NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 N 4.6478 8.4244 118.1257 53.5953 39.7043 176.6535 18 T 3.9711 7.4508 112.6715 58.3981 66.1631 170.0541 19 P 4.2666 0.0000 0.0000 62.5848 32.7061 176.1734 20 V 4.2836 8.1540 121.5367 59.9221 33.1614 175.5655 21 V 4.0347 8.1810 116.8263 60.3587 32.5413 175.4405 22 I 4.5114 8.1267 124.7439 59.6457 39.6210 174.6364 23 H 4.8913 8.5635 121.0067 53.6441 31.7654 173.2139 24 A 4.2405 8.6638 127.4152 52.2560 18.9084 177.1796 25 T 4.4710 8.3633 110.5796 61.6541 70.0643 173.6238 26 Q 4.5167 7.4958 119.4999 54.8190 33.0625 173.0040 27 L 4.4940 8.0516 120.5559 52.7029 43.3733 174.1535 28 P 4.1077 0.0000 0.0000 63.3336 31.6053 175.2660 29 Q 4.6144 8.3663 123.8996 54.2690 30.9326 174.4820 30 H 4.3777 8.7581 122.5889 55.3555 29.6303 175.0427 31 V 4.3465 7.9740 123.3546 59.6210 33.4903 175.9630 32 S 4.4247 8.8910 117.0433 58.0509 63.3900 175.2236 33 T 4.0625 8.5218 115.4701 64.9545 67.6474 175.3813 34 D 4.5386 7.8773 119.3102 56.1725 41.8534 177.8255 35 E 4.2615 8.1564 119.0467 58.4453 29.3878 179.3350 36 V 3.5920 7.6315 119.2301 64.7512 31.1978 178.0181 37 L 3.8277 7.5593 120.5436 57.5253 41.7753 178.5032 38 Q 4.1149 7.6357 118.2351 58.3287 29.1885 177.4800 39 F 4.2321 8.1138 121.8681 61.0948 39.3799 177.1361 40 L 3.3592 8.1117 118.8021 57.5923 41.3622 178.6902 41 E 3.8904 7.6160 118.2860 59.8241 28.9713 179.0345 42 S 4.1136 8.0531 112.1483 60.4301 62.4322 175.2903 43 F 4.3204 7.7721 123.0098 60.2312 39.2345 177.4813 44 I 3.4390 8.2621 120.1825 64.0396 36.7066 177.3994 45 D 4.1834 7.7658 118.7860 57.7030 40.7438 178.5733 46 E 3.8955 7.4166 117.3564 59.2635 29.7594 178.6288 47 K 3.9393 7.3417 117.1940 58.7405 32.2472 178.2858 48 E 4.0659 8.5480 118.0658 56.3395 30.0482 176.2920 49 N 4.4132 6.9129 115.8775 53.4487 39.6221 174.6900 50 I 3.7413 8.0291 116.7886 61.8409 38.2830 174.8278 51 I 3.0974 7.9952 116.5883 62.6059 33.6320 172.6110 52 D 4.4270 7.3118 120.2068 53.1486 42.9168 174.7660 *78 I 4.2124 8.0865 120.6839 60.5090 37.1105 174.5874 79 D 4.2704 7.7731 126.3914 51.1192 40.3001 177.0976 80 T 3.5090 8.6938 118.2431 64.2120 66.5174 172.6456 81 N 4.1981 7.8783 116.3337 54.0749 37.2744 176.4127 82 L 4.2745 8.4219 122.8964 56.6820 41.9676 178.8878 83 S 4.1453 7.9880 115.3854 61.5787 62.5774 176.3972 84 S 4.2567 7.9164 115.6299 61.4027 62.9628 175.9263 85 S 4.2497 7.8583 118.4425 61.7015 62.5775 176.5439 86 I 3.7614 8.4307 122.2239 64.9133 36.5766 178.2640 87 S 4.0892 7.7987 113.5357 61.4310 62.1257 176.0959 88 Q 3.9966 8.2182 122.2828 59.1669 28.7689 178.1144 89 L 4.0630 7.8622 119.5581 57.8474 41.7430 179.4932 90 K 3.8549 8.5017 118.6846 59.4184 31.9916 179.5806 91 R 4.0602 7.7093 118.1590 58.9056 29.9737 179.0873 92 I 3.8371 7.7498 119.7858 64.4263 37.1097 177.9190 93 Q 4.0486 8.8250 120.9824 59.5487 28.5987 178.6757 94 R 3.9080 7.8894 118.0945 59.3365 30.3468 177.6727 95 D 4.4554 8.0124 117.3786 57.5353 41.2014 178.3118 96 F 4.0235 8.5692 118.2484 60.4573 38.6641 177.7869 97 K 4.2566 8.5648 117.5318 58.5978 31.8642 178.6572 98 G 4.1300 7.7323 104.4783 44.4435 0.0000 172.6618 99 L 3.8944 7.2325 120.6375 53.9723 41.4188 175.2799 100 P 4.3316 0.0000 0.0000 62.2921 31.6990 174.8572 101 P 4.4140 0.0000 0.0000 62.9798 31.2693 176.3188 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 17 N 8.42 4.65 0.00 2.73 2.88 0.00 0.00 6.90 6.65 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 18 T 7.45 3.97 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 19 P 0.00 4.27 0.00 2.21 2.06 0.00 3.72 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 20 V 8.15 4.28 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 0.76 0.00 0.00 0.92 0.00 0.00 21 V 8.18 4.03 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 0.71 0.00 0.00 0.92 0.00 0.00 22 I 8.13 4.51 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.58 0.89 0.00 0.00 23 H 8.56 4.89 0.00 3.09 3.14 0.00 5.72 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 24 A 8.66 4.24 1.27 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 0.00 0.00 25 T 8.36 4.47 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 1.26 0.00 0.00 26 Q 7.50 4.52 0.00 1.99 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.83 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 27 L 8.05 4.49 0.00 1.59 1.54 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 4.11 0.00 2.05 1.97 0.00 3.68 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 29 Q 8.37 4.61 0.00 1.94 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.94 0.00 0.00 0.00 0.00 0.00 2.23 2.40 0.00 30 H 8.76 4.38 0.00 3.18 3.23 0.00 5.73 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 V 7.97 4.35 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 0.66 0.00 0.00 0.88 0.00 0.00 32 S 8.89 4.42 0.00 4.05 4.06 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 33 T 8.52 4.06 4.41 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 1.28 0.00 0.00 34 D 7.88 4.54 0.00 2.80 2.66 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 0.00 0.00 0.00 0.00 35 E 8.16 4.26 0.00 2.07 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 0.00 2.32 2.32 0.00 36 V 7.63 3.59 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 0.56 0.00 0.00 0.42 0.00 0.00 37 L 7.56 3.83 0.00 2.05 1.86 1.06 0.69 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 38 Q 7.64 4.11 0.00 2.28 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 39 F 8.11 4.23 0.00 3.15 3.25 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 0.00 40 L 8.11 3.36 0.00 1.62 1.60 0.80 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.62 3.89 0.00 2.21 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 2.31 2.37 0.00 42 S 8.05 4.11 0.00 3.95 3.93 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 0.00 0.00 0.00 43 F 7.77 4.32 0.00 2.62 2.34 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 44 I 8.26 3.44 1.87 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.81 0.84 0.00 0.00 45 D 7.77 4.18 0.00 2.68 2.78 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 46 E 7.42 3.90 0.00 2.18 1.90 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 2.24 2.28 0.00 47 K 7.34 3.94 0.00 1.30 1.53 0.00 1.60 0.00 0.00 1.42 0.00 0.00 2.85 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.54 0.65 7.81 48 E 8.55 4.07 0.00 1.89 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 2.27 2.25 0.00 49 N 6.91 4.41 0.00 2.95 2.74 0.00 0.00 7.14 7.82 0.00 0.00 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 I 8.03 3.74 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.68 0.89 0.00 0.00 51 I 8.00 3.10 1.85 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 1.28 0.41 0.90 0.00 0.00 52 D 7.31 4.43 0.00 2.84 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.09 4.21 1.86 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 1.09 1.97 0.87 0.00 0.00 79 D 7.77 4.27 0.00 2.85 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 80 T 8.69 3.51 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 81 N 7.88 4.20 0.00 2.92 2.91 0.00 0.00 6.63 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 82 L 8.42 4.27 0.00 1.72 1.88 1.00 0.11 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 83 S 7.99 4.15 0.00 3.90 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 84 S 7.92 4.26 0.00 4.03 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 85 S 7.86 4.25 0.00 4.09 4.04 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 86 I 8.43 3.76 2.04 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.87 0.87 0.00 0.00 87 S 7.80 4.09 0.00 3.95 4.07 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 0.00 0.00 0.00 88 Q 8.22 4.00 0.00 2.30 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.57 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 89 L 7.86 4.06 0.00 1.97 1.76 1.18 1.04 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 90 K 8.50 3.85 0.00 1.94 1.87 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.66 7.81 91 R 7.71 4.06 0.00 2.14 2.01 0.00 3.15 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 92 I 7.75 3.84 2.15 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.91 1.13 0.00 0.00 93 Q 8.83 4.05 0.00 2.15 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 94 R 7.89 3.91 0.00 1.90 2.13 0.00 3.33 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 1.67 1.66 0.00 95 D 8.01 4.46 0.00 2.80 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 96 F 8.57 4.02 0.00 3.33 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 97 K 8.56 4.26 0.00 1.91 1.92 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.78 7.81 98 G 7.73 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 0.00 0.00 0.00 99 L 7.23 3.89 0.00 1.82 1.67 0.29 1.34 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 0.00 100 P 0.00 4.33 0.00 2.16 2.06 0.00 3.72 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 1.97 1.98 0.00 101 P 0.00 4.41 0.00 2.07 2.01 0.00 3.72 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 2.03 2.08 0.00 * Residues marked with a * may have inaccurate shift predictions.