NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3769 8.3049 120.3259 54.9509 33.3644 174.9309 2 I 3.8068 8.1464 123.4110 59.2631 37.1033 174.7897 3 S 4.3392 8.9365 120.3967 58.2846 64.5788 173.9899 4 G 3.8609 7.1284 107.3729 45.6199 0.0000 170.6663 5 L 4.2856 7.9301 121.2832 54.2259 42.8194 176.5812 6 S 4.3946 8.4194 121.6385 59.5543 62.8561 173.2401 7 H 4.5638 6.7786 112.0379 55.0772 30.9285 172.1174 8 I 4.4071 7.8648 118.1725 59.7989 40.4505 174.8781 9 T 5.0306 8.4669 123.4921 61.7934 70.4925 173.8783 10 L 4.8028 9.0196 126.0673 52.9478 45.2500 175.4784 11 I 4.8204 8.5080 123.9516 60.2175 38.3489 175.4455 12 V 4.8730 9.2192 120.9070 59.3239 34.8039 177.2890 13 K 4.4448 9.3307 122.1597 58.3331 33.2722 177.0285 14 D 4.6312 7.7903 117.6361 51.3485 43.3042 175.1809 15 L 4.1154 8.5507 128.1982 58.1218 41.8465 179.2346 16 N 4.4888 8.2710 115.8078 56.1314 38.4315 177.5635 17 K 4.0361 8.4650 120.0821 59.6786 32.0548 179.6334 18 T 4.2087 8.0479 115.8938 66.7672 68.3811 176.9298 19 T 3.8082 8.1150 117.5578 66.8197 68.5365 176.5891 20 A 4.1481 8.0880 122.0323 54.7630 18.4218 179.5860 21 F 4.2719 8.0872 119.5824 61.7727 39.5632 177.5164 22 L 4.0193 8.4163 118.8995 57.5174 41.2920 179.7196 23 Q 4.0684 8.1320 118.2061 59.0092 28.6172 178.1629 24 N 4.2968 8.1801 116.3359 55.8894 38.6051 176.9798 25 I 3.8029 7.0736 119.1399 63.1369 37.8983 177.0748 26 F 4.2442 7.6175 114.2212 56.6525 39.4297 175.0990 27 N 4.7618 8.3972 116.8822 53.1570 37.1633 173.6904 28 A 4.3429 8.1141 117.5442 51.9632 19.6135 177.7611 29 E 4.5993 9.0206 122.7612 54.2723 31.3950 174.7575 30 E 4.0380 9.0313 129.4746 56.0372 30.1032 176.1286 31 I 4.5741 8.1911 118.8391 60.3458 39.1420 174.5135 32 Y 4.6776 7.4182 121.1511 57.3604 41.7955 172.5204 33 S 4.3845 7.3085 118.8535 57.0919 65.5907 173.9452 34 S 4.5116 7.3246 120.5410 58.6083 65.6181 173.2579 35 G 4.4614 8.0552 110.6741 47.1241 0.0000 175.2493 *42 S 4.1582 7.8502 115.3152 58.5321 63.6698 175.4723 43 K 4.8733 8.3633 130.2430 52.7128 33.6283 172.4551 44 E 5.2759 8.8533 121.9121 54.4227 34.0533 173.9979 45 K 4.6436 8.9702 116.5171 55.2445 37.2549 175.4433 46 F 5.8987 8.9349 120.8210 56.1010 42.3185 174.4733 47 F 5.5314 10.4649 121.9309 55.7370 43.7404 173.7485 48 L 5.2540 8.9036 120.8130 53.2488 44.3934 175.6880 49 I 4.5631 8.8951 125.0060 59.0421 39.7742 175.7363 50 A 3.6423 9.5279 132.8735 53.2059 15.6254 177.5583 51 G 3.9661 8.0049 106.1861 45.2577 0.0000 172.2140 52 L 4.4700 7.9661 123.2426 53.1377 43.4610 174.9518 53 W 5.0891 8.8619 135.0000 57.3937 31.4088 174.4109 54 I 4.9268 9.5820 129.4809 59.6692 39.6617 174.5357 55 C 5.6682 9.0938 126.1264 57.5219 35.0615 172.4768 56 I 5.1508 9.0019 119.2229 59.6628 39.7212 174.5599 57 M 5.1417 8.9545 126.5560 53.3413 35.1133 174.7524 58 E 4.6842 8.7690 122.3602 55.3869 30.7655 176.7314 59 G 3.9663 8.3782 112.8506 46.0418 0.0000 171.5600 60 D 4.5897 8.4438 118.9396 54.2076 41.3824 176.7188 61 S 4.4708 8.3056 118.4197 57.6648 63.7784 174.1846 62 L 4.1135 7.8641 122.3291 54.8695 41.8504 177.7879 63 Q 4.1300 8.8806 122.6859 58.6030 28.8141 176.3202 64 E 4.7410 7.6479 113.4908 54.5496 33.7770 174.5539 65 R 4.5565 8.2514 118.9846 55.3860 31.3157 176.1027 66 T 4.7729 8.1031 110.6019 60.2907 72.0394 172.8479 67 Y 4.5620 8.5273 120.2508 57.9508 39.0340 175.0057 68 N 4.2746 7.5201 116.1581 54.8788 39.0491 173.5111 69 H 4.5860 7.6216 115.6600 55.1779 31.5951 172.6918 70 I 4.4414 7.7085 118.1503 59.2540 40.2778 174.7924 71 A 5.2409 8.2985 127.1075 50.1557 21.8881 175.1465 72 F 4.7935 9.3131 119.8997 55.5360 42.3318 174.8195 73 Q 4.8347 8.7376 123.3161 56.0437 29.9099 174.7984 74 I 4.7061 8.3984 118.1370 59.6704 41.9497 173.7354 75 Q 4.6171 9.8603 122.9123 54.7643 29.8062 177.4064 76 S 3.8220 8.8649 117.6482 62.1145 62.3354 176.7764 77 E 4.0427 8.2592 120.3059 58.6999 29.4877 177.9598 78 E 4.4172 8.8929 117.9167 56.4963 30.0423 177.9229 79 V 3.6578 7.6486 119.7139 66.4001 31.4966 177.5739 80 D 4.3064 8.0448 117.6098 57.3322 40.7607 177.7847 81 E 3.7520 8.1889 119.1971 59.9719 29.5345 178.5828 82 Y 3.8793 8.0684 116.1854 61.0086 37.7985 178.5868 83 T 3.8523 7.9838 117.1110 66.4601 68.6199 176.2225 84 E 3.9318 7.9962 120.7167 59.1488 29.5120 178.8337 85 R 3.8364 7.7275 117.1348 59.3285 30.3788 178.8531 86 I 3.6709 7.6986 119.5546 64.0645 37.1570 178.3179 87 K 3.9213 7.8576 119.8936 59.3795 31.7173 178.4598 88 A 4.1636 7.6981 119.4145 54.0814 17.2280 178.5013 89 L 4.4482 8.0050 116.5698 54.3518 41.6893 178.0514 90 G 3.9886 7.5970 106.4120 46.1354 0.0000 174.2541 91 V 4.1185 7.0458 112.2779 59.9322 32.6635 176.0146 92 E 4.2574 8.7932 122.9412 56.9599 30.5749 175.5911 93 M 5.2625 8.5892 123.5590 53.2775 34.3712 176.0058 94 K 4.4583 8.8741 123.9309 55.5718 33.1248 175.3639 95 P 4.5847 0.0000 0.0000 61.9885 32.2704 176.0593 96 E 4.1389 8.5359 119.0519 56.7345 29.8691 177.5530 97 R 4.3186 8.3786 121.9629 54.6473 31.3222 174.7208 98 P 4.4814 0.0000 0.0000 63.0874 31.9344 175.8721 99 R 4.6515 7.9137 114.6573 55.9803 31.7793 174.4866 100 V 4.2722 8.3382 113.1048 59.4972 33.3830 177.4009 101 Q 4.0477 8.7328 119.0441 59.4574 28.2378 178.6033 102 G 3.7232 8.0181 106.2513 47.8237 0.0000 173.7816 103 E 4.1524 7.9779 119.0697 56.2816 29.9788 176.4221 104 G 4.5308 8.1753 108.8005 43.7257 0.0000 173.0859 105 R 4.4437 8.3473 118.0539 56.3660 31.1904 176.4813 106 S 5.1974 8.6202 117.0013 56.9120 67.4587 173.3172 107 I 4.6731 8.5545 122.5240 59.8742 40.2595 174.0401 108 Y 5.3637 8.8351 124.6376 56.2687 40.7433 174.7687 109 F 5.4681 8.8808 117.5977 56.2753 41.8292 172.6237 110 Y 5.5057 8.8059 117.3084 55.3507 40.0450 176.5625 111 D 4.1326 8.7661 125.2783 53.8454 38.8716 177.3416 112 F 4.9426 8.3181 119.2598 57.3678 39.5796 175.2353 113 D 4.8346 8.9525 120.0448 54.0471 42.1829 175.7048 114 N 4.4483 8.4987 113.1968 54.6572 36.4247 173.4547 115 H 4.7260 8.4543 115.2078 54.7915 30.2903 174.0559 116 L 4.0861 8.3020 125.5339 54.1255 43.2851 175.2859 117 F 4.8506 8.7864 124.9903 55.7140 42.6725 174.0927 118 E 4.9761 8.9032 120.2674 54.6323 33.6785 173.9977 119 L 5.1876 8.9511 125.9947 53.4745 44.4123 174.7112 120 H 5.1735 9.4058 125.3343 54.4818 32.1351 173.6040 121 A 5.1586 9.0882 129.1537 51.3240 18.7602 176.2581 122 G 4.4040 7.3426 112.5310 45.3710 0.0000 170.2592 123 T 4.6878 7.4082 110.4637 59.0534 72.9330 175.0465 124 L 3.9193 8.2843 122.4000 58.1398 41.9090 178.0661 125 E 3.9100 8.2498 117.7655 59.9098 29.5710 178.4735 126 Q 4.1546 8.0896 117.5176 58.9009 28.3758 179.0739 127 R 3.9269 7.7884 119.6540 59.5070 30.3517 178.3027 128 L 4.1249 8.0959 117.1696 55.7216 41.3131 178.8780 129 K 3.9237 7.6094 123.0667 60.6036 32.2112 178.9239 130 R 4.0524 7.3568 119.0047 61.5081 29.4654 179.4209 131 Y 4.5123 8.2866 122.3396 61.3513 38.7201 176.7443 *132 H 4.2514 8.4462 120.4264 54.9438 28.0567 178.3416 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 4.38 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.51 0.00 2 I 8.15 3.81 1.85 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 1.45 0.07 0.96 0.00 0.00 3 S 8.94 4.34 0.00 3.98 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 4 G 7.13 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 5 L 7.93 4.29 0.00 1.56 1.56 0.82 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 6 S 8.42 4.39 0.00 3.89 3.72 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 7 H 6.78 4.56 0.00 2.16 1.77 0.00 5.52 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 I 7.86 4.41 1.81 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.67 0.82 0.00 0.00 9 T 8.47 5.03 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 1.23 0.00 0.00 10 L 9.02 4.80 0.00 1.57 1.43 1.08 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 11 I 8.51 4.82 1.93 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 1.39 0.84 0.94 0.00 0.00 12 V 9.22 4.87 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 0.93 0.00 0.00 1.08 0.00 0.00 13 K 9.33 4.44 0.00 1.87 1.97 0.00 1.55 0.00 0.00 1.51 0.00 0.00 2.91 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.72 1.36 7.81 14 D 7.79 4.63 0.00 2.65 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 15 L 8.55 4.12 0.00 1.78 1.80 1.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 16 N 8.27 4.49 0.00 2.96 2.89 0.00 0.00 7.16 6.90 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 17 K 8.47 4.04 0.00 1.69 1.44 0.00 1.47 0.00 0.00 1.23 0.00 0.00 2.80 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.34 1.79 7.81 18 T 8.05 4.21 4.37 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 1.33 0.00 0.00 19 T 8.11 3.81 4.55 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 1.56 0.00 0.00 20 A 8.09 4.15 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 21 F 8.09 4.27 0.00 3.46 3.40 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 22 L 8.42 4.02 0.00 1.42 1.33 0.19 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 23 Q 8.13 4.07 0.00 2.29 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.80 0.00 0.00 0.00 0.00 0.00 2.66 2.59 0.00 24 N 8.18 4.30 0.00 2.68 2.82 0.00 0.00 7.08 8.27 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 25 I 7.07 3.80 0.94 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.17 -0.13 0.00 0.00 26 F 7.62 4.24 0.00 2.87 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 27 N 8.40 4.76 0.00 2.85 2.89 0.00 0.00 7.31 7.96 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 28 A 8.11 4.34 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 E 9.02 4.60 0.00 2.15 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 2.26 2.28 0.00 30 E 9.03 4.04 0.00 1.91 1.79 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 2.04 1.64 0.00 31 I 8.19 4.57 1.87 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 1.34 0.95 0.97 0.00 0.00 32 Y 7.42 4.68 0.00 2.83 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.31 4.38 0.00 3.83 3.37 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 34 S 7.32 4.51 0.00 3.90 3.84 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 35 G 8.06 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *42 S 7.85 4.16 0.00 3.67 3.76 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 43 K 8.36 4.87 0.00 1.43 1.70 0.00 1.70 0.00 0.00 1.87 0.00 0.00 2.86 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.36 0.98 7.81 44 E 8.85 5.28 0.00 2.28 2.21 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 2.28 2.42 0.00 45 K 8.97 4.64 0.00 1.96 1.54 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.20 1.44 7.81 46 F 8.93 5.90 0.00 3.02 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 47 F 10.46 5.53 0.00 2.96 2.99 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 48 L 8.90 5.25 0.00 1.69 1.65 0.95 1.00 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 49 I 8.90 4.56 1.96 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.90 0.80 0.00 0.00 50 A 9.53 3.64 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 51 G 8.00 3.97 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 52 L 7.97 4.47 0.00 1.91 1.73 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 53 W 8.86 5.09 0.00 3.42 3.22 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 54 I 9.58 4.93 2.06 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.13 0.97 0.00 0.00 55 C 9.09 5.67 0.00 2.55 2.48 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 56 I 9.00 5.15 2.02 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.89 1.03 0.00 0.00 57 M 8.95 5.14 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.60 0.00 58 E 8.77 4.68 0.00 2.15 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 2.34 2.30 0.00 59 G 8.38 3.97 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 60 D 8.44 4.59 0.00 2.69 2.62 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 0.00 0.00 0.00 61 S 8.31 4.47 0.00 3.87 3.81 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 62 L 7.86 4.11 0.00 1.73 1.71 0.94 0.68 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 63 Q 8.88 4.13 0.00 2.03 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 64 E 7.65 4.74 0.00 1.87 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.27 0.00 65 R 8.25 4.56 0.00 1.69 1.87 0.00 2.69 0.00 0.00 2.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.39 0.00 66 T 8.10 4.77 4.30 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 67 Y 8.53 4.56 0.00 2.82 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 68 N 7.52 4.27 0.00 2.75 2.65 0.00 0.00 6.76 8.04 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 69 H 7.62 4.59 0.00 3.05 3.01 0.00 5.47 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 70 I 7.71 4.44 1.54 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 0.92 0.98 0.56 0.00 0.00 71 A 8.30 5.24 1.12 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 0.00 0.00 0.00 0.00 0.00 0.00 72 F 9.31 4.79 0.00 3.10 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 73 Q 8.74 4.83 0.00 2.07 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 74 I 8.40 4.71 1.94 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.40 0.51 0.00 0.00 75 Q 9.86 4.62 0.00 2.20 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.72 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 76 S 8.86 3.82 0.00 4.04 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 0.00 77 E 8.26 4.04 0.00 1.96 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 0.00 2.32 2.48 0.00 78 E 8.89 4.42 0.00 2.22 2.21 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 2.34 2.50 0.00 79 V 7.65 3.66 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 1.06 0.00 0.00 0.98 0.00 0.00 80 D 8.04 4.31 0.00 2.79 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 81 E 8.19 3.75 0.00 1.89 1.87 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 1.96 2.20 0.00 82 Y 8.07 3.88 0.00 3.07 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 83 T 7.98 3.85 4.38 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 1.22 0.00 0.00 84 E 8.00 3.93 0.00 2.17 1.84 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 2.26 2.34 0.00 85 R 7.73 3.84 0.00 1.61 1.79 0.00 2.88 0.00 0.00 2.43 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.63 0.00 86 I 7.70 3.67 1.66 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.68 0.52 0.00 0.00 87 K 7.86 3.92 0.00 1.91 1.97 0.00 1.63 0.00 0.00 1.84 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.47 7.81 88 A 7.70 4.16 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 89 L 8.01 4.45 0.00 1.95 1.90 1.21 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 90 G 7.60 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 91 V 7.05 4.12 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 0.40 0.00 0.00 1.11 0.00 0.00 92 E 8.79 4.26 0.00 2.10 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 2.46 2.42 0.00 93 M 8.59 5.26 0.00 1.98 2.05 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.65 0.00 94 K 8.87 4.46 0.00 1.78 1.78 0.00 1.79 0.00 0.00 1.88 0.00 0.00 3.06 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.68 1.61 7.81 95 P 0.00 4.58 0.00 2.20 2.08 0.00 3.80 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 1.98 1.99 0.00 96 E 8.54 4.14 0.00 2.02 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 2.39 0.00 97 R 8.38 4.32 0.00 1.88 1.84 0.00 2.68 0.00 0.00 3.33 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.57 0.00 98 P 0.00 4.48 0.00 2.03 1.98 0.00 3.67 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 1.99 2.06 0.00 99 R 7.91 4.65 0.00 2.06 1.94 0.00 3.08 0.00 0.00 3.43 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.63 0.00 100 V 8.34 4.27 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 0.91 0.00 0.00 1.05 0.00 0.00 101 Q 8.73 4.05 0.00 2.17 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.11 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 102 G 8.02 3.72 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 0.00 0.00 0.00 103 E 7.98 4.15 0.00 2.19 1.95 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 2.38 2.29 0.00 104 G 8.18 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 0.00 105 R 8.35 4.44 0.00 1.76 1.89 0.00 3.27 0.00 0.00 3.36 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.62 0.00 106 S 8.62 5.20 0.00 3.81 3.59 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 0.00 107 I 8.55 4.67 1.97 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.76 1.01 0.00 0.00 108 Y 8.84 5.36 0.00 3.01 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 0.00 109 F 8.88 5.47 0.00 3.38 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 0.00 110 Y 8.81 5.51 0.00 2.85 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 0.00 111 D 8.77 4.13 0.00 2.04 2.38 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 0.00 112 F 8.32 4.94 0.00 3.00 2.99 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 0.00 113 D 8.95 4.83 0.00 2.87 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.50 4.45 0.00 2.84 2.89 0.00 0.00 7.10 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 0.00 115 H 8.45 4.73 0.00 3.61 2.90 0.00 5.80 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 L 8.30 4.09 0.00 1.43 1.55 0.22 0.84 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 0.00 117 F 8.79 4.85 0.00 2.14 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 E 8.90 4.98 0.00 1.42 1.51 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 1.89 1.47 0.00 119 L 8.95 5.19 0.00 1.61 1.45 0.32 0.82 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 0.00 120 H 9.41 5.17 0.00 3.32 3.14 0.00 5.77 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 0.00 121 A 9.09 5.16 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 0.00 122 G 7.34 4.40 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 0.00 123 T 7.41 4.69 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 1.21 0.00 0.00 124 L 8.28 3.92 0.00 1.77 1.70 0.89 0.72 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 0.00 125 E 8.25 3.91 0.00 1.99 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 2.32 2.52 0.00 126 Q 8.09 4.15 0.00 2.33 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.59 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 127 R 7.79 3.93 0.00 1.85 2.05 0.00 3.11 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 1.61 1.69 0.00 128 L 8.10 4.12 0.00 1.78 1.80 0.95 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 129 K 7.61 3.92 0.00 1.86 2.00 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.15 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.54 7.81 130 R 7.36 4.05 0.00 1.78 1.80 0.00 3.35 0.00 0.00 3.15 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 131 Y 8.29 4.51 0.00 2.90 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 *132 H 8.45 4.25 0.00 2.91 2.85 0.00 7.29 0.00 0.00 0.00 0.00 6.91 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.