NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.6546 8.3049 120.3510 55.8414 32.7265 174.4266 1 D 4.7994 9.1819 126.3092 53.2786 43.4811 174.1714 2 W 4.7867 8.6489 118.8739 56.7885 30.3605 175.8248 3 V 4.3348 9.3369 123.7533 61.4058 33.6885 174.3532 4 I 4.5761 8.2518 129.3997 58.7900 38.7568 174.3432 5 P 4.4445 0.0000 0.0000 61.0200 32.0427 174.4319 6 P 4.3310 0.0000 0.0000 62.6993 31.7238 175.7134 7 I 4.3918 8.2179 123.7925 59.3715 38.7329 174.9629 8 S 4.6412 8.3493 119.1209 56.0274 65.2788 173.4685 9 L 4.4021 8.5142 127.5426 53.9864 43.0735 176.7581 10 P 4.8875 0.0000 0.0000 62.2491 30.7809 180.0498 11 E 5.1220 7.8891 105.9600 53.9838 32.7820 175.2366 12 N 4.3813 7.8434 129.3246 53.0146 40.8572 179.1458 *15 G 2.9677 8.7196 109.7461 45.2391 0.0000 169.9114 16 P 4.3348 0.0000 0.0000 62.4481 32.0660 175.3736 17 F 4.9206 8.2039 117.4354 55.0035 40.9865 174.2221 18 P 4.7768 0.0000 0.0000 62.8532 32.2716 175.4572 19 K 4.4714 9.0260 124.2074 54.3824 34.7401 175.0629 20 N 4.4299 8.7484 124.9944 53.8702 38.6782 173.6132 21 L 4.6048 9.4302 123.0526 55.5460 42.4080 177.0217 22 V 4.6302 7.5306 109.3198 60.3680 37.2414 172.7974 23 Q 4.0128 7.6828 123.1798 54.4300 29.7182 174.9123 24 I 4.3817 8.0432 128.0611 60.4162 39.5263 174.8376 25 K 4.2397 8.2642 121.7591 56.1779 36.4238 173.9969 26 S 4.9884 8.9307 115.9649 56.3336 64.8130 174.5403 27 N 4.5705 9.1852 123.9573 54.6599 38.2504 177.1915 28 K 4.1030 7.9205 121.2024 58.3143 31.2338 178.0597 29 D 5.1573 7.9764 120.9562 54.7511 39.0484 178.1373 30 K 4.1367 7.8717 119.6867 58.5047 32.1874 177.3063 31 E 4.3627 7.8151 117.4038 56.8581 30.8706 175.6558 32 G 3.9238 6.9754 106.4640 44.3838 0.0000 172.4958 33 K 4.0869 8.6122 121.2960 56.0998 32.6239 175.9641 34 V 4.3907 7.7114 125.3099 60.9054 34.3542 174.2748 35 F 4.8570 9.0054 125.4725 55.8818 41.9991 174.0530 36 Y 5.7818 9.6891 121.8685 56.1483 40.6953 174.8247 37 S 5.2593 8.6631 115.1777 57.4873 66.7407 172.6854 38 I 5.4930 8.3683 113.2869 59.6420 40.5988 174.0987 39 T 4.8247 9.3925 113.5715 60.2516 73.0492 172.0671 40 G 4.2605 9.7974 108.1491 43.8236 0.0000 173.2766 41 Q 5.1186 7.9542 116.8994 57.0226 28.9321 176.4679 42 G 4.8543 9.3553 110.7533 44.4720 0.0000 173.8488 43 A 4.7426 8.6391 121.6003 51.7806 20.4810 176.7105 44 D 4.8523 8.7128 120.1334 52.1634 41.6009 177.1341 45 T 4.7815 7.5167 110.3850 58.8978 72.2290 171.5340 46 P 4.7614 0.0000 0.0000 62.9160 32.1645 174.0177 47 P 4.5128 0.0000 0.0000 62.4893 32.4903 175.8392 48 V 4.0287 8.6120 124.7048 63.2031 32.8794 176.2536 49 G 4.0305 9.1138 114.6614 46.4082 0.0000 174.8089 50 V 3.5232 7.3516 122.6532 64.7501 32.3656 176.0108 51 F 5.5393 8.4860 117.9943 55.5404 41.8740 175.0814 52 I 4.9017 8.8246 114.5957 59.3268 41.4624 173.6469 53 I 5.1480 8.2623 122.5685 59.0683 41.0069 174.5916 54 E 4.1594 9.3191 129.2605 56.4044 29.7513 177.5946 55 R 4.6277 9.1288 125.4568 58.6029 30.2986 177.8477 56 E 3.7994 8.3409 115.2810 57.7290 30.3136 177.0507 57 T 4.2439 8.1895 107.3090 61.4678 69.9864 175.9226 58 G 3.5454 8.7003 109.6350 45.6649 0.0000 172.5742 59 W 4.4735 7.9182 120.6760 56.4735 30.0691 175.1172 60 L 4.8476 9.1128 128.6808 54.4480 43.1021 175.6681 61 K 5.3855 9.5503 125.1220 54.6626 36.7945 175.2723 62 V 4.7746 8.7755 123.0303 60.6028 33.2708 176.3316 63 T 4.6416 8.5397 114.1268 61.8619 69.5493 174.0368 64 E 3.6364 7.2155 118.4752 53.8500 32.3068 172.9701 65 P 4.0537 0.0000 0.0000 62.8803 31.8758 177.2226 66 L 4.1963 8.3972 120.5367 56.2247 41.8652 178.2058 67 D 4.5507 7.8620 117.6408 55.0726 39.6303 177.3787 68 R 4.0748 7.6178 118.0534 57.5461 30.4001 175.9195 69 E 4.7752 7.8028 116.5616 54.7858 32.0916 175.6357 70 R 4.6589 8.4073 116.0154 55.7299 31.5584 175.3994 71 I 4.3481 7.4967 110.6521 58.8781 39.8146 175.4904 72 A 4.3077 8.3734 124.3899 54.9262 19.2543 177.4081 73 T 5.0994 7.4777 102.3273 60.3668 72.5474 173.1073 74 Y 4.5707 9.2685 120.3444 56.5996 41.1956 174.8350 75 T 4.6133 8.6999 121.3459 62.2037 69.6279 174.1190 76 L 4.8422 8.4908 127.1818 53.1436 45.0295 175.8450 77 F 5.0365 9.0630 118.8365 55.8778 42.7140 174.4888 78 S 5.1302 8.8007 119.1383 57.3954 65.3308 172.9346 79 H 5.7615 9.6149 118.3166 54.2446 33.0309 172.4758 80 A 5.0812 8.7811 121.8903 50.5841 22.2387 175.4813 81 V 4.9695 8.6758 115.0932 59.8177 37.0304 175.4653 82 S 5.1048 8.6023 117.2005 56.8156 65.0802 175.1297 83 S 3.8480 9.1451 116.1383 61.9705 62.2729 176.2157 84 N 4.3523 8.0046 114.0431 54.0150 37.1460 175.7198 85 G 3.9227 8.2737 108.4166 45.1416 0.0000 173.5380 86 N 4.4624 7.8395 117.9252 52.4777 39.2887 174.3878 87 A 4.5761 8.5365 126.1763 52.6193 18.9900 177.5347 88 V 4.2492 8.4609 115.0991 61.0376 32.2382 175.3864 89 E 4.6421 7.4506 117.7093 55.4565 33.2149 174.3006 90 D 4.8692 8.4780 120.2562 52.8674 42.1317 174.9762 91 P 4.7806 0.0000 0.0000 63.2982 32.3055 175.2994 92 M 4.4351 8.2837 123.1938 53.4917 34.2265 174.4558 93 E 3.8388 8.6256 127.4684 55.8784 30.9133 175.7440 94 I 4.2323 8.4884 127.3729 59.3423 40.4973 174.0409 95 L 4.6981 8.3387 129.9298 53.9438 43.2387 175.5582 96 I 4.4715 8.8488 127.6474 59.8774 39.7670 174.5401 97 T 4.8320 8.5179 123.8396 61.9508 70.1845 174.4125 98 V 4.2372 8.6717 127.0534 62.1608 32.7278 176.0622 99 T 4.2197 8.4613 116.4484 61.8028 68.8510 174.0382 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 0 M 8.30 4.65 0.00 2.02 2.15 0.00 0.00 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.71 0.00 1 D 9.18 4.80 0.00 2.75 2.54 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 0.00 0.00 0.00 0.00 2 W 8.65 4.79 0.00 3.18 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 3 V 9.34 4.33 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 0.96 0.00 0.00 1.00 0.00 0.00 4 I 8.25 4.58 1.80 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 1.34 0.90 0.77 0.00 0.00 5 P 0.00 4.44 0.00 1.96 1.93 0.00 3.56 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 1.98 1.96 0.00 6 P 0.00 4.33 0.00 2.16 2.04 0.00 3.70 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 1.98 1.97 0.00 7 I 8.22 4.39 1.80 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.77 0.87 0.00 0.00 8 S 8.35 4.64 0.00 3.77 3.69 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 9 L 8.51 4.40 0.00 1.75 1.67 1.08 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 10 P 0.00 4.89 0.00 2.19 1.52 0.00 3.89 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 2.07 2.02 0.00 11 E 7.89 5.12 0.00 1.94 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 2.03 1.76 0.00 12 N 7.84 4.38 0.00 2.76 1.68 0.00 0.00 6.92 7.51 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 *15 G 8.72 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 0.00 0.00 0.00 16 P 0.00 4.33 0.00 2.13 2.00 0.00 3.58 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.90 0.00 17 F 8.20 4.92 0.00 2.93 3.02 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 18 P 0.00 4.78 0.00 1.95 2.05 0.00 3.64 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 2.06 2.14 0.00 19 K 9.03 4.47 0.00 1.38 1.64 0.00 1.37 0.00 0.00 1.35 0.00 0.00 2.79 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.21 1.37 7.81 20 N 8.75 4.43 0.00 2.40 2.57 0.00 0.00 7.01 7.85 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 21 L 9.43 4.60 0.00 1.73 1.66 1.12 0.89 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 22 V 7.53 4.63 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 0.75 0.00 0.00 0.85 0.00 0.00 23 Q 7.68 4.01 0.00 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.88 0.00 0.00 0.00 0.00 0.00 1.65 1.42 0.00 24 I 8.04 4.38 1.76 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.37 0.95 0.00 0.00 25 K 8.26 4.24 0.00 1.75 1.68 0.00 1.39 0.00 0.00 1.50 0.00 0.00 2.73 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.28 1.35 7.81 26 S 8.93 4.99 0.00 3.04 3.48 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.19 4.57 0.00 2.74 2.80 0.00 0.00 6.72 7.32 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 28 K 7.92 4.10 0.00 1.61 1.74 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.31 1.65 7.81 29 D 7.98 5.16 0.00 2.89 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 30 K 7.87 4.14 0.00 1.82 1.88 0.00 1.76 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.51 7.81 31 E 7.82 4.36 0.00 1.99 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 2.19 0.00 32 G 6.98 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 33 K 8.61 4.09 0.00 1.68 1.65 0.00 0.78 0.00 0.00 0.67 0.00 0.00 2.68 0.00 0.00 2.51 0.00 0.00 0.00 0.00 1.22 1.28 7.81 34 V 7.71 4.39 1.72 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 0.21 0.00 0.00 0.81 0.00 0.00 35 F 9.01 4.86 0.00 2.86 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 36 Y 9.69 5.78 0.00 2.99 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 37 S 8.66 5.26 0.00 3.96 4.04 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 38 I 8.37 5.49 1.94 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 1.51 0.83 0.95 0.00 0.00 39 T 9.39 4.82 4.34 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 1.30 0.00 0.00 40 G 9.80 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 0.00 0.00 0.00 0.00 41 Q 7.95 5.12 0.00 2.30 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.73 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 42 G 9.36 4.85 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 43 A 8.64 4.74 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 44 D 8.71 4.85 0.00 2.83 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 45 T 7.52 4.78 4.29 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 1.27 0.00 0.00 46 P 0.00 4.76 0.00 1.98 2.10 0.00 3.71 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 2.14 0.00 47 P 0.00 4.51 0.00 2.18 2.31 0.00 3.84 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.16 0.00 48 V 8.61 4.03 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 1.05 0.00 0.00 1.03 0.00 0.00 49 G 9.11 4.03 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 0.00 0.00 0.00 50 V 7.35 3.52 1.76 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 -0.02 0.00 0.00 0.94 0.00 0.00 51 F 8.49 5.54 0.00 2.87 2.86 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 52 I 8.82 4.90 1.95 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 1.19 1.30 0.96 0.00 0.00 53 I 8.26 5.15 1.96 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.05 1.06 0.00 0.00 54 E 9.32 4.16 0.00 2.17 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 0.00 2.44 2.38 0.00 55 R 9.13 4.63 0.00 2.04 2.12 0.00 3.45 0.00 0.00 3.65 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.05 0.00 56 E 8.34 3.80 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 2.37 2.45 0.00 57 T 8.19 4.24 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 1.39 0.00 0.00 58 G 8.70 3.55 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 0.00 0.00 0.00 0.00 59 W 7.92 4.47 0.00 3.34 3.16 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 60 L 9.11 4.85 0.00 1.74 1.71 0.99 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 61 K 9.55 5.39 0.00 1.75 1.77 0.00 1.79 0.00 0.00 1.81 0.00 0.00 2.90 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.40 1.52 7.81 62 V 8.78 4.77 2.18 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 1.17 0.00 0.00 0.75 0.00 0.00 63 T 8.54 4.64 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 1.27 0.00 0.00 64 E 7.22 3.64 0.00 1.70 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.94 0.00 65 P 0.00 4.05 0.00 2.41 2.16 0.00 3.24 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.86 0.00 66 L 8.40 4.20 0.00 1.75 1.78 0.99 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 67 D 7.86 4.55 0.00 2.78 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 68 R 7.62 4.07 0.00 1.85 1.96 0.00 2.96 0.00 0.00 3.13 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 69 E 7.80 4.78 0.00 2.04 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 2.27 2.41 0.00 70 R 8.41 4.66 0.00 1.73 1.86 0.00 3.34 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.51 0.00 71 I 7.50 4.35 1.61 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 -0.30 0.81 0.00 0.00 72 A 8.37 4.31 1.26 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 0.00 0.00 73 T 7.48 5.10 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 1.19 0.00 0.00 74 Y 9.27 4.57 0.00 2.84 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 75 T 8.70 4.61 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 1.01 0.00 0.00 76 L 8.49 4.84 0.00 1.33 1.45 0.42 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 77 F 9.06 5.04 0.00 2.99 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 78 S 8.80 5.13 0.00 3.68 3.66 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 79 H 9.61 5.76 0.00 3.21 3.35 0.00 5.56 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 80 A 8.78 5.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.68 4.97 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 0.75 0.00 0.00 0.98 0.00 0.00 82 S 8.60 5.10 0.00 4.06 4.03 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 83 S 9.15 3.85 0.00 3.91 3.98 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 84 N 8.00 4.35 0.00 2.81 2.93 0.00 0.00 6.25 7.00 0.00 0.00 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 G 8.27 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 86 N 7.84 4.46 0.00 2.76 2.75 0.00 0.00 7.00 7.11 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 87 A 8.54 4.58 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 88 V 8.46 4.25 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 0.73 0.00 0.00 0.78 0.00 0.00 89 E 7.45 4.64 0.00 1.78 1.70 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 1.81 1.47 0.00 90 D 8.48 4.87 0.00 2.82 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 91 P 0.00 4.78 0.00 2.00 1.90 0.00 3.73 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 2.10 2.26 0.00 92 M 8.28 4.44 0.00 0.72 0.58 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.94 0.00 93 E 8.63 3.84 0.00 1.85 1.64 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 1.92 1.47 0.00 94 I 8.49 4.23 1.58 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.49 0.69 0.00 0.00 95 L 8.34 4.70 0.00 1.51 1.47 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 96 I 8.85 4.47 1.79 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.24 0.94 0.00 0.00 97 T 8.52 4.83 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 1.22 0.00 0.00 98 V 8.67 4.24 2.23 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 0.84 0.00 0.00 1.22 0.00 0.00 99 T 8.46 4.22 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 * Residues marked with a * may have inaccurate shift predictions.