0.00 2.08 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 2.40 2.38 0.00 21 P 0.00 4.49 0.00 2.37 2.34 0.00 3.70 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.07 0.00 22 F 8.09 4.11 0.00 3.15 3.26 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 23 Q 7.91 3.84 0.00 2.35 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.56 0.00 0.00 0.00 0.00 0.00 2.66 2.64 0.00 24 Q 8.47 3.95 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.78 0.00 0.00 0.00 0.00 0.00 2.59 2.53 0.00 25 L 7.80 3.87 0.00 1.82 1.54 0.94 0.49 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 26 K 8.53 3.64 0.00 1.38 1.70 0.00 1.69 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.38 7.81 27 R 8.45 3.96 0.00 2.09 1.95 0.00 3.18 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 28 A 8.37 3.91 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 29 Y 8.17 3.73 0.00 3.17 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 30 E 8.01 3.96 0.00 2.10 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 2.35 2.43 0.00 31 D 8.26 4.33 0.00 2.95 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.68 3.61 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 0.47 0.00 0.00 0.48 0.00 0.00 33 R 7.66 4.48 0.00 1.93 2.23 0.00 3.34 0.00 0.00 3.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.42 0.00 34 R 8.39 4.63 0.00 1.74 1.90 0.00 3.18 0.00 0.00 3.24 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.71 0.00 35 D 7.61 4.65 0.00 2.73 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 36 E 8.84 3.94 0.00 2.08 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 2.43 2.49 0.00 37 T 8.03 3.97 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 1.23 0.00 0.00 38 A 7.83 4.14 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 39 Y 8.31 4.27 0.00 3.33 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 40 R 7.69 4.09 0.00 2.07 1.95 0.00 3.26 0.00 0.00 3.13 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.76 0.00 *42 F 8.05 4.68 0.00 3.04 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 43 A 8.19 3.58 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 44 N 8.56 4.08 0.00 2.80 2.85 0.00 0.00 6.95 7.07 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 45 V 7.58 3.54 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 0.88 0.00 0.00 0.90 0.00 0.00 46 R 7.57 3.62 0.00 1.40 1.78 0.00 3.08 0.00 0.00 3.03 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.50 0.00 47 D 8.02 4.25 0.00 2.67 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 48 I 7.57 3.59 1.84 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 1.38 1.19 0.92 0.00 0.00 49 Q 7.88 4.01 0.00 2.35 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.59 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 50 L 8.29 4.01 0.00 1.86 1.67 0.90 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 51 R 8.64 3.95 0.00 1.84 1.94 0.00 3.18 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.82 0.00 52 L 7.63 3.99 0.00 1.63 1.75 0.91 1.17 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 53 H 7.98 4.26 0.00 3.32 3.47 0.00 5.79 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 E 7.69 3.93 0.00 2.09 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 2.34 2.51 0.00 55 K 7.91 4.16 0.00 1.94 1.96 0.00 1.61 0.00 0.00 1.67 0.00 0.00 3.15 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.43 7.81 56 Q 7.95 4.49 0.00 2.29 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.38 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 *58 R 7.85 3.77 0.00 1.97 2.03 0.00 3.21 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 59 G 7.92 3.74 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 0.00 0.00 0.00 60 A 8.55 4.59 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 61 A 8.64 3.96 1.25 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 0.00 0.00 62 I 8.18 5.10 1.87 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 1.10 0.46 0.98 0.00 0.00 63 L 8.34 4.13 0.00 1.81 1.85 0.95 0.80 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 64 P 0.00 4.09 0.00 2.17 2.12 0.00 3.63 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 2.11 2.17 0.00 65 D 7.94 4.45 0.00 2.68 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 66 E 7.63 3.71 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 2.33 2.37 0.00 67 I 8.52 3.94 2.00 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 1.52 1.13 0.90 0.00 0.00 68 E 7.94 3.86 0.00 2.00 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 2.39 2.47 0.00 69 Q 9.01 3.95 0.00 1.99 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 70 A 7.49 3.94 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 71 Q 8.69 4.03 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.92 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 72 K 8.73 4.11 0.00 1.90 1.96 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.44 7.81 73 A 8.51 4.01 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 *75 A 8.01 4.27 1.39 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 0.00 0.00 0.00 76 L 7.89 4.05 0.00 1.64 1.74 0.91 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 77 A 7.71 4.14 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 78 Q 7.85 3.96 0.00 2.03 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 7.02 0.00 0.00 0.00 0.00 0.00 2.33 2.46 0.00 79 Q 7.79 4.07 0.00 2.24 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.67 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 80 N 7.35 4.66 0.00 2.79 2.83 0.00 0.00 7.02 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 81 E 8.51 4.13 0.00 2.04 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 2.36 2.38 0.00 82 K 8.00 3.77 0.00 1.83 1.82 0.00 1.67 0.00 0.00 1.79 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.66 7.81 83 L 8.30 3.88 0.00 1.76 1.75 0.98 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 84 A 7.31 4.05 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 85 R 7.86 3.96 0.00 1.86 2.11 0.00 3.08 0.00 0.00 3.05 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 86 L 7.68 3.78 0.00 1.53 1.61 -0.14 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 *88 A 8.11 4.30 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 89 L 8.37 3.87 0.00 1.68 1.74 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 90 E 8.34 4.07 0.00 2.09 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 2.50 2.52 0.00 91 Q 8.75 4.19 0.00 2.13 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.90 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 92 Q 7.63 4.24 0.00 2.21 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.15 0.00 0.00 0.00 0.00 0.00 2.37 2.52 0.00 *94 S 8.18 4.65 0.00 4.10 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 95 I 7.41 3.98 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 1.66 0.85 0.99 0.00 0.00 96 T 8.35 3.84 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 1.23 0.00 0.00 97 I 7.88 3.66 1.91 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 1.59 0.65 0.93 0.00 0.00 98 A 7.75 4.26 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 99 E 8.30 3.96 0.00 2.29 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 2.33 2.48 0.00 100 V 7.81 3.57 2.20 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 1.04 0.00 0.00 1.00 0.00 0.00 101 Q 8.31 4.05 0.00 2.30 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.58 0.00 0.00 0.00 0.00 0.00 2.59 2.35 0.00 102 Q 7.65 3.99 0.00 2.18 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 7.01 0.00 0.00 0.00 0.00 0.00 2.37 2.54 0.00 103 I 7.40 3.89 2.03 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 1.45 0.64 0.90 0.00 0.00 104 A 7.66 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 *106 K 8.02 4.30 0.00 1.84 2.08 0.00 1.69 0.00 0.00 1.80 0.00 0.00 3.07 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.64 7.81 107 P 0.00 4.33 0.00 2.11 2.10 0.00 3.73 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.15 0.00 108 L 7.77 3.89 0.00 1.67 1.58 0.65 0.83 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 0.00 109 E 7.90 3.89 0.00 2.09 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 2.36 2.44 0.00 110 E 9.27 3.90 0.00 2.25 1.93 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 2.30 2.32 0.00 111 L 7.70 3.82 0.00 1.73 1.32 0.96 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 112 H 7.69 3.26 0.00 3.22 3.18 0.00 5.72 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 R 7.51 4.01 0.00 1.80 2.15 0.00 3.25 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 114 S 7.44 4.32 0.00 4.07 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 0.00 115 F 7.65 4.67 0.00 3.18 3.01 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 *117 E 8.09 4.05 0.00 2.01 2.07 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 2.22 2.40 0.00 118 G 7.77 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 * Residues marked with a * may have inaccurate shift predictions.