NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.3102 8.1631 117.3742 63.1076 69.8175 173.3108 2 G 3.5058 8.3117 114.4736 44.9580 0.0000 172.7329 3 A 4.2815 8.1821 125.1689 52.5326 20.9866 176.5031 4 G 4.2975 7.1237 109.9073 44.7337 0.0000 176.2660 5 T 3.8354 8.7407 120.6857 66.1719 68.3350 173.7370 6 P 4.4297 0.0000 0.0000 65.7874 31.1509 177.0570 7 S 4.5062 8.3265 113.6244 58.9545 63.4221 175.6590 8 Q 4.1191 8.6348 120.9873 57.7822 28.9059 178.4825 9 G 3.6586 8.0410 106.1529 48.2688 0.0000 174.3669 10 K 4.2740 7.9248 116.5415 57.0084 32.3942 178.1356 11 K 4.4043 7.5512 120.8446 55.0646 30.2199 176.3282 12 N 5.0716 7.8729 119.4906 52.6124 38.3243 175.1349 13 T 4.5160 7.9250 114.8346 63.1223 70.5074 174.2573 14 T 4.3617 8.3842 123.1588 62.7431 69.1771 172.6383 15 T 4.2838 7.6042 114.9343 62.9420 71.3594 172.8886 16 H 4.8534 8.1285 120.7873 55.0041 29.9861 174.7405 17 T 4.7886 10.5648 112.9713 58.8541 72.7645 173.0445 18 K 4.2501 8.8439 122.8446 57.5554 32.7075 175.3469 19 C 4.2137 9.5703 129.4440 58.8302 32.1325 174.0097 20 R 3.6892 8.5383 126.9655 59.5482 29.8894 177.5376 21 R 3.6474 7.1739 116.2244 58.6567 29.9509 176.5158 22 C 4.4260 7.8626 109.9937 57.2226 30.7291 175.1466 23 G 3.8083 8.0751 108.6246 45.5812 0.0000 173.5585 24 E 4.2727 7.4186 119.2717 55.2706 31.1761 176.3634 25 K 4.7074 8.2476 124.7370 55.4896 30.0098 176.4303 26 S 4.7494 7.8606 113.3876 57.8343 67.1182 173.4135 27 Y 4.4804 8.9366 124.0517 57.5581 39.5295 174.3548 28 H 4.5603 8.9555 128.8011 55.4560 29.2636 175.2968 29 T 3.0153 8.8440 121.7568 64.4021 67.0924 175.0303 30 K 4.1874 8.1685 119.4529 58.4676 32.6681 177.8531 31 K 4.0742 7.8983 115.9666 55.9669 32.7980 176.4364 32 K 3.2294 8.4391 118.2864 56.7572 30.1396 175.5540 33 V 4.6841 6.8843 115.8176 61.3531 35.2409 172.7289 34 C 5.2039 9.1281 127.3382 58.3904 32.2689 174.4312 35 S 4.4806 8.7296 121.4990 59.8972 63.4160 174.9091 36 S 4.5458 8.2934 115.0623 59.9379 63.1728 174.2242 37 C 4.5091 8.1042 112.3520 57.3004 30.6343 175.0097 38 G 3.9463 8.3644 108.9634 45.4441 0.0000 173.1456 39 F 4.4500 8.0796 122.7401 59.9210 39.5212 175.7733 40 G 3.7742 8.9383 116.2541 44.9426 0.0000 173.4717 41 K 4.3549 7.8302 117.5675 57.0156 34.4563 175.9479 42 S 4.6847 8.4208 111.0713 56.0844 65.3031 173.6081 43 A 4.1974 8.6628 129.4165 54.8504 18.5751 178.5538 44 K 4.2592 7.6547 114.3335 55.8796 32.8456 177.1200 45 R 4.2575 8.2956 121.8647 55.8736 30.6883 176.5900 46 R 3.8358 8.3725 124.7053 57.0651 30.6144 175.2865 47 D 4.4063 7.3458 121.2631 53.9923 44.2246 174.4667 48 Y 4.4507 8.7825 122.2654 55.8224 41.3831 176.5983 49 E 4.0164 8.5685 122.0141 58.7635 29.8193 178.4850 50 W 4.7332 7.7054 113.6788 57.0764 28.4132 176.6933 51 Q 4.5096 7.7038 117.3971 57.0428 28.4370 175.5147 52 S 4.7480 7.5714 110.5627 56.0759 66.4903 174.0332 53 K 4.0250 8.6015 120.1479 56.4481 32.5109 177.7796 54 A 4.0315 8.9773 126.3474 55.5028 18.1655 179.3671 55 G 4.1085 7.8253 102.1266 45.1879 0.0000 173.2689 56 E 4.1952 8.1803 126.4037 56.2727 29.8783 174.2585 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 T 8.16 4.31 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 2 G 8.31 3.51 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 0.00 0.00 0.00 3 A 8.18 4.28 1.28 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 0.00 0.00 0.00 4 G 7.12 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 0.00 0.00 0.00 0.00 5 T 8.74 3.84 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 6 P 0.00 4.43 0.00 2.17 2.21 0.00 3.66 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.01 0.00 7 S 8.33 4.51 0.00 4.14 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 8 Q 8.63 4.12 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.79 0.00 0.00 0.00 0.00 0.00 2.61 2.45 0.00 9 G 8.04 3.66 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 0.00 0.00 0.00 10 K 7.92 4.27 0.00 1.76 1.85 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.46 7.81 11 K 7.55 4.40 0.00 1.87 1.77 0.00 1.64 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.45 7.81 12 N 7.87 5.07 0.00 2.77 2.83 0.00 0.00 6.25 7.71 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 13 T 7.92 4.52 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 14 T 8.38 4.36 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 15 T 7.60 4.28 3.67 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 0.00 0.00 0.00 1.10 0.00 0.00 16 H 8.13 4.85 0.00 3.07 3.47 0.00 5.64 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 T 10.56 4.79 4.34 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 1.30 0.00 0.00 18 K 8.84 4.25 0.00 1.80 1.84 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.53 7.81 19 C 9.57 4.21 0.00 3.15 2.92 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 20 R 8.54 3.69 0.00 1.55 1.44 0.00 3.09 0.00 0.00 3.09 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.53 0.00 21 R 7.17 3.65 0.00 0.67 1.29 0.00 3.24 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.36 0.00 22 C 7.86 4.43 0.00 3.10 3.09 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 0.00 0.00 0.00 23 G 8.08 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 0.00 0.00 0.00 24 E 7.42 4.27 0.00 1.97 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 2.32 2.42 0.00 25 K 8.25 4.71 0.00 1.80 1.77 0.00 1.75 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.52 7.81 26 S 7.86 4.75 0.00 3.86 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 8.94 4.48 0.00 3.08 3.13 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 28 H 8.96 4.56 0.00 3.19 3.09 0.00 5.68 0.00 0.00 0.00 0.00 6.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 T 8.84 3.02 4.20 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 1.18 0.00 0.00 30 K 8.17 4.19 0.00 1.84 1.83 0.00 1.80 0.00 0.00 1.69 0.00 0.00 3.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.41 7.81 31 K 7.90 4.07 0.00 1.53 1.72 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.53 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.20 0.89 7.81 32 K 8.44 3.23 0.00 1.73 1.90 0.00 1.75 0.00 0.00 1.45 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.29 1.48 7.81 33 V 6.88 4.68 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 1.03 0.00 0.00 0.97 0.00 0.00 34 C 9.13 5.20 0.00 3.38 3.17 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 35 S 8.73 4.48 0.00 4.13 4.09 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 0.00 0.00 0.00 36 S 8.29 4.55 0.00 3.91 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 37 C 8.10 4.51 0.00 3.15 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 38 G 8.36 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 F 8.08 4.45 0.00 3.05 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 40 G 8.94 3.77 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 0.00 0.00 0.00 41 K 7.83 4.35 0.00 1.69 1.99 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.40 7.81 42 S 8.42 4.68 0.00 3.78 3.71 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 43 A 8.66 4.20 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 44 K 7.65 4.26 0.00 1.77 1.71 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.40 7.81 45 R 8.30 4.26 0.00 1.65 1.83 0.00 3.37 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.55 0.00 46 R 8.37 3.84 0.00 1.95 1.98 0.00 3.45 0.00 0.00 3.33 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.69 0.00 47 D 7.35 4.41 0.00 2.50 2.22 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 0.00 0.00 0.00 0.00 48 Y 8.78 4.45 0.00 1.43 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 49 E 8.57 4.02 0.00 2.05 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 2.36 2.25 0.00 50 W 7.71 4.73 0.00 3.39 3.17 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 51 Q 7.70 4.51 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.72 0.00 0.00 0.00 0.00 0.00 1.96 1.75 0.00 52 S 7.57 4.75 0.00 3.98 3.79 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 53 K 8.60 4.02 0.00 1.83 1.81 0.00 1.75 0.00 0.00 1.86 0.00 0.00 2.94 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.56 1.42 7.81 54 A 8.98 4.03 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.83 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.18 4.20 0.00 1.92 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 2.26 0.00