NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 L 4.5256 8.1801 120.5947 54.2757 43.2616 176.2829 6 A 4.0755 8.6227 124.1073 52.0555 19.5508 174.9116 7 D 5.4190 8.5160 120.2193 53.2306 43.6501 174.9084 8 V 4.5096 8.5081 120.1929 59.9682 34.9359 174.4090 9 C 4.7306 8.8692 122.8172 56.6585 35.4429 174.2543 10 R 3.7828 8.7373 125.5605 59.7780 29.6593 178.6687 11 T 3.9759 7.6999 105.9546 63.6853 68.7977 175.0763 12 K 4.2049 7.6453 120.2881 56.8713 32.6504 177.1289 13 L 3.8176 7.1928 118.6258 53.3208 42.3037 175.7485 14 P 4.2871 0.0000 0.0000 62.7125 33.1563 177.8808 15 S 4.1080 8.5540 115.6361 61.9019 62.8332 176.9237 16 Q 4.1395 8.0191 120.8627 58.4598 28.5173 178.1746 17 A 4.0175 7.7900 121.4787 55.2476 18.4399 179.4448 18 Q 3.8776 7.9646 116.5002 59.2555 28.7808 178.7619 19 D 4.3924 8.2624 119.8831 57.8632 40.7672 179.1959 20 T 3.9856 7.8864 116.0522 66.5319 68.4444 176.7816 21 L 3.9229 8.1517 120.8157 57.7065 41.4904 179.4726 22 A 3.9646 8.0349 120.6693 55.0130 18.2879 179.6100 23 L 3.9038 8.0076 117.4585 58.1234 41.7611 179.7184 24 I 3.9925 8.2717 121.0565 63.8768 36.7791 178.4008 25 A 4.0764 8.0563 120.5699 53.9197 18.1592 178.7381 26 K 4.3055 7.3802 115.2982 55.8712 33.4858 176.0003 27 N 4.1396 8.9301 115.1435 54.8313 36.7602 175.4738 28 G 2.8676 7.6523 106.9742 43.9311 0.0000 171.8720 29 P 4.0749 0.0000 0.0000 62.7737 32.3041 175.2549 30 Y 4.6986 8.0934 118.4644 56.2926 39.1688 175.0354 31 P 4.2100 0.0000 0.0000 64.3287 32.2750 175.8534 32 Y 4.9366 7.6963 116.2937 55.3822 40.0582 174.5255 33 N 4.3066 8.9312 121.0410 55.7556 39.3402 174.7866 34 R 3.9177 8.9774 121.5102 56.6580 27.9976 175.5238 35 D 4.2544 8.0725 119.0224 55.9330 40.9813 177.0186 36 G 3.3962 7.6576 112.7914 44.8364 0.0000 173.8218 37 V 4.0545 7.0485 113.3004 60.5711 33.1057 175.8679 38 V 4.0135 8.1360 122.3434 61.7241 31.5594 175.3712 39 F 4.6890 8.6621 126.9987 56.4035 38.4678 176.3856 40 E 3.8624 8.3654 126.6955 57.3388 29.7489 177.0631 41 N 3.5754 5.7700 112.8831 54.1481 37.9057 176.2258 42 R 3.8513 6.9134 114.6420 58.4281 30.2126 177.7780 43 E 4.1705 8.0097 114.9056 56.1317 29.8228 176.2369 44 S 3.7281 7.7020 114.2695 59.6410 60.9567 173.5986 45 R 4.2627 8.2439 118.6814 57.2366 30.7737 177.0008 46 L 4.3548 7.4252 116.8546 51.4980 43.7309 174.3860 47 P 4.1927 0.0000 0.0000 62.8379 31.6914 176.4625 48 K 4.0394 8.5847 123.8227 56.6013 32.4850 175.8505 49 K 4.4451 8.2672 124.2391 54.2196 36.3605 175.8405 50 G 3.7800 8.0696 107.9465 45.2236 0.0000 172.8411 51 N 4.1756 8.6242 117.5937 54.8868 38.8762 175.4164 52 G 3.9080 8.8765 109.2456 46.5679 0.0000 174.0411 53 Y 4.0223 7.8857 123.8779 59.6501 39.1982 175.1342 54 Y 5.7520 7.6921 116.0138 56.1630 40.7543 174.7082 55 H 5.5624 8.7042 115.5398 54.0281 33.1501 172.2764 56 E 5.2976 8.7823 118.7465 54.8197 32.9018 174.8356 57 F 5.0201 9.2065 118.8980 56.2160 43.7954 174.0475 58 T 4.5189 9.4357 119.9612 63.3595 69.2665 174.2345 59 V 4.5234 8.1442 125.9866 60.7287 33.3299 175.7671 60 V 3.5532 8.7152 127.8128 63.3849 32.1769 175.0224 61 T 4.5122 8.2573 123.5930 60.8187 69.6237 171.9577 62 P 4.5776 0.0000 0.0000 62.5394 31.9360 176.7752 63 G 4.1141 8.2497 111.0972 43.4377 0.0000 173.6321 64 S 4.2594 8.7865 128.0927 59.0963 61.5713 176.1191 *67 R 3.9587 9.2263 128.1746 54.9856 32.3272 175.8160 68 G 3.7469 7.9202 105.6507 46.0110 0.0000 172.8901 69 T 4.2373 7.9713 106.6337 61.1840 71.4472 174.6040 70 R 4.2707 7.7237 122.6696 56.2267 31.3834 175.7305 71 R 5.1342 8.6523 121.6315 54.6523 35.2246 174.0416 72 V 5.1087 8.9943 121.3197 61.2533 34.7764 174.3697 73 V 5.1561 9.1013 127.0352 61.4119 34.3246 174.4292 74 T 5.2570 9.3376 117.8526 60.2230 71.9751 173.4127 75 G 4.3701 8.9245 109.7352 44.1118 0.0000 174.4255 76 G 3.2418 5.9127 107.0538 47.0471 0.0000 174.2710 77 Y 4.4369 8.2336 116.6463 57.8153 38.1997 176.3694 78 G 4.0180 8.1575 107.6996 45.0585 0.0000 174.1205 79 E 4.1991 8.1201 118.9147 56.3915 30.9344 175.8628 80 Q 5.0155 8.2641 120.3986 54.4182 33.0611 173.7783 81 Y 5.2973 9.3490 120.6993 55.9922 42.0957 174.1179 82 W 5.4650 9.6975 133.5834 55.9003 33.5731 174.6675 83 S 4.4126 8.6431 120.9825 54.5421 64.2828 172.4884 84 P 3.7452 0.0000 0.0000 63.4694 31.5529 175.7932 85 D 4.5627 6.5994 119.4470 53.3940 39.7616 174.3658 86 H 3.1881 7.9385 114.1884 58.8609 28.1936 174.5584 87 Y 2.9464 7.4512 112.3613 58.0539 36.2277 170.9686 88 A 4.1001 7.5391 124.4028 54.6605 18.7421 178.6401 89 T 4.6846 7.8873 104.3441 59.7534 71.9203 172.6089 90 F 5.2958 8.5488 120.1835 55.9223 42.9393 174.2146 91 Q 5.0135 9.3877 121.0895 54.0924 32.2852 174.3258 92 E 4.5533 9.2797 125.3397 55.8186 31.0557 175.3839 93 I 4.5176 8.4609 129.0768 61.0180 38.2482 175.0567 94 D 4.7524 9.3068 128.6755 52.4357 41.4689 175.1501 95 P 4.4846 0.0000 0.0000 64.3176 31.8796 177.4259 96 R 4.1902 8.0523 117.9002 57.8015 30.6506 174.0769 97 C 4.4513 7.7909 118.0858 55.5743 42.7862 173.6729 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 5 L 8.18 4.53 0.00 1.70 1.84 1.06 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 6 A 8.62 4.08 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 7 D 8.52 5.42 0.00 2.59 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.51 4.51 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 0.93 0.00 0.00 0.89 0.00 0.00 9 C 8.87 4.73 0.00 2.98 3.08 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 10 R 8.74 3.78 0.00 1.90 2.02 0.00 3.20 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.70 0.00 11 T 7.70 3.98 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 1.24 0.00 0.00 12 K 7.65 4.20 0.00 1.89 1.85 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.52 7.81 13 L 7.19 3.82 0.00 1.51 1.07 0.72 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 14 P 0.00 4.29 0.00 1.98 1.92 0.00 2.59 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.06 0.00 15 S 8.55 4.11 0.00 4.02 4.09 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 0.00 0.00 0.00 0.00 16 Q 8.02 4.14 0.00 2.20 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.94 0.00 0.00 0.00 0.00 0.00 2.57 2.51 0.00 17 A 7.79 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 Q 7.96 3.88 0.00 2.23 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.72 0.00 0.00 0.00 0.00 0.00 2.28 2.44 0.00 19 D 8.26 4.39 0.00 2.90 2.75 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 0.00 0.00 0.00 20 T 7.89 3.99 4.48 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 1.33 0.00 0.00 21 L 8.15 3.92 0.00 1.80 1.69 0.88 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 22 A 8.03 3.96 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 23 L 8.01 3.90 0.00 2.02 1.83 1.06 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 24 I 8.27 3.99 1.84 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.06 1.49 0.71 0.00 0.00 25 A 8.06 4.08 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 26 K 7.38 4.31 0.00 1.81 1.85 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.57 1.54 7.81 27 N 8.93 4.14 0.00 2.87 2.95 0.00 0.00 6.95 7.27 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 28 G 7.65 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 0.00 0.00 0.00 29 P 0.00 4.07 0.00 2.10 1.97 0.00 3.62 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.90 0.00 30 Y 8.09 4.70 0.00 3.24 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 31 P 0.00 4.21 0.00 1.24 1.86 0.00 4.02 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 0.91 1.62 0.00 32 Y 7.70 4.94 0.00 3.45 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 33 N 8.93 4.31 0.00 2.75 2.84 0.00 0.00 7.09 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 34 R 8.98 3.92 0.00 2.12 2.03 0.00 3.20 0.00 0.00 3.35 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 35 D 8.07 4.25 0.00 2.87 2.59 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 36 G 7.66 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 0.00 0.00 0.00 37 V 7.05 4.05 2.05 0.00 0.00 0.00 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 0.94 0.00 0.00 38 V 8.14 4.01 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 0.62 0.00 0.00 0.92 0.00 0.00 39 F 8.66 4.69 0.00 3.08 3.01 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 40 E 8.37 3.86 0.00 1.71 1.77 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 2.24 2.10 0.00 41 N 5.77 3.58 0.00 2.80 2.74 0.00 0.00 7.06 7.53 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 42 R 6.91 3.85 0.00 1.67 1.89 0.00 3.30 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 43 E 8.01 4.17 0.00 1.98 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 2.28 2.28 0.00 44 S 7.70 3.73 0.00 3.97 3.91 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 45 R 8.24 4.26 0.00 2.08 2.21 0.00 3.52 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 1.67 1.86 0.00 46 L 7.43 4.35 0.00 1.05 0.77 -0.69 -0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.19 0.00 2.17 2.08 0.00 3.56 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.17 0.00 48 K 8.58 4.04 0.00 1.69 1.71 0.00 1.60 0.00 0.00 1.69 0.00 0.00 3.09 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.51 7.81 49 K 8.27 4.45 0.00 1.33 0.80 0.00 0.63 0.00 0.00 1.30 0.00 0.00 2.88 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.34 0.33 7.81 50 G 8.07 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 51 N 8.62 4.18 0.00 2.72 2.79 0.00 0.00 6.94 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 52 G 8.88 3.91 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 0.00 0.00 0.00 53 Y 7.89 4.02 0.00 2.97 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 54 Y 7.69 5.75 0.00 3.47 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 55 H 8.70 5.56 0.00 3.13 3.03 0.00 5.56 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 E 8.78 5.30 0.00 2.23 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 0.00 2.09 2.29 0.00 57 F 9.21 5.02 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 58 T 9.44 4.52 4.45 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 1.03 0.00 0.00 59 V 8.14 4.52 2.33 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 0.96 0.00 0.00 1.21 0.00 0.00 60 V 8.72 3.55 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 1.13 0.00 0.00 61 T 8.26 4.51 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 1.21 0.00 0.00 62 P 0.00 4.58 0.00 2.18 2.07 0.00 3.72 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 2.00 2.10 0.00 63 G 8.25 4.11 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 0.00 0.00 0.00 64 S 8.79 4.26 0.00 3.85 3.27 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 0.00 *67 R 9.23 3.96 0.00 1.66 1.90 0.00 3.31 0.00 0.00 3.09 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.54 0.00 68 G 7.92 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 69 T 7.97 4.24 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 1.08 0.00 0.00 70 R 7.72 4.27 0.00 2.04 2.07 0.00 3.15 0.00 0.00 3.50 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.63 0.00 71 R 8.65 5.13 0.00 1.20 1.69 0.00 3.26 0.00 0.00 3.02 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.61 0.00 72 V 8.99 5.11 2.33 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 1.24 0.00 0.00 1.22 0.00 0.00 73 V 9.10 5.16 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 0.81 0.00 0.00 0.69 0.00 0.00 74 T 9.34 5.26 4.35 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 1.30 0.00 0.00 75 G 8.92 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 0.00 0.00 0.00 0.00 76 G 5.91 3.24 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 0.00 0.00 0.00 0.00 77 Y 8.23 4.44 0.00 3.08 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 78 G 8.16 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 0.00 0.00 0.00 79 E 8.12 4.20 0.00 2.18 1.71 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 2.57 2.50 0.00 80 Q 8.26 5.02 0.00 1.90 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.86 0.00 0.00 0.00 0.00 0.00 2.33 2.51 0.00 81 Y 9.35 5.30 0.00 3.01 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 82 W 9.70 5.46 0.00 3.34 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 83 S 8.64 4.41 0.00 2.98 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 84 P 0.00 3.75 0.00 2.07 2.01 0.00 3.23 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.82 0.00 85 D 6.60 4.56 0.00 2.70 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 86 H 7.94 3.19 0.00 3.14 3.30 0.00 5.84 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 Y 7.45 2.95 0.00 3.26 3.23 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 88 A 7.54 4.10 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 89 T 7.89 4.68 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 1.17 0.00 0.00 90 F 8.55 5.30 0.00 2.88 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 91 Q 9.39 5.01 0.00 2.25 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.00 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 92 E 9.28 4.55 0.00 2.22 1.89 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 2.21 2.06 0.00 93 I 8.46 4.52 1.95 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 1.16 0.78 0.88 0.00 0.00 94 D 9.31 4.75 0.00 2.94 2.55 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 95 P 0.00 4.48 0.00 2.20 2.28 0.00 3.80 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 96 R 8.05 4.19 0.00 1.84 2.01 0.00 3.13 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 97 C 7.79 4.45 0.00 3.02 3.09 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.