NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7191 8.3049 120.2822 55.4208 33.7113 174.0358 2 R 4.4806 8.8586 118.5927 53.6383 35.0195 172.6189 3 R 4.8956 8.8762 122.6646 55.2909 32.3795 174.3759 4 Y 5.2483 9.5100 123.2509 56.2619 43.0396 173.9268 5 E 4.8695 9.3234 120.2742 54.6354 32.6392 175.3562 6 V 4.5648 8.6790 125.2537 61.2795 33.9059 173.9633 7 N 5.4541 9.1752 126.5736 51.9184 40.5313 173.9826 8 I 4.9967 8.9820 125.3997 59.3161 40.7768 174.7907 9 V 4.4044 8.4396 126.1388 61.0143 33.6538 174.5245 10 L 5.2395 8.9197 127.4286 52.3141 45.2895 175.2634 11 N 4.5409 8.7575 119.9765 54.0699 38.6957 173.3245 12 P 4.5681 0.0000 0.0000 64.5759 31.9823 176.3128 13 N 4.8752 8.4681 116.4121 53.1126 38.6877 174.7416 14 L 4.3660 7.6227 118.1850 53.9847 43.0079 176.9721 15 D 4.6952 8.2427 122.1277 52.4069 42.1959 177.3040 16 Q 3.9020 8.6424 118.8547 59.7385 27.9037 179.4751 17 S 4.0124 7.9871 114.3138 61.5259 62.6463 176.0079 18 Q 3.9734 8.5810 120.9917 58.5791 28.3826 178.3793 19 L 3.8277 7.9845 121.2685 58.1638 42.1471 178.8941 20 A 4.0081 7.9337 120.6669 54.9886 18.2450 179.4144 21 L 3.8631 7.6750 118.9046 58.4289 42.1871 178.9515 22 E 3.9802 8.2284 118.4981 59.4542 29.3623 179.5886 23 K 4.0855 8.1352 118.4273 59.5864 32.0436 179.2840 24 E 4.0250 8.2257 118.8380 59.4164 29.3581 179.4821 25 I 3.7087 7.9532 119.9119 64.3160 37.1329 178.5396 26 I 3.6030 7.9428 120.7413 64.3120 36.9352 178.1494 27 Q 3.9037 8.1489 120.3175 59.2923 28.8380 178.3698 28 R 3.8655 8.2856 119.6493 59.3499 29.6744 178.3276 29 A 4.0593 8.1480 120.5224 55.1820 18.4343 179.5719 30 L 3.9588 7.9986 117.5312 58.1465 41.6911 179.7430 31 E 4.2194 8.3999 118.4675 59.3663 29.1726 178.9548 32 N 4.4775 8.3018 115.4731 55.2171 38.5435 175.8884 33 Y 4.4485 7.4409 116.4604 57.3335 38.3425 176.2068 34 G 3.8901 7.9825 107.4931 45.1620 0.0000 173.6165 35 A 4.6166 7.7885 121.0002 51.2324 19.9727 177.9917 36 R 4.3973 9.0813 121.2829 54.5473 31.9793 176.1632 37 V 3.9983 8.4058 125.5860 62.5649 31.1312 175.2649 38 E 4.3742 8.9350 129.0956 58.5351 30.4555 177.3403 39 K 4.6291 7.6658 118.6133 55.0662 35.9618 174.8726 40 V 4.5046 8.2733 125.4087 61.0946 34.4461 174.2088 41 E 4.6954 9.2647 126.8727 54.5937 33.3252 174.7073 42 E 4.6894 8.7867 123.6951 55.1673 29.8206 175.7092 43 L 3.9176 8.5019 126.2902 55.5597 42.7542 178.0755 44 G 3.1411 7.4012 104.3532 43.4780 0.0000 171.1525 45 L 4.8525 8.0062 119.6470 54.8253 42.5080 176.9708 46 R 4.5833 8.7474 121.3938 54.2426 35.0936 174.1027 47 R 4.5079 8.3673 121.8736 55.5695 30.5749 176.3897 48 L 4.2744 8.8943 126.7089 54.1932 42.3921 178.0979 49 A 4.2001 8.4001 124.3657 55.2987 18.5990 177.7383 50 Y 4.8436 6.7041 111.3472 54.9763 40.9730 172.7879 51 P 4.5911 0.0000 0.0000 63.2406 32.0327 175.6149 52 I 4.5286 8.1374 120.4773 60.7024 40.2443 175.5855 53 A 3.8195 9.5637 126.1597 53.1270 15.9023 178.0660 54 K 3.9614 8.3694 117.5251 58.2224 31.5036 174.9050 55 D 4.8624 8.0279 119.1459 53.0258 42.0389 175.4081 56 P 4.5649 0.0000 0.0000 63.8371 32.0472 175.1635 57 Q 5.1575 7.7418 116.0515 54.8805 32.2808 174.0306 58 G 4.3038 8.9603 105.5341 45.3558 0.0000 170.9838 59 Y 4.9993 9.0136 122.1348 56.0568 40.4160 174.4768 60 F 5.0618 9.2018 126.7692 56.7422 40.9235 175.0153 61 L 5.3441 9.3194 122.4938 52.7485 45.7818 175.3092 62 W 5.5555 9.1746 132.0071 55.9336 34.3354 173.5335 63 Y 4.7820 8.3787 123.2021 56.0271 42.0266 173.8591 64 Q 4.6070 8.3790 124.4440 54.3842 31.2805 174.7601 65 V 5.0592 8.9835 118.9968 59.6441 37.0390 173.8349 66 E 5.1792 8.8446 123.4331 54.7799 32.1025 174.7299 67 M 5.0911 9.1849 123.3492 53.4634 35.7821 172.3287 68 P 4.6358 0.0000 0.0000 62.2037 31.7592 177.8477 69 E 4.1275 9.0301 121.5704 59.2057 29.6586 178.3544 70 D 4.5814 8.1169 117.0789 54.7451 40.0133 177.1874 71 R 4.5192 7.9214 118.3652 55.9748 31.1827 177.7862 72 V 3.3167 7.1745 118.0150 66.1340 31.4213 177.2892 73 N 4.1442 7.9439 115.9089 56.7723 38.7868 176.3303 74 D 4.2077 7.8958 119.5427 57.1023 40.9740 178.4304 75 A 2.7591 7.4480 120.9229 54.6704 18.3389 179.4615 76 A 3.7891 7.7904 119.3285 55.3356 18.1688 180.1061 77 R 3.7886 7.5513 115.5127 59.2050 30.1487 178.4315 78 E 4.0441 7.8799 119.0752 59.4425 29.7693 178.9443 79 L 3.9422 7.8530 118.7988 57.8795 41.4524 179.7138 80 R 4.0922 7.8413 116.9064 58.5377 29.9831 178.7096 81 I 3.8909 7.2549 112.6193 62.5999 38.2547 177.1481 82 R 3.9469 7.2092 119.0751 56.3723 30.4262 177.3035 83 D 4.3835 8.7822 122.6649 57.5355 41.1059 177.3265 84 N 4.4442 8.0664 114.3960 54.2524 38.9878 174.2323 85 V 4.1811 7.3182 119.3582 62.1437 31.2553 175.7466 86 R 4.3046 8.9714 128.7550 58.4314 31.1409 177.3494 87 R 4.6437 7.5184 117.2015 54.9487 33.7357 173.9741 88 V 4.8337 8.2764 124.5732 61.3374 34.6304 174.2465 89 M 4.7090 8.9933 126.9109 54.0519 35.5615 173.4328 90 V 4.8362 8.5359 126.1048 61.2964 33.5038 174.9654 91 V 4.7308 8.5222 120.4291 59.0530 35.7076 174.9674 92 K 4.3817 8.7103 124.3109 56.2576 32.9202 176.4853 93 S 4.2785 8.4957 122.6453 58.9176 62.3478 173.3963 94 Q 4.4648 8.9588 125.3503 57.1926 30.0857 176.0108 95 E 4.5941 7.6631 116.4115 53.0620 29.9369 173.2766 96 P 4.7152 0.0000 0.0000 62.3962 32.4330 177.2669 97 F 4.0752 9.3487 122.1273 57.8523 39.7045 176.5990 *98 L 4.1415 8.3473 123.0187 54.6108 41.4092 175.8315 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 4.72 0.00 1.96 2.09 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.62 0.00 2 R 8.86 4.48 0.00 1.70 1.28 0.00 3.16 0.00 0.00 3.06 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.84 0.00 3 R 8.88 4.90 0.00 1.82 1.67 0.00 3.13 0.00 0.00 3.39 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.79 0.00 4 Y 9.51 5.25 0.00 2.82 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 5 E 9.32 4.87 0.00 2.02 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 2.37 2.37 0.00 6 V 8.68 4.56 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 0.91 0.00 0.00 0.80 0.00 0.00 7 N 9.18 5.45 0.00 2.86 2.86 0.00 0.00 6.35 8.14 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 8 I 8.98 5.00 1.98 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.72 0.91 0.00 0.00 9 V 8.44 4.40 1.81 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 0.69 0.00 0.00 0.13 0.00 0.00 10 L 8.92 5.24 0.00 1.68 1.55 0.98 0.45 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 11 N 8.76 4.54 0.00 2.71 2.76 0.00 0.00 7.18 7.98 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 12 P 0.00 4.57 0.00 2.29 2.26 0.00 3.83 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.20 0.00 13 N 8.47 4.88 0.00 2.72 2.86 0.00 0.00 6.96 7.88 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 14 L 7.62 4.37 0.00 1.51 1.51 0.87 1.14 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 15 D 8.24 4.70 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 16 Q 8.64 3.90 0.00 2.26 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.96 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 17 S 7.99 4.01 0.00 3.89 4.02 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 Q 8.58 3.97 0.00 2.08 2.10 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 2.36 2.65 0.00 19 L 7.98 3.83 0.00 1.64 1.73 0.91 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 20 A 7.93 4.01 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 21 L 7.67 3.86 0.00 1.72 1.87 0.92 0.94 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 22 E 8.23 3.98 0.00 2.19 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 2.54 2.49 0.00 23 K 8.14 4.09 0.00 2.06 1.95 0.00 1.73 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.58 1.75 7.81 24 E 8.23 4.03 0.00 2.20 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 2.35 2.49 0.00 25 I 7.95 3.71 2.02 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 1.52 0.88 0.91 0.00 0.00 26 I 7.94 3.60 2.01 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 1.33 0.75 0.45 0.00 0.00 27 Q 8.15 3.90 0.00 2.26 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 28 R 8.29 3.87 0.00 1.98 2.05 0.00 3.14 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 29 A 8.15 4.06 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 30 L 8.00 3.96 0.00 1.77 1.66 0.44 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.40 4.22 0.00 2.15 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 2.49 2.49 0.00 32 N 8.30 4.48 0.00 2.86 2.64 0.00 0.00 6.95 7.75 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 33 Y 7.44 4.45 0.00 3.02 2.94 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 34 G 7.98 3.89 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 0.00 0.00 0.00 35 A 7.79 4.62 1.30 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 0.00 0.00 0.00 36 R 9.08 4.40 0.00 1.74 1.90 0.00 3.14 0.00 0.00 3.32 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 37 V 8.41 4.00 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 0.93 0.00 0.00 0.97 0.00 0.00 38 E 8.94 4.37 0.00 2.04 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 2.35 2.44 0.00 39 K 7.67 4.63 0.00 1.82 1.63 0.00 1.44 0.00 0.00 1.36 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.51 1.39 7.81 40 V 8.27 4.50 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 0.28 0.00 0.00 0.86 0.00 0.00 41 E 9.26 4.70 0.00 2.04 1.75 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 2.27 2.17 0.00 42 E 8.79 4.69 0.00 1.89 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 2.36 2.36 0.00 43 L 8.50 3.92 0.00 1.66 1.58 0.97 1.02 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 44 G 7.40 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 0.00 0.00 0.00 45 L 8.01 4.85 0.00 1.55 1.65 1.00 1.01 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 46 R 8.75 4.58 0.00 1.00 1.32 0.00 2.33 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.96 0.00 47 R 8.37 4.51 0.00 1.79 1.81 0.00 3.30 0.00 0.00 3.46 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.72 0.00 48 L 8.89 4.27 0.00 1.70 1.48 0.91 0.71 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 49 A 8.40 4.20 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 50 Y 6.70 4.84 0.00 3.08 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 51 P 0.00 4.59 0.00 2.26 2.15 0.00 3.88 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 2.10 2.06 0.00 52 I 8.14 4.53 1.85 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.85 0.94 0.00 0.00 53 A 9.56 3.82 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 54 K 8.37 3.96 0.00 1.91 1.98 0.00 1.67 0.00 0.00 1.72 0.00 0.00 3.13 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.31 1.53 7.81 55 D 8.03 4.86 0.00 2.89 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 56 P 0.00 4.56 0.00 2.24 2.31 0.00 3.66 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.97 0.00 57 Q 7.74 5.16 0.00 2.22 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.81 0.00 0.00 0.00 0.00 0.00 2.25 2.39 0.00 58 G 8.96 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 0.00 0.00 0.00 0.00 59 Y 9.01 5.00 0.00 3.17 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 60 F 9.20 5.06 0.00 2.91 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 61 L 9.32 5.34 0.00 1.72 1.70 1.13 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 62 W 9.17 5.56 0.00 3.39 2.96 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 63 Y 8.38 4.78 0.00 2.64 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 64 Q 8.38 4.61 0.00 1.75 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.69 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 65 V 8.98 5.06 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 0.69 0.00 0.00 0.97 0.00 0.00 66 E 8.84 5.18 0.00 2.05 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 2.21 2.22 0.00 67 M 9.18 5.09 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.67 0.00 68 P 0.00 4.64 0.00 2.33 2.06 0.00 3.65 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.10 0.00 69 E 9.03 4.13 0.00 2.31 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 2.42 2.35 0.00 70 D 8.12 4.58 0.00 2.82 2.85 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 71 R 7.92 4.52 0.00 1.98 2.15 0.00 3.41 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.80 0.00 72 V 7.17 3.32 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 0.64 0.00 0.00 0.29 0.00 0.00 73 N 7.94 4.14 0.00 2.74 2.72 0.00 0.00 7.11 8.49 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 74 D 7.90 4.21 0.00 2.78 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 75 A 7.45 2.76 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.79 3.79 1.23 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 0.00 0.00 0.00 77 R 7.55 3.79 0.00 1.87 1.95 0.00 3.30 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 78 E 7.88 4.04 0.00 2.11 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 2.43 2.42 0.00 79 L 7.85 3.94 0.00 1.81 1.61 0.74 0.67 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 80 R 7.84 4.09 0.00 1.89 1.96 0.00 3.12 0.00 0.00 3.25 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.88 0.00 81 I 7.25 3.89 1.86 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 1.77 0.51 0.96 0.00 0.00 82 R 7.21 3.95 0.00 2.04 1.91 0.00 3.28 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 83 D 8.78 4.38 0.00 2.66 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 84 N 8.07 4.44 0.00 2.85 2.84 0.00 0.00 6.75 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 85 V 7.32 4.18 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 0.74 0.00 0.00 0.93 0.00 0.00 86 R 8.97 4.30 0.00 1.73 1.92 0.00 3.39 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 87 R 7.52 4.64 0.00 1.75 1.55 0.00 3.10 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 88 V 8.28 4.83 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 0.76 0.00 0.00 0.87 0.00 0.00 89 M 8.99 4.71 0.00 2.14 1.85 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.52 0.00 90 V 8.54 4.84 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 0.75 0.00 0.00 0.81 0.00 0.00 91 V 8.52 4.73 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 0.76 0.00 0.00 1.07 0.00 0.00 92 K 8.71 4.38 0.00 1.84 1.72 0.00 1.74 0.00 0.00 1.54 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.28 1.12 7.81 93 S 8.50 4.28 0.00 3.98 3.82 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 0.00 0.00 0.00 0.00 94 Q 8.96 4.46 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.00 0.00 0.00 0.00 0.00 0.00 2.29 2.56 0.00 95 E 7.66 4.59 0.00 1.82 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 2.16 2.23 0.00 96 P 0.00 4.72 0.00 2.24 2.11 0.00 3.74 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 97 F 9.35 4.08 0.00 3.32 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 *98 L 8.35 4.14 0.00 1.41 1.48 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.