NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 A 4.3428 8.2644 123.5828 51.8316 20.6232 177.0122 17 T 4.3334 7.4865 107.9648 59.8727 70.4485 171.1324 18 D 4.6644 9.5068 129.9287 54.0736 42.5177 175.4415 19 R 5.0303 8.4793 122.4355 54.6086 32.8738 175.5512 20 L 4.8784 9.0390 121.6514 53.4762 45.8999 174.9603 21 K 5.1178 8.5764 124.7502 54.7038 35.6763 174.8381 22 L 4.8746 8.9876 127.9861 53.2812 45.4777 174.8999 23 I 4.9859 8.4640 125.7443 59.3622 40.3054 174.4945 24 L 4.6776 8.8757 128.6775 53.3977 44.1526 174.6810 25 A 5.4233 8.5646 128.1449 50.2934 21.6991 175.0910 26 K 4.5883 8.6568 118.6815 55.6359 37.0889 174.6417 27 E 4.6295 8.6448 120.4153 55.8698 29.9004 177.9963 28 R 3.7844 8.3106 125.0140 60.0116 30.2674 178.1114 29 T 3.8944 8.2550 114.8100 66.2233 68.7204 173.9883 30 L 3.5830 7.0585 120.2610 55.5327 42.2541 176.1696 31 N 4.5195 8.6368 124.7804 52.5312 38.7232 174.3434 32 L 4.1043 7.8467 127.3098 51.2883 42.0932 175.1177 33 P 4.1220 0.0000 0.0000 65.5692 31.0717 177.5070 34 Y 4.5811 6.6931 114.6117 57.5301 38.7650 175.2632 35 M 4.0642 7.2873 120.8413 56.8508 32.5670 173.9390 36 E 3.5210 8.4409 123.8037 54.3962 27.2632 173.2957 37 E 5.9137 8.1163 132.5688 57.0536 28.3635 179.0792 38 M 4.0430 7.4745 119.2800 58.2965 32.0070 178.5058 39 R 3.8315 7.9997 118.2906 59.5489 30.1574 178.1114 40 K 3.7754 7.9573 117.3608 59.7580 32.0802 178.4730 41 E 3.9137 8.7859 118.8343 59.8788 29.4886 179.3842 42 I 3.6832 8.5350 119.6664 64.8130 37.2167 178.5267 43 I 3.6414 7.8985 119.8902 64.2626 36.9697 177.9217 44 A 3.9882 8.0236 121.7815 55.5337 18.1332 179.7048 45 V 3.6380 7.9457 116.2603 66.3806 31.4790 178.2033 46 I 3.7962 7.7275 119.3463 64.6227 36.9364 178.4727 47 Q 3.9474 8.4822 119.2548 58.8450 28.3224 178.5639 48 K 3.8606 8.5421 119.9507 59.4556 32.1853 177.5610 49 Y 4.3805 7.9559 115.5165 59.3160 38.6272 177.1738 50 T 4.3273 8.6615 109.7173 60.9837 69.7295 175.7527 51 K 3.9429 8.2670 118.9537 56.6923 30.4549 175.5402 52 S 4.1959 7.9754 114.5549 58.6751 62.5274 174.1976 53 S 4.5101 8.6328 120.6570 58.2765 63.9707 172.9481 54 D 4.9337 7.8825 122.1885 52.7475 42.6983 175.0289 55 I 4.9522 8.2882 125.9511 60.0025 41.4860 174.0260 56 H 5.0262 9.3454 126.3389 54.2106 32.6776 172.0885 57 F 6.2436 8.6602 119.9080 53.9920 40.7226 174.0817 58 K 4.8246 8.6962 119.5703 55.8218 36.3505 174.5922 59 T 4.8886 8.5741 117.6137 63.3878 70.3774 171.3671 60 L 4.1421 8.9832 123.4632 55.3646 43.2672 178.2352 *65 S 4.3878 9.3771 121.9450 58.4959 65.6315 173.0220 66 V 4.6458 7.5300 118.8946 61.3488 34.0115 173.8505 67 E 4.6118 9.0216 130.4373 55.5289 31.1929 174.7291 68 T 5.1202 8.3693 120.4755 60.3433 70.8809 172.2591 69 I 4.8980 8.9050 129.7912 59.8502 39.3426 174.2817 70 E 5.2209 9.1384 126.9945 54.4503 32.5757 175.2753 71 V 4.9206 8.7893 124.3303 61.1146 34.4425 173.7871 72 E 4.9367 9.3347 127.9981 55.2272 31.5735 175.1611 73 I 5.0159 9.1985 125.5431 59.4273 40.5647 174.4283 74 I 4.6577 7.9697 128.2493 59.5019 38.0615 175.8628 75 L 4.2356 8.5329 128.4736 54.4886 41.7086 175.5843 76 P 4.4309 0.0000 0.0000 65.6551 32.5513 175.8346 77 R 3.9807 6.9851 118.7321 54.7281 30.2800 175.4119 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 16 A 8.26 4.34 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 17 T 7.49 4.33 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 1.22 0.00 0.00 18 D 9.51 4.66 0.00 2.65 2.62 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 0.00 0.00 0.00 0.00 19 R 8.48 5.03 0.00 1.69 1.86 0.00 3.16 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 20 L 9.04 4.88 0.00 1.80 1.45 0.93 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 21 K 8.58 5.12 0.00 1.74 1.59 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.72 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.32 1.43 7.81 22 L 8.99 4.87 0.00 1.73 1.45 0.92 0.79 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 I 8.46 4.99 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 1.24 1.07 0.92 0.00 0.00 24 L 8.88 4.68 0.00 1.71 1.52 0.94 0.92 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 25 A 8.56 5.42 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 26 K 8.66 4.59 0.00 1.82 1.89 0.00 1.29 0.00 0.00 1.62 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.41 7.81 27 E 8.64 4.63 0.00 1.95 1.91 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 2.39 2.30 0.00 28 R 8.31 3.78 0.00 1.85 1.97 0.00 3.26 0.00 0.00 3.22 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 29 T 8.26 3.89 4.23 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 1.20 0.00 0.00 30 L 7.06 3.58 0.00 1.72 1.81 0.90 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 31 N 8.64 4.52 0.00 2.68 2.69 0.00 0.00 6.99 7.78 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 32 L 7.85 4.10 0.00 1.43 0.74 0.95 0.82 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 33 P 0.00 4.12 0.00 2.15 2.14 0.00 3.26 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.94 0.00 34 Y 6.69 4.58 0.00 3.19 3.29 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.29 4.06 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.49 0.00 36 E 8.44 3.52 0.00 2.06 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 2.16 2.31 0.00 37 E 8.12 5.91 0.00 2.39 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 0.00 2.18 2.12 0.00 38 M 7.47 4.04 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.93 2.55 0.00 39 R 8.00 3.83 0.00 1.75 1.78 0.00 2.83 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.48 0.00 40 K 7.96 3.78 0.00 1.94 1.81 0.00 1.71 0.00 0.00 1.79 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.43 7.81 41 E 8.79 3.91 0.00 2.21 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 2.51 0.00 42 I 8.53 3.68 1.94 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 1.51 0.69 0.90 0.00 0.00 43 I 7.90 3.64 1.99 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.84 0.95 0.00 0.00 44 A 8.02 3.99 1.40 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 45 V 7.95 3.64 2.30 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 1.18 0.00 0.00 0.99 0.00 0.00 46 I 7.73 3.80 2.10 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.90 0.95 0.00 0.00 47 Q 8.48 3.95 0.00 2.24 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.76 0.00 0.00 0.00 0.00 0.00 2.42 2.56 0.00 48 K 8.54 3.86 0.00 1.65 2.04 0.00 1.63 0.00 0.00 1.62 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.81 1.19 7.81 49 Y 7.96 4.38 0.00 3.00 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 50 T 8.66 4.33 4.28 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 1.35 0.00 0.00 51 K 8.27 3.94 0.00 1.89 1.97 0.00 1.74 0.00 0.00 1.63 0.00 0.00 3.08 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.39 7.81 52 S 7.98 4.20 0.00 3.94 3.81 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 53 S 8.63 4.51 0.00 4.02 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 54 D 7.88 4.93 0.00 2.78 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.29 4.95 1.96 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.79 1.11 0.00 0.00 56 H 9.35 5.03 0.00 3.14 3.08 0.00 5.54 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 F 8.66 6.24 0.00 2.99 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 58 K 8.70 4.82 0.00 1.80 1.85 0.00 1.32 0.00 0.00 1.77 0.00 0.00 2.84 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.46 7.81 59 T 8.57 4.89 4.29 0.00 0.00 0.00 0.00 0.00 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 60 L 8.98 4.14 0.00 1.59 1.24 1.03 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 *65 S 9.38 4.39 0.00 3.93 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 66 V 7.53 4.65 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 67 E 9.02 4.61 0.00 2.10 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 2.27 2.25 0.00 68 T 8.37 5.12 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 69 I 8.90 4.90 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.96 0.94 0.00 0.00 70 E 9.14 5.22 0.00 1.90 1.83 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 2.23 2.23 0.00 71 V 8.79 4.92 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 1.09 0.00 0.00 1.00 0.00 0.00 72 E 9.33 4.94 0.00 2.06 2.07 0.00 0.00 0.00 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 2.30 0.00 73 I 9.20 5.02 1.90 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 1.27 0.58 0.95 0.00 0.00 74 I 7.97 4.66 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 1.24 0.56 0.92 0.00 0.00 75 L 8.53 4.24 0.00 1.68 1.62 0.94 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 76 P 0.00 4.43 0.00 2.18 2.17 0.00 3.83 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 1.94 2.12 0.00 77 R 6.99 3.98 0.00 1.99 2.06 0.00 3.08 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.