NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4493 8.3049 120.3272 55.3964 33.6989 176.3284 2 E 4.2585 8.0941 117.5456 56.2109 30.0404 175.7303 3 D 4.3527 8.6991 121.4768 57.6338 41.4735 178.0312 4 E 4.0272 8.1333 118.4143 59.3507 29.4765 179.0917 5 N 4.3867 8.0951 116.2213 56.3015 38.7575 177.2588 6 I 3.7344 7.9627 121.3354 64.4209 37.1013 178.5630 7 L 3.9884 8.0757 119.7563 57.6226 41.4133 179.3472 8 R 3.8824 8.0413 118.6867 59.6018 29.9423 177.9832 9 N 4.3331 8.2602 116.4863 56.6961 38.9119 176.6797 10 A 3.9745 8.0211 122.1165 54.9749 18.4797 179.8422 11 V 3.4772 8.1222 117.0503 66.1914 31.7081 177.6364 12 N 4.2470 8.4406 116.7219 56.6628 38.5044 177.1352 13 L 3.9180 8.2075 121.5397 58.0260 42.2802 178.6501 14 Q 3.9547 8.1354 119.6689 59.1518 28.8340 178.5553 15 V 3.5518 7.7955 119.2258 65.8685 31.5647 177.8962 16 L 3.9318 7.8169 118.7033 57.9702 41.5694 179.8403 17 K 4.3182 8.2367 118.1165 59.0248 31.6649 179.2171 18 F 4.1655 7.7620 120.2643 61.6139 39.3538 176.5459 19 H 4.1972 7.6859 114.3479 57.0785 29.4773 175.1311 20 Y 4.6790 8.2881 119.4581 55.0991 38.8367 174.0654 21 P 4.5277 0.0000 0.0000 64.3728 31.9624 177.7795 22 E 4.4097 8.2296 116.5978 57.6824 29.9881 176.3924 23 I 4.0506 7.5943 120.7166 61.8467 36.9830 175.3321 24 E 4.6488 9.2711 127.8300 57.5889 31.4746 175.8674 25 S 4.7054 7.7526 111.0303 57.4257 66.3741 173.4503 26 I 4.6397 8.2411 122.0100 60.6033 37.8889 175.7135 27 I 4.0526 9.1119 129.0188 63.7708 37.9033 175.0976 28 D 4.6571 7.6243 118.3676 54.1300 44.5592 173.2132 29 I 5.2389 8.3125 117.9470 59.7839 41.4301 174.6621 30 A 4.6293 9.1010 127.4988 50.1598 21.1059 177.1425 31 S 3.9305 8.9491 119.2502 61.7948 63.2311 174.0885 32 H 5.1535 7.9610 120.8796 55.1268 32.6242 172.3098 33 V 5.0430 9.3986 125.6393 61.2363 35.1820 173.8815 34 A 5.4724 9.3575 128.4016 50.3503 22.3990 175.1987 35 V 4.9569 8.4562 120.1954 61.6885 33.9109 174.5221 36 Y 5.1771 9.6180 124.4286 56.8822 41.6882 174.8586 37 Q 4.6408 9.5377 116.3970 57.3495 30.3648 176.8502 38 F 3.7771 8.3628 116.7871 57.4737 41.1255 174.6183 *45 W 4.7866 7.8192 118.4514 57.3286 30.0769 174.4048 46 L 4.9720 8.6810 124.9415 52.4025 44.1593 176.0391 47 K 3.5927 8.7026 125.7575 56.3406 32.7728 176.8750 48 T 4.3727 8.0776 118.4663 60.3320 70.2663 174.8162 49 S 4.2545 8.4409 114.6737 59.6213 63.5439 173.9613 50 I 4.4575 7.7056 124.2183 60.2004 37.7573 174.4973 51 E 5.2372 8.3172 125.4430 54.3190 33.1704 174.5201 52 G 4.0752 8.0694 111.9961 46.2856 0.0000 171.2844 53 T 4.6757 7.9123 117.0110 62.9686 70.0950 173.4640 54 F 5.2644 9.0711 128.5465 56.6788 41.5396 174.1379 55 F 5.0633 9.3148 125.8292 55.5024 41.2623 174.6019 56 L 4.5277 8.6732 127.4029 54.7530 43.1055 176.0521 57 V 5.0208 9.3049 119.3914 59.5565 36.1362 174.5697 58 K 5.2066 8.9397 122.5106 55.0172 35.0042 175.8206 59 D 5.1234 8.5522 123.7197 51.6769 42.2139 176.6451 60 Q 3.9627 8.7299 119.0901 59.5302 28.8850 177.5814 61 R 4.2537 8.1410 113.3468 55.9012 30.0500 176.5017 62 A 3.8023 8.0768 119.0767 52.5858 16.9279 178.6605 63 R 4.2015 8.3578 118.0856 57.0658 31.3490 175.9606 64 V 4.6672 8.4856 123.5392 62.3132 33.6444 175.0748 65 G 4.5126 8.7541 113.1881 46.1251 0.0000 171.0374 66 Y 5.3471 8.4145 116.8135 55.2596 41.8473 174.2857 67 V 4.8048 8.6790 121.1949 61.2385 34.6990 174.1206 68 I 5.6236 8.6325 128.4420 59.0144 39.1577 174.9831 69 L 4.6389 8.9057 128.2359 53.8511 42.3042 175.7987 70 N 4.8360 8.9193 124.2697 53.8899 38.8568 175.2831 71 R 4.2500 9.2575 125.4322 58.2229 30.4463 177.6863 72 N 4.5546 8.7364 116.1760 55.3270 38.9704 174.7078 73 S 4.5820 7.4197 109.8840 56.8948 65.4785 172.4166 74 P 4.4218 0.0000 0.0000 63.3445 31.1559 176.6616 75 E 4.1395 7.8997 119.2115 56.3249 28.9524 176.1643 76 N 5.0837 8.5446 121.3701 51.8914 41.2031 174.1178 77 L 4.8437 8.4210 121.6273 53.5736 44.9094 174.5458 78 Y 5.1015 8.4508 126.0515 55.9992 41.2336 174.0313 79 L 4.4320 7.9594 125.7510 52.7791 46.3134 175.7667 80 F 4.9039 8.4196 119.8000 56.5944 40.7640 175.6376 81 I 4.3792 8.5473 123.7788 60.1017 37.2693 175.5520 82 N 4.5084 8.9812 125.8337 55.6047 39.1687 175.8033 83 H 4.9899 7.7990 113.7113 53.1667 32.9974 172.4929 84 P 4.2284 0.0000 0.0000 65.7615 31.1602 178.4759 85 S 4.2842 8.0397 112.0879 60.4642 63.1826 174.8106 86 N 4.5937 8.6051 119.1688 54.8149 38.5242 174.2537 87 V 5.0972 7.5778 118.7335 61.4028 33.8730 174.4684 88 H 5.2856 9.4742 123.9873 54.1085 33.4139 172.6238 89 L 4.8571 8.4760 121.1949 53.5797 42.5967 176.5224 90 V 4.2660 8.2612 124.7825 61.6820 34.3480 175.7741 91 D 4.1963 8.2988 128.9961 56.0661 39.4325 175.1117 92 R 3.9860 8.6041 126.6529 56.9662 30.3871 174.8013 93 Y 4.5614 7.3800 117.0476 55.8952 40.7215 175.0320 94 L 4.4391 8.5252 126.2089 54.5229 42.9270 175.3215 95 I 4.5816 8.9096 129.1172 60.6962 38.9497 174.6352 96 H 5.3862 9.5880 127.3679 54.6420 32.1380 171.9855 97 R 5.0848 9.4606 127.1867 54.8814 32.0802 175.1503 98 T 4.2700 8.7904 122.9824 65.2659 71.2654 175.6225 99 E 3.2145 9.1692 123.3984 57.0569 31.8416 177.4913 100 N 4.6301 9.1833 115.4464 52.7250 37.8626 174.5512 101 Q 3.3778 7.6262 113.5533 57.2691 26.9225 174.4254 102 H 4.7744 8.0827 116.4487 54.6788 29.8174 174.4940 103 V 4.9519 8.3547 123.3567 60.8940 33.7427 174.7750 104 V 4.7067 9.0385 127.3570 61.0846 34.8473 174.0949 105 G 4.0144 9.2633 114.5093 44.3507 0.0000 171.8672 106 L 5.3086 8.8531 125.8246 52.9041 44.1171 175.2851 107 W 4.3741 9.3516 135.0000 55.9519 32.2041 174.7332 108 M 4.5183 7.6478 127.9846 53.8489 32.2657 176.4344 109 F 3.8835 8.3907 124.1519 58.5032 39.9303 171.7585 110 D 4.3291 9.0439 127.7806 53.2491 38.5081 172.5481 111 P 4.1008 0.0000 0.0000 64.3806 31.8809 178.8100 112 N 4.2513 8.0017 116.7062 56.3157 38.2461 176.7514 113 D 4.3466 7.8385 119.6377 56.7802 40.7972 178.3709 114 M 3.8701 7.4692 119.9606 58.4925 31.9705 178.8165 115 S 4.0726 7.7697 113.7161 61.2138 63.2955 176.2617 116 R 3.8491 7.6786 122.4506 59.5279 29.8714 178.6414 117 I 3.7533 7.9868 119.9979 64.0266 36.9942 178.1107 118 F 4.0089 8.1960 121.6613 61.4454 39.1217 176.6225 119 N 4.2996 8.4941 115.9048 56.6960 38.3806 177.3107 120 I 3.6889 7.6868 120.6999 64.3446 36.9774 178.6252 121 V 3.5724 7.7484 117.9037 66.0221 31.5546 177.8356 122 K 3.9729 7.6767 118.0804 59.6378 31.6607 179.2977 123 E 3.9885 8.2418 117.7705 59.3384 29.3890 179.3099 124 S 4.3527 8.2695 114.7989 60.4128 62.8207 175.0463 125 L 4.6210 7.1075 119.5286 54.1145 41.8157 175.5788 126 L 4.3450 7.7522 121.3091 54.3203 42.7963 176.7679 127 R 4.2325 8.4135 123.7849 56.4476 30.8498 175.1580 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 1 M 8.30 4.45 0.00 2.01 2.16 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.63 0.00 2 E 8.09 4.26 0.00 2.06 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 2.41 0.00 3 D 8.70 4.35 0.00 2.76 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 4 E 8.13 4.03 0.00 2.01 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 2.40 0.00 5 N 8.10 4.39 0.00 3.00 2.88 0.00 0.00 7.16 7.48 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 6 I 7.96 3.73 2.01 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 1.53 1.01 0.92 0.00 0.00 7 L 8.08 3.99 0.00 1.79 1.72 0.92 0.67 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 8 R 8.04 3.88 0.00 2.00 2.17 0.00 3.12 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.68 0.00 9 N 8.26 4.33 0.00 3.01 2.97 0.00 0.00 7.17 8.09 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 10 A 8.02 3.97 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 11 V 8.12 3.48 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 1.01 0.00 0.00 0.94 0.00 0.00 12 N 8.44 4.25 0.00 3.08 2.99 0.00 0.00 6.74 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 13 L 8.21 3.92 0.00 1.81 1.73 0.91 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 14 Q 8.14 3.95 0.00 2.26 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.59 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 15 V 7.80 3.55 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 0.98 0.00 0.00 0.91 0.00 0.00 16 L 7.82 3.93 0.00 1.77 1.57 0.53 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 17 K 8.24 4.32 0.00 2.02 1.87 0.00 1.68 0.00 0.00 1.59 0.00 0.00 3.08 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.60 1.58 7.81 18 F 7.76 4.17 0.00 3.02 3.20 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 19 H 7.69 4.20 0.00 2.71 2.34 0.00 5.65 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 Y 8.29 4.68 0.00 2.82 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 21 P 0.00 4.53 0.00 2.05 2.11 0.00 3.77 0.00 0.00 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 22 E 8.23 4.41 0.00 2.22 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 0.00 2.46 2.44 0.00 23 I 7.59 4.05 1.96 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.52 0.86 0.00 0.00 24 E 9.27 4.65 0.00 1.94 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 0.00 2.24 2.24 0.00 25 S 7.75 4.71 0.00 3.92 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 26 I 8.24 4.64 2.11 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 0.63 1.14 0.00 0.00 27 I 9.11 4.05 2.02 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.53 0.95 0.00 0.00 28 D 7.62 4.66 0.00 2.73 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.31 5.24 1.85 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 1.11 0.73 0.73 0.00 0.00 30 A 9.10 4.63 1.14 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 0.00 0.00 0.00 0.00 0.00 31 S 8.95 3.93 0.00 3.90 3.94 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 32 H 7.96 5.15 0.00 3.11 3.15 0.00 5.63 0.00 0.00 0.00 0.00 6.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 V 9.40 5.04 2.26 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 1.00 0.00 0.00 0.78 0.00 0.00 34 A 9.36 5.47 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.46 4.96 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 1.16 0.00 0.00 1.17 0.00 0.00 36 Y 9.62 5.18 0.00 2.99 3.14 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 0.00 0.00 0.00 37 Q 9.54 4.64 0.00 2.06 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.69 0.00 0.00 0.00 0.00 0.00 2.45 2.41 0.00 38 F 8.36 3.78 0.00 2.80 2.90 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 *45 W 7.82 4.79 0.00 3.30 3.13 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 46 L 8.68 4.97 0.00 1.68 1.61 0.97 0.76 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 47 K 8.70 3.59 0.00 1.37 1.53 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.13 0.65 7.81 48 T 8.08 4.37 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 1.31 0.00 0.00 49 S 8.44 4.25 0.00 4.02 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 50 I 7.71 4.46 1.97 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 1.26 0.92 1.05 0.00 0.00 51 E 8.32 5.24 0.00 2.05 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 2.49 2.57 0.00 52 G 8.07 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 T 7.91 4.68 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 0.57 0.00 0.00 54 F 9.07 5.26 0.00 3.13 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 F 9.31 5.06 0.00 2.78 2.89 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 0.00 0.00 0.00 56 L 8.67 4.53 0.00 1.91 1.62 1.15 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 57 V 9.30 5.02 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 0.71 0.00 0.00 0.82 0.00 0.00 58 K 8.94 5.21 0.00 1.72 1.73 0.00 1.67 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.40 7.81 59 D 8.55 5.12 0.00 3.03 3.06 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 0.00 0.00 0.00 60 Q 8.73 3.96 0.00 2.22 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 7.30 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 61 R 8.14 4.25 0.00 1.80 1.89 0.00 3.49 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.53 0.00 62 A 8.08 3.80 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 63 R 8.36 4.20 0.00 2.14 1.83 0.00 2.21 0.00 0.00 2.71 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.47 0.00 64 V 8.49 4.67 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 1.13 0.00 0.00 0.98 0.00 0.00 65 G 8.75 4.51 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 0.00 66 Y 8.41 5.35 0.00 2.23 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 67 V 8.68 4.80 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 1.00 0.00 0.00 -0.02 0.00 0.00 68 I 8.63 5.62 2.09 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.42 1.16 0.00 0.00 69 L 8.91 4.64 0.00 1.88 1.75 0.92 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 70 N 8.92 4.84 0.00 2.89 2.94 0.00 0.00 7.23 7.64 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 71 R 9.26 4.25 0.00 1.81 1.98 0.00 3.14 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 72 N 8.74 4.55 0.00 3.02 2.89 0.00 0.00 6.78 7.14 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 73 S 7.42 4.58 0.00 3.95 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 74 P 0.00 4.42 0.00 2.09 2.16 0.00 3.70 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 2.04 2.12 0.00 75 E 7.90 4.14 0.00 1.95 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 2.38 2.36 0.00 76 N 8.54 5.08 0.00 2.79 3.03 0.00 0.00 6.91 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 77 L 8.42 4.84 0.00 1.85 1.64 0.97 1.47 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 78 Y 8.45 5.10 0.00 2.11 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 79 L 7.96 4.43 0.00 0.84 1.26 1.01 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 80 F 8.42 4.90 0.00 2.85 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 81 I 8.55 4.38 1.96 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.72 1.00 0.00 0.00 82 N 8.98 4.51 0.00 2.69 2.68 0.00 0.00 6.94 8.16 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 83 H 7.80 4.99 0.00 3.16 3.14 0.00 5.63 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 P 0.00 4.23 0.00 2.15 2.27 0.00 3.75 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 2.08 1.96 0.00 85 S 8.04 4.28 0.00 4.06 4.08 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 0.00 0.00 0.00 0.00 86 N 8.61 4.59 0.00 3.05 3.18 0.00 0.00 6.22 7.65 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 87 V 7.58 5.10 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 0.88 0.00 0.00 0.99 0.00 0.00 88 H 9.47 5.29 0.00 3.17 3.20 0.00 5.85 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 L 8.48 4.86 0.00 1.26 1.44 0.63 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 90 V 8.26 4.27 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 1.07 0.00 0.00 1.00 0.00 0.00 91 D 8.30 4.20 0.00 2.88 1.66 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 92 R 8.60 3.99 0.00 1.38 1.21 0.00 2.81 0.00 0.00 2.90 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.36 0.00 93 Y 7.38 4.56 0.00 2.52 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 94 L 8.53 4.44 0.00 1.64 1.46 1.07 0.68 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 95 I 8.91 4.58 1.95 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 1.00 0.43 1.04 0.00 0.00 96 H 9.59 5.39 0.00 3.29 3.33 0.00 5.56 0.00 0.00 0.00 0.00 6.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 R 9.46 5.08 0.00 1.84 1.84 0.00 3.26 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 98 T 8.79 4.27 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 1.26 0.00 0.00 99 E 9.17 3.21 0.00 2.03 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 2.27 2.42 0.00 100 N 9.18 4.63 0.00 2.81 2.77 0.00 0.00 6.83 7.69 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 0.00 101 Q 7.63 3.38 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.07 6.95 0.00 0.00 0.00 0.00 0.00 2.23 2.27 0.00 102 H 8.08 4.77 0.00 3.13 3.29 0.00 5.57 0.00 0.00 0.00 0.00 6.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 V 8.35 4.95 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 1.05 0.00 0.00 0.95 0.00 0.00 104 V 9.04 4.71 2.24 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 1.27 0.00 0.00 1.10 0.00 0.00 105 G 9.26 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 0.00 106 L 8.85 5.31 0.00 1.59 1.50 0.60 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 107 W 9.35 4.37 0.00 3.40 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 0.00 108 M 7.65 4.52 0.00 1.82 1.62 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 109 F 8.39 3.88 0.00 2.90 3.11 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 0.00 110 D 9.04 4.33 0.00 2.95 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 0.00 111 P 0.00 4.10 0.00 2.04 1.80 0.00 3.54 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 1.96 1.85 0.00 112 N 8.00 4.25 0.00 2.73 2.81 0.00 0.00 6.84 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.84 4.35 0.00 2.64 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 0.00 114 M 7.47 3.87 0.00 1.85 2.06 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.24 0.00 115 S 7.77 4.07 0.00 3.97 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 0.00 116 R 7.68 3.85 0.00 1.93 1.91 0.00 3.09 0.00 0.00 3.14 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 117 I 7.99 3.75 1.80 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 0.46 0.82 0.00 0.00 118 F 8.20 4.01 0.00 3.20 3.19 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 0.00 119 N 8.49 4.30 0.00 3.11 2.91 0.00 0.00 7.12 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 I 7.69 3.69 2.01 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 1.57 0.90 0.95 0.00 0.00 121 V 7.75 3.57 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 0.80 0.00 0.00 1.05 0.00 0.00 122 K 7.68 3.97 0.00 1.79 1.70 0.00 1.48 0.00 0.00 1.42 0.00 0.00 2.78 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.92 0.85 7.81 123 E 8.24 3.99 0.00 1.98 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 2.34 2.43 0.00 124 S 8.27 4.35 0.00 4.04 3.96 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 0.00 125 L 7.11 4.62 0.00 1.56 1.65 1.02 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 126 L 7.75 4.34 0.00 1.84 1.62 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 127 R 8.41 4.23 0.00 1.79 1.75 0.00 3.46 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 * Residues marked with a * may have inaccurate shift predictions.