NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 T 4.5310 8.1744 111.0802 61.5486 70.2503 172.4833 7 L 4.6752 8.9643 127.6812 53.0125 45.2397 173.4392 8 T 5.1802 9.3280 122.3448 61.9803 71.5487 173.2226 9 V 4.6083 8.7985 119.2791 59.5735 35.7804 174.6055 10 Q 5.0772 8.6933 121.7689 54.4235 30.5606 175.3328 11 I 4.4336 8.7167 125.1820 60.0279 39.7535 175.0052 12 L 3.6381 10.3170 129.9849 56.4400 40.1409 174.2351 13 D 4.5532 8.1897 113.9629 54.6044 39.4146 174.2767 14 K 4.6418 7.7833 118.4535 54.3510 35.6173 174.2843 15 E 5.1313 8.3496 121.6062 54.7398 31.8854 174.5549 16 Y 4.6702 9.0977 123.7915 56.2839 41.6041 173.9140 17 C 5.1939 8.9333 124.9060 57.8760 32.8908 172.4974 18 I 4.7348 9.1690 119.8916 59.1651 41.0422 173.8213 19 N 5.3890 8.4304 119.9839 51.7690 40.2026 174.2661 20 C 4.6767 8.3600 115.8585 56.3974 32.3608 172.0247 21 P 4.4400 0.0000 0.0000 62.6728 31.9337 177.4937 22 D 4.3759 8.6158 120.2813 57.5102 40.9006 177.7902 23 D 4.6582 8.0647 115.6949 55.2083 41.5532 176.3335 24 E 4.5702 7.9255 117.0834 57.8260 31.1075 177.1562 25 R 3.6062 7.5948 116.0853 59.8313 30.2475 177.4525 26 A 3.9988 7.9853 119.2235 55.6112 18.4656 179.2729 27 N 4.3063 8.1100 114.1634 56.5288 38.6788 177.5206 28 L 4.0581 8.4918 120.6518 57.5268 41.6836 179.2708 29 E 4.0921 8.3187 118.6701 59.1254 29.3077 179.3985 30 S 4.2065 7.9596 115.0911 61.2744 62.7938 176.4126 31 A 3.9505 7.7923 123.5034 54.9225 18.0966 179.5892 32 A 3.9072 8.0734 119.3655 55.4373 18.5202 180.0787 33 R 3.9767 8.0537 116.6675 59.4412 30.0017 178.7872 34 Y 3.9775 8.2751 119.3674 60.5723 38.6344 177.7259 35 L 4.0672 8.1277 118.7977 57.9512 41.8845 178.4348 36 D 4.6241 8.3755 116.9288 57.5405 41.4013 178.5759 37 G 3.7063 8.0726 105.7518 47.5043 0.0000 176.7979 38 K 3.8611 7.8266 120.8721 56.5945 32.1827 178.5025 *40 R 4.2530 8.0137 118.6487 55.7202 32.1887 177.6924 41 E 3.8702 8.2121 117.3920 59.3642 29.9002 178.6596 42 I 3.8372 7.8041 119.8782 64.2263 36.7721 178.3022 43 R 3.8972 7.9683 119.3616 59.4216 29.8005 177.9201 44 S 4.4265 7.8413 110.8265 59.4837 63.4268 175.4747 45 S 4.3974 7.9880 117.9624 58.6393 63.1707 174.4595 46 G 3.9892 7.5281 109.3450 46.5692 0.0000 174.2162 47 K 4.3598 7.7735 117.4573 55.5470 33.3848 176.5600 48 V 4.2490 7.5164 117.9703 60.8394 33.0836 174.4285 49 I 4.0437 8.2798 128.7849 61.5363 38.2369 176.4462 50 G 3.8868 8.8805 112.0638 45.9417 0.0000 174.0312 51 A 4.0087 8.8130 125.6971 55.2655 18.4476 179.5889 52 D 4.3557 8.0780 117.1459 56.6254 39.2299 178.6792 53 R 3.9173 7.7598 118.9634 59.0920 30.2460 178.1726 54 V 3.7236 7.7095 117.3243 65.7211 31.8034 177.6063 55 A 4.1979 8.0749 120.7045 54.9341 18.2519 180.3596 56 V 3.8518 7.6829 115.2530 63.2470 31.6204 177.8518 *58 A 4.2109 8.0265 120.8716 51.6764 20.5136 179.8054 59 A 4.0549 8.4071 117.9766 55.1799 18.2960 179.6566 60 L 3.9461 8.5843 119.3713 58.0071 42.2584 178.7064 61 N 4.3030 8.1085 116.6587 56.8942 39.0950 176.6688 62 I 3.6065 7.9768 119.8089 64.1141 38.0871 177.8674 63 T 3.9425 7.9061 116.7845 66.3723 68.0556 176.2917 64 H 4.2401 8.1715 120.6303 59.0735 29.8110 177.1031 65 D 4.4228 8.0598 120.5004 57.2623 40.7119 178.6336 66 L 3.9264 7.9663 119.4879 57.7927 41.5611 179.6622 67 L 3.9711 7.8201 118.7845 57.9289 41.4544 179.2825 68 H 4.2669 7.6962 114.8888 58.9763 28.6309 178.1105 69 R 3.9177 8.1993 119.9804 59.0375 29.8419 179.0617 70 K 3.9386 8.1862 119.6895 59.1996 32.2550 178.6066 71 E 3.9533 8.1781 119.9576 59.0903 29.5895 178.7190 72 R 3.9009 8.2117 118.9919 59.1677 30.1019 178.2493 73 L 3.9403 8.1253 120.3264 58.3828 42.2418 178.8043 74 D 4.3796 8.1987 118.6123 57.0514 40.5701 178.9238 75 Q 3.9427 7.8515 118.4598 59.1001 28.8794 178.1651 76 E 3.9399 8.1583 119.5116 59.6285 29.4962 179.5684 77 S 4.0793 8.2808 113.1916 61.4011 62.3504 176.1645 78 S 4.1846 7.9444 115.2987 60.9699 62.0632 176.4558 79 S 4.0973 8.1686 118.3461 61.7287 62.5812 176.4337 80 T 3.8297 7.9495 118.3945 66.8673 68.2641 176.3442 81 R 3.8674 7.9933 120.3299 59.8544 29.9497 178.2822 82 E 4.0308 7.9735 117.9612 59.1242 29.4119 179.2005 83 R 3.9069 8.1696 118.9867 59.3047 30.0704 178.7377 84 V 3.5725 8.1428 118.5547 65.9819 31.5344 178.0523 85 R 3.8686 8.0617 118.5957 59.2414 29.6715 178.1529 86 E 3.9700 8.2442 119.3576 59.0987 29.7255 178.8333 87 L 4.0982 8.2921 119.5040 57.7833 41.7573 179.4531 88 L 4.0698 8.2491 119.1182 57.5712 41.4677 179.0355 89 D 4.3610 7.9941 117.8988 57.2624 41.0515 178.4480 90 R 4.0162 7.6392 117.3736 58.7476 30.1565 179.1329 91 V 3.5435 7.5624 117.9402 65.8465 31.3179 177.3416 92 D 4.3355 7.7890 116.5577 57.5443 41.2843 178.2360 93 R 4.0396 7.9603 118.0151 59.4153 29.9369 178.8887 94 A 3.9792 7.9777 118.9788 55.0772 18.0703 179.0845 95 L 4.2015 7.8111 116.2494 56.7574 41.7490 178.4536 96 A 4.0334 7.9199 119.1760 53.5991 18.4811 177.0382 97 N 4.4684 7.6167 119.5701 53.5232 39.9975 174.2536 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 6 T 8.17 4.53 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 1.25 0.00 0.00 7 L 8.96 4.68 0.00 1.77 1.53 0.98 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 8 T 9.33 5.18 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 1.24 0.00 0.00 9 V 8.80 4.61 2.12 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 0.77 0.00 0.00 0.98 0.00 0.00 10 Q 8.69 5.08 0.00 1.95 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.80 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 11 I 8.72 4.43 1.91 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.83 0.89 0.00 0.00 12 L 10.32 3.64 0.00 1.74 1.72 0.95 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 13 D 8.19 4.55 0.00 2.90 2.79 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 0.00 0.00 0.00 14 K 7.78 4.64 0.00 1.98 1.40 0.00 1.66 0.00 0.00 1.47 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.30 1.49 7.81 15 E 8.35 5.13 0.00 1.89 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 2.21 2.32 0.00 16 Y 9.10 4.67 0.00 2.94 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 17 C 8.93 5.19 0.00 2.98 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 18 I 9.17 4.73 1.89 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 1.42 1.20 0.96 0.00 0.00 19 N 8.43 5.39 0.00 2.61 2.77 0.00 0.00 6.75 7.66 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 20 C 8.36 4.68 0.00 3.02 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 21 P 0.00 4.44 0.00 2.19 2.01 0.00 3.74 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 2.23 2.11 0.00 22 D 8.62 4.38 0.00 2.74 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 23 D 8.06 4.66 0.00 2.63 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 E 7.93 4.57 0.00 2.19 1.92 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 2.21 2.26 0.00 25 R 7.59 3.61 0.00 1.95 1.86 0.00 3.12 0.00 0.00 3.18 7.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 26 A 7.99 4.00 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 27 N 8.11 4.31 0.00 2.86 2.86 0.00 0.00 7.11 6.74 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 28 L 8.49 4.06 0.00 1.75 1.70 0.91 0.90 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 29 E 8.32 4.09 0.00 2.19 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 2.61 0.00 30 S 7.96 4.21 0.00 4.07 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 31 A 7.79 3.95 1.28 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 0.00 0.00 0.00 32 A 8.07 3.91 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 33 R 8.05 3.98 0.00 2.10 2.03 0.00 3.15 0.00 0.00 3.11 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.76 0.00 34 Y 8.28 3.98 0.00 3.16 3.12 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 35 L 8.13 4.07 0.00 1.85 1.73 0.86 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 36 D 8.38 4.62 0.00 2.71 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 37 G 8.07 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.83 3.86 0.00 1.53 1.74 0.00 1.35 0.00 0.00 1.20 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.33 1.44 7.81 *40 R 8.01 4.25 0.00 2.06 1.99 0.00 3.36 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.88 0.00 41 E 8.21 3.87 0.00 2.08 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 2.29 2.31 0.00 42 I 7.80 3.84 1.86 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 1.39 0.49 0.90 0.00 0.00 43 R 7.97 3.90 0.00 1.87 1.92 0.00 3.17 0.00 0.00 3.39 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 44 S 7.84 4.43 0.00 4.08 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 45 S 7.99 4.40 0.00 4.05 4.19 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 46 G 7.53 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 47 K 7.77 4.36 0.00 1.69 1.82 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.49 7.81 48 V 7.52 4.25 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 0.87 0.00 0.00 0.93 0.00 0.00 49 I 8.28 4.04 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 1.35 0.94 0.91 0.00 0.00 50 G 8.88 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 51 A 8.81 4.01 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 52 D 8.08 4.36 0.00 2.90 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 53 R 7.76 3.92 0.00 1.92 2.00 0.00 3.24 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 54 V 7.71 3.72 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 0.87 0.00 0.00 1.00 0.00 0.00 55 A 8.07 4.20 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 56 V 7.68 3.85 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 0.83 0.00 0.00 0.97 0.00 0.00 *58 A 8.03 4.21 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 59 A 8.41 4.05 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 60 L 8.58 3.95 0.00 1.78 1.73 0.93 0.50 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 61 N 8.11 4.30 0.00 2.86 3.04 0.00 0.00 6.85 7.62 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 62 I 7.98 3.61 1.98 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.06 0.92 0.00 0.00 63 T 7.91 3.94 4.43 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 1.20 0.00 0.00 64 H 8.17 4.24 0.00 3.37 3.56 0.00 5.78 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 65 D 8.06 4.42 0.00 2.65 2.64 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 0.00 0.00 0.00 66 L 7.97 3.93 0.00 1.80 1.66 0.84 0.40 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 67 L 7.82 3.97 0.00 1.76 1.62 0.89 0.96 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 68 H 7.70 4.27 0.00 3.32 3.27 0.00 5.62 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 69 R 8.20 3.92 0.00 1.82 1.95 0.00 3.08 0.00 0.00 3.06 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 70 K 8.19 3.94 0.00 1.95 1.97 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.57 7.81 71 E 8.18 3.95 0.00 2.35 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 2.31 2.31 0.00 72 R 8.21 3.90 0.00 1.91 2.05 0.00 3.14 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 73 L 8.13 3.94 0.00 1.91 1.82 0.91 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 74 D 8.20 4.38 0.00 2.97 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 75 Q 7.85 3.94 0.00 2.30 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.59 0.00 76 E 8.16 3.94 0.00 2.02 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 2.33 2.47 0.00 77 S 8.28 4.08 0.00 3.96 3.87 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 78 S 7.94 4.18 0.00 4.07 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 79 S 8.17 4.10 0.00 4.03 3.88 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 80 T 7.95 3.83 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 1.21 0.00 0.00 81 R 7.99 3.87 0.00 1.95 1.94 0.00 3.08 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 82 E 7.97 4.03 0.00 2.20 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 2.47 2.45 0.00 83 R 8.17 3.91 0.00 1.88 2.03 0.00 3.09 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 1.62 1.63 0.00 84 V 8.14 3.57 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 1.02 0.00 0.00 0.96 0.00 0.00 85 R 8.06 3.87 0.00 2.04 2.05 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 1.62 1.63 0.00 86 E 8.24 3.97 0.00 2.14 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 0.00 2.30 2.34 0.00 87 L 8.29 4.10 0.00 1.89 1.69 0.92 0.62 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 88 L 8.25 4.07 0.00 1.72 1.71 0.92 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 89 D 7.99 4.36 0.00 2.93 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 90 R 7.64 4.02 0.00 2.09 1.96 0.00 3.18 0.00 0.00 3.09 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.84 0.00 91 V 7.56 3.54 2.25 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 0.99 0.00 0.00 0.95 0.00 0.00 92 D 7.79 4.34 0.00 2.71 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 93 R 7.96 4.04 0.00 2.06 1.96 0.00 3.19 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 94 A 7.98 3.98 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 95 L 7.81 4.20 0.00 1.91 1.72 0.92 0.57 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 96 A 7.92 4.03 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 97 N 7.62 4.47 0.00 2.57 2.65 0.00 0.00 6.79 7.44 0.00 0.00 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.