NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 42 M 4.5706 8.1633 120.7088 54.5110 33.3220 174.2186 43 K 4.2117 8.6219 125.1033 53.9701 32.8463 175.2091 44 Q 4.7398 9.8914 123.4441 53.5627 32.7760 172.5980 45 P 5.0344 0.0000 0.0000 63.0946 32.4322 175.3693 46 Y 4.7493 9.0103 124.0414 56.2361 42.6902 173.4293 47 A 4.5669 7.9427 128.8980 50.9273 19.6357 176.5715 48 V 3.9694 8.8608 123.8083 62.7729 33.0938 175.1123 49 V 5.0126 8.2579 126.7103 61.1484 34.0748 174.1880 50 A 4.8225 8.7612 128.0983 50.5816 23.0622 175.1963 51 S 4.7026 8.5438 115.1732 57.7789 64.5199 173.7051 52 C 4.2891 9.4321 124.0146 59.7377 31.8222 174.3737 53 A 3.8289 8.6873 128.9221 54.8487 18.0831 178.0776 54 Y 4.6221 7.7933 111.3415 58.6328 39.6963 176.0593 55 C 4.7243 7.5945 110.7892 56.5227 31.0614 174.8006 56 E 3.8550 8.2999 117.9704 56.5628 27.6818 174.3488 57 K 4.0935 7.5360 120.8573 56.6421 33.3891 175.9726 58 L 4.6028 8.4691 125.9860 54.6993 42.7752 176.3147 59 V 4.4333 9.1250 123.2117 61.1064 34.1701 174.2596 60 R 5.3522 8.6600 126.4894 54.3173 32.5334 175.0512 61 L 4.8619 8.8089 122.9427 54.5181 44.5022 175.0175 62 T 5.0871 8.4845 116.3722 62.1299 70.6866 174.2266 63 V 4.6124 8.8964 118.0048 59.4174 36.2619 174.2419 64 L 5.1634 8.3935 124.0244 53.6258 43.6908 175.2348 65 A 4.7774 8.6652 126.8291 50.7472 23.3091 175.3894 66 D 5.0112 8.5326 118.7408 52.2619 40.8587 176.9183 67 H 4.0608 8.9708 118.8289 59.9833 29.5453 177.4045 68 S 4.0031 8.1500 115.8307 61.2397 62.6929 176.4020 69 A 3.9598 8.1566 123.3728 55.1284 18.0341 179.7819 70 I 3.5047 7.7088 118.3877 64.2490 37.0824 178.5617 71 R 3.7822 8.0826 119.7754 59.4021 29.8260 178.1415 72 Q 3.9159 8.2686 119.6223 59.1936 29.0434 178.1923 73 L 3.9208 8.3092 121.4604 58.3635 41.9373 178.8164 74 E 4.0242 8.1575 117.3819 59.2507 29.4915 178.6601 75 E 4.0694 8.3405 119.4787 59.5908 29.7440 178.7478 76 M 4.1499 8.1904 120.2424 57.8975 31.7987 178.7397 77 L 4.4825 7.7011 119.1411 56.6220 41.7915 179.0138 78 L 4.2506 7.5808 121.4224 57.9415 41.6227 178.3639 79 R 4.5714 7.5459 112.6216 57.6867 33.2948 178.0657 80 S 4.4705 7.9878 112.3474 59.1776 63.9551 173.2083 81 L 4.8701 8.1104 123.3223 53.3854 45.3874 174.6526 82 N 5.2413 8.7579 122.3301 51.3823 41.9891 174.0518 83 I 4.3625 8.2054 115.4536 59.8750 40.3972 174.5595 84 V 4.6340 8.0605 121.8687 60.5955 34.1871 175.6856 85 C 4.5073 8.4727 121.6636 57.0891 31.7157 172.8876 86 P 4.2288 0.0000 0.0000 65.7434 31.0925 178.4623 87 L 4.0972 7.8203 118.4243 58.5150 42.1843 178.7053 88 C 4.1369 8.0596 115.9619 62.7560 27.9448 175.7826 89 T 3.9880 8.1349 116.7521 65.4595 68.0094 175.3694 90 L 4.6960 7.4316 118.5297 53.0694 43.7315 175.3740 91 Q 3.8252 8.3577 119.1137 57.5060 27.7528 172.1563 92 R 4.9585 7.9158 134.8509 57.3457 32.6419 174.6668 *93 Q 4.1545 8.2681 120.3401 54.8110 28.8128 177.4236 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 42 M 8.16 4.57 0.00 1.73 2.07 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.15 0.00 43 K 8.62 4.21 0.00 1.72 1.79 0.00 1.66 0.00 0.00 1.89 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.51 7.81 44 Q 9.89 4.74 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.00 0.00 0.00 0.00 0.00 0.00 2.42 2.34 0.00 45 P 0.00 5.03 0.00 1.99 2.04 0.00 3.70 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 46 Y 9.01 4.75 0.00 3.01 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 47 A 7.94 4.57 1.04 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 0.00 0.00 0.00 0.00 0.00 48 V 8.86 3.97 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 0.95 0.00 0.00 1.13 0.00 0.00 49 V 8.26 5.01 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 0.84 0.00 0.00 0.86 0.00 0.00 50 A 8.76 4.82 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 51 S 8.54 4.70 0.00 3.88 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 52 C 9.43 4.29 0.00 3.06 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 53 A 8.69 3.83 0.71 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 54 Y 7.79 4.62 0.00 3.00 2.98 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 55 C 7.59 4.72 0.00 3.08 3.16 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 56 E 8.30 3.85 0.00 2.19 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 0.00 2.24 2.37 0.00 57 K 7.54 4.09 0.00 1.83 1.70 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.44 7.81 58 L 8.47 4.60 0.00 1.55 1.58 0.92 0.82 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 59 V 9.13 4.43 2.16 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 0.99 0.00 0.00 0.94 0.00 0.00 60 R 8.66 5.35 0.00 1.68 1.78 0.00 3.20 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.56 0.00 61 L 8.81 4.86 0.00 1.72 1.70 0.95 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 62 T 8.48 5.09 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 1.22 0.00 0.00 63 V 8.90 4.61 2.13 0.00 0.00 0.00 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 1.14 0.00 0.00 64 L 8.39 5.16 0.00 1.62 1.56 0.98 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 65 A 8.67 4.78 1.20 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 0.00 0.00 66 D 8.53 5.01 0.00 2.84 2.81 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 67 H 8.97 4.06 0.00 3.18 3.30 0.00 5.69 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 68 S 8.15 4.00 0.00 4.04 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 69 A 8.16 3.96 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 70 I 7.71 3.50 1.72 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.46 -0.18 0.00 0.00 71 R 8.08 3.78 0.00 1.89 2.01 0.00 3.07 0.00 0.00 3.00 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 72 Q 8.27 3.92 0.00 2.34 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.58 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 73 L 8.31 3.92 0.00 1.81 1.78 0.93 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 74 E 8.16 4.02 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 2.48 2.48 0.00 75 E 8.34 4.07 0.00 2.07 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 0.00 2.29 2.39 0.00 76 M 8.19 4.15 0.00 2.09 2.23 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 2.44 0.00 77 L 7.70 4.48 0.00 1.80 1.74 0.96 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 78 L 7.58 4.25 0.00 1.77 1.74 0.97 0.86 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 79 R 7.55 4.57 0.00 1.76 1.74 0.00 3.26 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.17 0.00 80 S 7.99 4.47 0.00 3.99 4.13 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.11 4.87 0.00 1.69 1.47 0.92 0.35 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 82 N 8.76 5.24 0.00 2.47 2.56 0.00 0.00 7.00 7.45 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 83 I 8.21 4.36 1.88 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 1.24 0.56 0.92 0.00 0.00 84 V 8.06 4.63 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 1.10 0.00 0.00 1.09 0.00 0.00 85 C 8.47 4.51 0.00 3.21 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 86 P 0.00 4.23 0.00 2.05 2.17 0.00 3.69 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.16 0.00 87 L 7.82 4.10 0.00 1.76 1.67 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 88 C 8.06 4.14 0.00 3.11 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 89 T 8.13 3.99 4.49 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 1.23 0.00 0.00 90 L 7.43 4.70 0.00 1.84 1.67 0.97 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 91 Q 8.36 3.83 0.00 1.97 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.69 0.00 0.00 0.00 0.00 0.00 2.16 2.23 0.00 92 R 7.92 4.96 0.00 1.80 1.85 0.00 3.31 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.38 0.00 *93 Q 8.27 4.15 0.00 1.87 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.42 0.00 0.00 0.00 0.00 0.00 2.19 2.45 0.00 * Residues marked with a * may have inaccurate shift predictions.