NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 T 4.3118 8.1749 115.2467 61.9222 68.6379 173.2030 22 T 4.1002 8.4156 125.8910 63.1335 69.8599 171.8419 23 N 5.6322 9.6151 123.8053 51.7690 42.6928 172.7578 24 Y 4.9328 8.8715 119.0125 56.3121 42.4268 174.7245 25 V 5.0324 8.9486 121.4566 60.1544 35.8467 173.8886 *27 T 4.6195 8.1957 110.6378 61.7365 70.0079 173.9746 28 T 4.6774 8.7138 117.0566 60.4543 70.2849 175.8431 29 K 3.8785 9.2497 124.6680 59.1952 32.2495 177.2164 30 N 4.6259 8.1412 113.9046 52.6544 37.4525 175.5106 31 G 3.9306 8.3113 106.7815 45.5624 0.0000 173.7313 32 Q 4.4550 8.3025 119.0198 55.2394 30.7252 174.9501 33 T 4.7917 8.3769 118.0395 61.9234 70.5908 173.6038 34 I 4.5204 8.1185 126.7166 59.2910 40.7443 174.7460 35 V 4.4346 8.5355 127.7506 62.5898 32.3470 175.1096 36 T 4.9381 9.1789 117.8170 60.0481 72.3314 173.2730 37 Q 4.3359 9.1582 123.4176 57.0644 29.1606 176.6317 38 G 3.9518 9.1446 110.2222 44.6950 0.0000 171.3784 39 K 3.2278 7.8170 119.6877 54.0893 32.6357 174.4847 40 P 4.5232 0.0000 0.0000 63.4951 32.2795 175.4024 41 Q 4.5632 8.9180 122.3987 54.2045 30.7595 174.6945 42 L 4.5593 8.4782 126.3158 54.5620 43.6507 175.5797 43 D 4.6750 8.4997 124.4777 52.3894 43.0454 175.9550 44 K 3.8613 8.9450 126.4723 59.6027 32.1939 178.9706 45 E 4.4546 7.6911 113.0687 56.4554 29.4883 177.2398 46 T 4.4843 7.5488 107.2655 61.0259 72.5404 173.1756 47 G 3.6279 7.9333 111.6209 46.4761 0.0000 172.7317 *49 T 4.7016 7.3121 114.7194 63.7158 70.7041 174.6220 50 S 5.3335 8.7478 121.6656 57.3615 65.7833 172.6988 51 Y 5.1382 8.8108 118.9402 56.6532 42.0044 173.0624 52 T 5.0523 8.5281 116.3562 61.8854 71.3405 175.0335 53 D 4.9286 8.8092 126.7372 52.6815 41.3786 176.6302 54 Q 4.2188 8.6309 116.5973 58.2061 28.8183 176.8659 55 E 4.2392 8.9475 116.9327 56.4907 30.1034 177.1474 56 G 4.0499 7.9516 106.3119 44.7677 0.0000 173.4971 57 N 4.6176 8.0996 117.1388 53.0899 40.0641 173.9839 58 Q 4.6782 8.4100 120.8261 55.2547 30.1681 175.3402 59 R 4.5617 8.9984 122.2605 54.3502 35.0867 173.5970 60 E 5.1001 8.4272 120.3046 54.6719 32.6784 174.4478 61 I 4.8056 9.0065 125.5876 58.9871 41.9141 174.5048 62 N 4.5239 8.8711 124.9302 53.7565 38.9221 176.5541 63 S 4.2848 9.2288 119.7346 61.2344 63.2157 176.5022 64 N 4.3636 8.1007 117.0304 56.0335 38.5413 175.4463 65 D 4.5184 8.0781 116.3844 54.4484 41.1711 175.8257 66 V 4.1132 7.3356 120.6152 61.5620 31.5510 175.3958 67 A 4.2676 8.8394 131.7728 54.7254 18.8650 177.3332 68 Q 4.6666 7.4867 110.5308 54.5561 33.3843 175.0856 69 L 4.8528 8.5925 121.5842 53.3114 44.5122 175.6573 70 I 4.5681 8.6504 125.3727 58.8802 40.3003 175.3100 71 K 3.3164 8.4606 127.9632 55.8899 32.6335 175.9985 72 A 4.3764 8.2204 129.6895 51.3464 19.6163 176.7412 73 D 4.6991 8.3874 120.6082 52.8974 42.5263 176.8888 74 L 4.0993 8.3829 123.5499 57.8291 42.3766 176.2775 75 E 4.7153 7.5150 113.8526 55.1243 32.1355 173.8100 76 H 4.3943 8.7184 115.4399 55.2111 29.3932 174.4893 77 H 4.7877 9.1879 117.4374 53.7543 30.4377 173.0523 78 H 4.3101 8.9423 120.5636 56.4001 29.3270 174.7146 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 21 T 8.17 4.31 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 22 T 8.42 4.10 4.40 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 1.31 0.00 0.00 23 N 9.62 5.63 0.00 2.60 2.69 0.00 0.00 6.91 7.48 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 24 Y 8.87 4.93 0.00 2.90 2.82 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 0.00 0.00 0.00 0.00 25 V 8.95 5.03 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 1.13 0.00 0.00 0.91 0.00 0.00 *27 T 8.20 4.62 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 1.19 0.00 0.00 28 T 8.71 4.68 4.30 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 1.17 0.00 0.00 29 K 9.25 3.88 0.00 1.81 1.89 0.00 1.79 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.45 1.38 7.81 30 N 8.14 4.63 0.00 2.87 2.89 0.00 0.00 6.26 7.00 0.00 0.00 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 G 8.31 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 0.00 0.00 0.00 32 Q 8.30 4.45 0.00 1.99 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.54 6.69 0.00 0.00 0.00 0.00 0.00 2.34 2.48 0.00 33 T 8.38 4.79 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 1.19 0.00 0.00 34 I 8.12 4.52 1.69 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.18 0.78 0.00 0.00 35 V 8.54 4.43 2.10 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 0.82 0.00 0.00 0.93 0.00 0.00 36 T 9.18 4.94 4.47 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 1.07 0.00 0.00 37 Q 9.16 4.34 0.00 1.99 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 5.49 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 38 G 9.14 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 39 K 7.82 3.23 0.00 0.79 1.35 0.00 1.67 0.00 0.00 1.55 0.00 0.00 2.77 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.03 0.62 7.81 40 P 0.00 4.52 0.00 1.91 2.03 0.00 3.38 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 1.94 2.12 0.00 41 Q 8.92 4.56 0.00 1.97 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.96 0.00 0.00 0.00 0.00 0.00 2.26 2.38 0.00 42 L 8.48 4.56 0.00 1.65 1.54 0.92 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 43 D 8.50 4.68 0.00 2.71 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.95 3.86 0.00 1.82 1.86 0.00 1.73 0.00 0.00 1.87 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.39 7.81 45 E 7.69 4.45 0.00 2.12 2.03 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 2.29 2.24 0.00 46 T 7.55 4.48 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 1.27 0.00 0.00 47 G 7.93 3.63 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 0.00 0.00 0.00 *49 T 7.31 4.70 4.39 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 1.26 0.00 0.00 50 S 8.75 5.33 0.00 3.85 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 51 Y 8.81 5.14 0.00 3.03 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 52 T 8.53 5.05 4.44 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 0.00 0.00 0.00 1.29 0.00 0.00 53 D 8.81 4.93 0.00 3.01 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 54 Q 8.63 4.22 0.00 2.10 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.94 6.97 0.00 0.00 0.00 0.00 0.00 2.58 2.35 0.00 55 E 8.95 4.24 0.00 2.00 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 2.31 2.40 0.00 56 G 7.95 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 N 8.10 4.62 0.00 3.03 2.70 0.00 0.00 7.05 8.22 0.00 0.00 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 Q 8.41 4.68 0.00 1.85 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.82 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 59 R 9.00 4.56 0.00 0.67 1.31 0.00 3.03 0.00 0.00 3.10 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.30 0.00 60 E 8.43 5.10 0.00 1.85 1.70 0.00 0.00 0.00 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 2.27 0.00 61 I 9.01 4.81 2.08 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 1.27 1.07 1.11 0.00 0.00 62 N 8.87 4.52 0.00 2.98 2.75 0.00 0.00 7.02 7.67 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 63 S 9.23 4.28 0.00 3.84 3.92 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 64 N 8.10 4.36 0.00 2.70 2.88 0.00 0.00 6.94 8.06 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 65 D 8.08 4.52 0.00 2.86 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 V 7.34 4.11 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 0.73 0.00 0.00 0.98 0.00 0.00 67 A 8.84 4.27 1.29 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 0.00 0.00 68 Q 7.49 4.67 0.00 1.95 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.73 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 69 L 8.59 4.85 0.00 1.51 1.68 0.88 0.77 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 70 I 8.65 4.57 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 1.12 0.68 0.86 0.00 0.00 71 K 8.46 3.32 0.00 1.20 1.44 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.83 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.10 0.71 7.81 72 A 8.22 4.38 1.17 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 0.00 0.00 0.00 0.00 0.00 0.00 73 D 8.39 4.70 0.00 2.64 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 L 8.38 4.10 0.00 1.58 1.69 0.92 0.86 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 75 E 7.51 4.72 0.00 2.09 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 2.19 2.27 0.00 76 H 8.72 4.39 0.00 3.25 3.28 0.00 5.47 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 H 9.19 4.79 0.00 3.16 3.28 0.00 5.88 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 H 8.94 4.31 0.00 3.26 3.32 0.00 5.75 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 * Residues marked with a * may have inaccurate shift predictions.