NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4537 8.3049 118.1947 54.7131 32.6023 174.5845 2 K 4.1125 8.2126 118.6989 53.9386 33.1715 176.0544 3 T 4.1417 8.9911 113.4142 60.7746 70.9872 173.1064 4 P 4.2477 0.0000 0.0000 66.1048 31.1099 178.8154 5 E 4.0494 8.1255 113.8157 59.2698 29.5475 178.1534 6 D 4.5037 7.9666 118.6755 55.2933 41.3851 176.7299 7 C 4.3245 7.3210 117.5171 60.4576 28.4618 173.6678 8 T 4.3960 8.6517 113.2780 60.8396 68.8435 174.2696 9 G 3.9469 7.1152 108.1370 43.6546 0.0000 174.0470 10 L 4.0522 7.9578 119.0216 57.2400 41.4364 179.7033 11 A 3.9645 7.9326 120.6939 55.2340 18.4214 178.9850 12 D 4.3302 8.1160 116.8715 57.7041 40.9263 179.1475 13 I 3.7114 7.4413 119.5663 64.5779 37.1752 178.7870 14 R 3.9598 8.4582 119.2508 59.2667 29.7570 179.0785 15 E 3.9928 8.4552 118.3382 59.1557 29.3874 179.0975 16 A 3.9857 8.1485 120.9025 55.3365 18.3952 179.8235 17 I 3.6924 7.9376 118.3026 64.6107 37.1524 178.4805 18 D 4.3988 8.2785 119.8300 57.1548 40.5748 178.8054 19 R 3.9376 8.2816 119.6822 59.2520 30.0824 178.6981 20 I 3.7238 8.0285 120.0378 64.5080 37.1100 178.1031 21 D 4.3764 8.4600 120.1841 57.3178 40.5347 178.6833 22 L 3.9650 7.9840 120.8593 58.1421 41.9800 178.7013 23 D 4.3677 8.0737 118.9755 57.4253 40.6642 178.8860 24 I 3.7168 7.8276 120.2734 64.2950 37.0577 178.6603 25 V 3.6020 7.9862 119.1672 66.2272 31.3771 178.1385 26 Q 4.0109 8.4625 117.8361 58.8387 28.4185 178.6223 27 A 4.0704 8.3336 122.2402 55.2268 18.5318 179.7131 28 L 4.1759 8.4293 118.0321 57.7321 41.3848 180.0668 29 G 3.6544 8.3303 106.0066 48.0022 0.0000 176.1211 30 R 4.0308 8.3222 120.9619 58.6218 29.9655 178.9460 31 R 4.1339 8.5001 119.0265 59.9871 30.0472 178.1663 32 M 4.2061 8.3737 117.5728 58.8504 32.1456 177.8744 33 D 4.3067 7.8569 118.8626 57.5925 40.9625 178.4441 34 Y 4.0374 8.0635 117.2437 61.0276 37.6816 178.4705 35 V 3.7646 8.1648 118.4438 66.0632 31.8936 177.9539 36 K 4.1389 8.4491 118.1333 59.4417 31.8825 179.2608 37 A 4.0980 8.2218 120.6391 54.7691 17.9996 179.2966 38 A 4.1903 7.8812 119.2861 55.5136 18.6793 179.6822 39 S 4.2794 8.1233 112.1783 61.1272 62.8677 176.0525 40 R 3.9009 7.8418 120.5304 57.7728 29.6170 175.8102 41 F 4.5643 7.9050 114.4911 58.8211 41.7240 172.9480 *49 P 4.1373 0.0000 0.0000 62.0471 32.5113 176.8166 50 A 4.2061 8.2452 122.5889 51.4870 20.4429 176.9102 51 P 4.2562 0.0000 0.0000 65.3597 31.3573 179.0431 52 E 3.8391 8.0625 117.9542 59.2197 29.6577 178.1422 53 R 3.8080 8.0259 118.2310 59.7180 30.0431 178.1340 54 V 3.5292 7.7215 117.0925 66.1660 31.3357 177.9385 55 A 4.0048 7.8708 118.6201 54.7172 18.4786 178.9068 56 A 4.1400 7.7963 119.2714 54.8665 18.8725 179.7086 57 M 3.8857 8.1523 117.4631 58.3699 31.9788 178.6955 58 L 3.8226 7.6323 118.9632 57.5274 41.7828 177.7419 59 P 4.0868 0.0000 0.0000 65.5076 31.1945 178.0745 60 E 3.4151 7.3530 116.4565 59.3587 29.3580 179.2574 61 R 3.2103 7.3825 117.5992 58.7299 29.9477 178.9290 62 A 3.9177 7.8363 120.9367 54.9393 18.3622 179.5952 63 R 3.7518 7.8444 117.3744 59.4788 30.0947 178.7265 64 W 4.5775 7.9693 118.5334 59.7729 28.9232 178.1733 65 A 4.1009 8.4148 120.9789 55.4767 17.8153 179.6180 66 E 3.9531 8.2147 116.8574 59.6022 29.3799 179.3242 67 E 4.2439 8.3087 116.9273 58.1248 29.4484 177.3906 68 N 4.8820 7.6209 115.7422 52.6481 39.0301 174.8051 69 G 3.9732 8.1013 104.5968 46.5946 0.0000 174.1697 70 L 4.7645 7.8374 118.2966 51.9545 44.6917 176.5052 71 D 4.4904 8.5872 119.1011 54.0189 41.9206 176.4727 72 A 3.9994 8.6592 129.3156 54.9054 18.5857 177.2278 73 P 4.1965 0.0000 0.0000 65.7520 31.3648 178.2986 74 F 4.3520 8.9058 119.5933 61.5946 39.3283 177.2006 75 V 3.2371 7.9133 117.5439 65.9551 31.3588 177.6867 76 E 4.1046 8.9890 119.4875 59.1511 29.4677 178.9333 77 G 3.6384 8.4784 106.2772 47.6136 0.0000 175.1589 78 L 3.7379 7.8703 123.1180 58.1598 42.0477 179.3210 79 F 3.9298 8.2846 117.0443 60.0262 38.6846 177.6346 80 A 4.1112 8.1181 120.8707 55.2240 18.1724 179.7041 81 Q 4.0190 8.0981 116.5852 59.0382 28.6879 178.9621 82 I 3.7088 7.5182 120.5236 64.4770 37.0820 178.4747 83 I 3.7052 8.2322 120.8456 64.6365 36.8822 177.7780 84 H 4.1598 8.6138 119.3284 59.3486 29.6929 177.0675 85 W 4.1622 9.0037 130.3230 60.7191 30.5355 177.5976 86 Y 4.0802 8.9326 117.2404 60.9067 37.1419 178.2428 87 I 3.7064 8.2780 120.9996 64.5362 37.3173 178.3676 88 A 3.8906 7.6918 121.0577 54.9006 17.8661 179.5595 89 E 3.6957 7.5169 116.6738 59.3328 29.4629 179.2315 90 Q 4.0342 7.7737 117.6191 58.9531 28.9412 178.0316 91 I 3.7422 7.2276 119.9515 64.5470 37.3243 176.4970 92 K 4.0865 7.5723 122.8724 56.8616 32.1467 176.0496 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 2.14 2.16 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.57 0.00 2 K 8.21 4.11 0.00 1.85 1.77 0.00 1.99 0.00 0.00 1.90 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.49 7.81 3 T 8.99 4.14 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 4 P 0.00 4.25 0.00 2.18 2.17 0.00 3.60 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.17 0.00 5 E 8.13 4.05 0.00 2.12 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 2.28 2.40 0.00 6 D 7.97 4.50 0.00 2.94 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 7 C 7.32 4.32 0.00 3.14 2.88 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 8 T 8.65 4.40 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 1.28 0.00 0.00 9 G 7.12 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 10 L 7.96 4.05 0.00 1.70 1.73 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 11 A 7.93 3.96 1.31 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 0.00 0.00 12 D 8.12 4.33 0.00 2.89 2.74 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 0.00 0.00 0.00 13 I 7.44 3.71 2.01 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 0.85 0.91 0.00 0.00 14 R 8.46 3.96 0.00 1.80 1.98 0.00 3.12 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.86 0.00 15 E 8.46 3.99 0.00 2.15 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 2.33 2.46 0.00 16 A 8.15 3.99 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 17 I 7.94 3.69 1.88 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 0.80 0.92 0.00 0.00 18 D 8.28 4.40 0.00 2.83 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 19 R 8.28 3.94 0.00 2.00 2.14 0.00 3.15 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 20 I 8.03 3.72 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 0.79 0.93 0.00 0.00 21 D 8.46 4.38 0.00 2.72 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 22 L 7.98 3.97 0.00 1.89 1.86 0.93 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 23 D 8.07 4.37 0.00 2.97 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 24 I 7.83 3.72 2.05 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 0.89 0.89 0.00 0.00 25 V 7.99 3.60 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 1.13 0.00 0.00 1.01 0.00 0.00 26 Q 8.46 4.01 0.00 2.28 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.68 0.00 27 A 8.33 4.07 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 28 L 8.43 4.18 0.00 1.98 1.93 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.33 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 8.32 4.03 0.00 2.17 2.24 0.00 3.28 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.92 0.00 31 R 8.50 4.13 0.00 2.19 2.41 0.00 3.08 0.00 0.00 2.63 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.74 0.00 32 M 8.37 4.21 0.00 2.34 1.98 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.48 0.00 33 D 7.86 4.31 0.00 2.74 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 34 Y 8.06 4.04 0.00 3.34 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 35 V 8.16 3.76 2.44 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 1.00 0.00 0.00 1.18 0.00 0.00 36 K 8.45 4.14 0.00 2.07 1.84 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.52 7.81 37 A 8.22 4.10 1.48 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 0.00 0.00 38 A 7.88 4.19 1.52 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 0.00 0.00 39 S 8.12 4.28 0.00 4.07 4.16 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 0.00 0.00 0.00 0.00 40 R 7.84 3.90 0.00 1.65 1.68 0.00 3.00 0.00 0.00 3.07 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 1.32 0.00 41 F 7.91 4.56 0.00 3.04 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 *49 P 0.00 4.14 0.00 2.22 2.13 0.00 3.82 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.02 0.00 50 A 8.25 4.21 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 51 P 0.00 4.26 0.00 2.17 2.13 0.00 3.61 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 2.12 2.16 0.00 52 E 8.06 3.84 0.00 1.99 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 2.36 2.30 0.00 53 R 8.03 3.81 0.00 1.95 2.15 0.00 3.27 0.00 0.00 3.26 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.77 0.00 54 V 7.72 3.53 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 0.96 0.00 0.00 0.97 0.00 0.00 55 A 7.87 4.00 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 56 A 7.80 4.14 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 57 M 8.15 3.89 0.00 1.94 2.15 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.51 0.00 58 L 7.63 3.82 0.00 1.64 1.88 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 59 P 0.00 4.09 0.00 2.02 2.01 0.00 3.57 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.08 0.00 60 E 7.35 3.42 0.00 1.79 1.55 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 1.47 1.69 0.00 61 R 7.38 3.21 0.00 1.61 1.50 0.00 2.95 0.00 0.00 2.56 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.80 0.00 62 A 7.84 3.92 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 63 R 7.84 3.75 0.00 1.73 1.89 0.00 3.11 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.67 0.00 64 W 7.97 4.58 0.00 3.50 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 65 A 8.41 4.10 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.21 3.95 0.00 2.20 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 0.00 2.36 2.63 0.00 67 E 8.31 4.24 0.00 2.16 2.06 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 2.40 2.65 0.00 68 N 7.62 4.88 0.00 2.69 2.83 0.00 0.00 6.93 9.01 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 69 G 8.10 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 70 L 7.84 4.76 0.00 1.84 1.70 1.01 1.36 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 71 D 8.59 4.49 0.00 2.88 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 72 A 8.66 4.00 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 73 P 0.00 4.20 0.00 2.34 2.16 0.00 3.98 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.18 0.00 74 F 8.91 4.35 0.00 3.00 3.32 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 75 V 7.91 3.24 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 1.12 0.00 0.00 1.03 0.00 0.00 76 E 8.99 4.10 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 2.30 2.29 0.00 77 G 8.48 3.64 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 0.00 0.00 0.00 78 L 7.87 3.74 0.00 1.47 1.49 0.68 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 79 F 8.28 3.93 0.00 3.17 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 80 A 8.12 4.11 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 81 Q 8.10 4.02 0.00 2.25 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.61 0.00 82 I 7.52 3.71 1.87 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.67 0.44 0.00 0.00 83 I 8.23 3.71 1.94 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.96 0.97 0.00 0.00 84 H 8.61 4.16 0.00 3.39 3.67 0.00 5.78 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 85 W 9.00 4.16 0.00 3.59 3.30 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 86 Y 8.93 4.08 0.00 3.30 3.10 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 0.00 0.00 0.00 87 I 8.28 3.71 2.07 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 1.50 1.57 0.90 0.00 0.00 88 A 7.69 3.89 0.99 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 89 E 7.52 3.70 0.00 1.88 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 1.69 2.20 0.00 90 Q 7.77 4.03 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.83 0.00 0.00 0.00 0.00 0.00 2.41 2.70 0.00 91 I 7.23 3.74 1.92 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.60 0.86 0.00 0.00 92 K 7.57 4.09 0.00 1.73 1.77 0.00 1.70 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.38 1.38 7.81 * Residues marked with a * may have inaccurate shift predictions.