NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3217 8.2649 123.5820 52.1825 19.8822 174.8094 2 V 4.3673 7.7425 110.8716 57.4908 35.6449 173.8223 3 Q 4.0403 9.4328 120.8012 57.0429 29.3395 175.8475 4 Q 4.5197 8.6749 120.7764 55.2821 29.1953 174.0249 5 N 5.0363 7.6891 115.9664 51.9254 42.4199 172.7571 6 K 4.6369 8.3576 119.1960 53.7883 35.1322 173.2215 7 P 4.9188 0.0000 0.0000 60.7430 33.8230 174.9318 8 T 4.0291 8.0873 114.3178 62.2060 68.1636 175.5996 9 R 4.1312 8.4993 126.3252 58.9701 30.2277 179.2102 10 S 4.1054 7.8189 113.6127 61.1169 62.2082 176.0897 11 K 3.9894 7.7363 121.1187 59.4339 31.6993 179.1647 12 R 4.0476 7.7770 117.3508 59.1254 30.5510 178.7145 13 G 3.7502 8.2596 105.5449 48.0227 0.0000 175.5984 14 M 4.1126 7.6067 119.6180 58.2407 31.9765 178.5623 15 R 4.1892 7.7198 117.0520 57.7333 30.3499 177.4922 16 R 5.2813 7.4556 115.2888 55.1281 30.4954 177.3176 17 S 4.2382 7.9942 115.3419 61.5466 63.1392 174.6325 18 H 4.8435 8.1363 115.3217 55.3854 28.9106 174.0154 19 D 4.7575 7.6725 120.2769 52.9910 42.0479 175.5311 20 A 4.7609 8.1337 124.7921 52.2268 21.7991 174.2207 21 L 4.4660 7.9618 118.4211 55.8494 42.8070 173.6736 22 T 4.6412 7.9703 114.4754 63.1056 72.4348 174.5253 23 A 4.6196 8.2346 119.6609 53.6366 21.1078 177.3511 24 V 4.6559 7.7322 105.9049 60.6233 35.2898 174.8355 25 T 3.3433 8.5688 109.7432 63.1602 67.4392 171.4862 26 S 3.8489 7.5917 117.6192 60.0405 61.9385 172.5321 27 L 4.4081 8.2829 123.6408 55.3734 42.8957 175.7750 28 S 4.7825 8.2671 114.5147 56.6449 66.1142 172.6228 29 V 5.2395 8.2625 123.2552 60.1721 35.0321 173.8443 30 D 5.2199 8.5623 122.0993 52.4737 44.5348 176.8069 31 K 4.3555 8.8572 118.8751 57.2963 33.6142 177.0126 32 T 4.6208 7.8052 107.8929 61.6200 70.7940 173.2179 33 S 4.8418 7.3303 119.3839 58.2339 63.9645 175.0990 34 G 4.2937 8.7999 123.0087 46.0440 0.0000 171.7431 35 E 4.2298 7.9653 123.3754 56.4856 30.7811 175.1907 36 K 5.3344 8.7325 128.3013 55.3114 32.9597 174.0144 37 H 4.4639 8.2860 129.8528 54.3863 31.1212 173.8929 38 L 5.0952 7.1265 124.6975 53.5923 44.3682 173.5004 39 R 3.8674 8.5826 125.3443 57.4491 31.1434 176.3562 40 H 4.0514 8.4383 114.6188 56.8607 25.9195 173.8378 41 H 5.1093 7.5542 118.0181 54.4535 33.4521 172.5057 42 I 4.1549 7.8063 126.7577 60.8892 37.3694 176.3183 43 T 4.5613 8.4620 115.6812 61.0436 69.3583 174.5280 44 A 4.3288 8.4179 122.8027 52.7310 18.9356 177.5725 45 D 4.3551 7.8878 114.9755 53.5188 41.0385 176.6255 46 G 4.0840 7.6123 106.3429 46.6366 0.0000 173.8778 47 Y 5.5057 7.6997 117.5113 54.8795 39.8634 175.3570 48 Y 4.4499 8.8824 129.0183 58.9618 38.0362 175.4320 49 R 4.4936 9.0158 112.1676 56.2473 32.0674 177.3775 50 G 3.9006 8.0162 105.6265 45.1083 0.0000 176.3075 51 R 4.3269 8.5320 125.9476 55.4740 28.5565 175.5705 52 K 4.6218 8.2912 114.2394 56.1009 33.0512 177.3018 53 V 3.5803 7.4536 113.3772 63.1958 31.3396 173.9393 54 I 3.3229 8.6494 123.1606 60.7666 35.4821 173.8510 55 A 4.4083 7.2402 123.2714 52.6294 23.3623 176.5046 56 K 4.1453 7.6362 121.4157 56.2671 32.5473 176.0250 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 A 8.26 4.32 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 2 V 7.74 4.37 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 0.77 0.00 0.00 0.93 0.00 0.00 3 Q 9.43 4.04 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.29 0.00 0.00 0.00 0.00 0.00 2.32 2.49 0.00 4 Q 8.67 4.52 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.80 0.00 0.00 0.00 0.00 0.00 2.27 2.50 0.00 5 N 7.69 5.04 0.00 2.61 2.65 0.00 0.00 6.82 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 K 8.36 4.64 0.00 1.69 1.60 0.00 1.80 0.00 0.00 1.75 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.30 1.38 7.81 7 P 0.00 4.92 0.00 2.19 2.00 0.00 3.82 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 1.89 1.91 0.00 8 T 8.09 4.03 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 1.23 0.00 0.00 9 R 8.50 4.13 0.00 1.94 1.95 0.00 3.23 0.00 0.00 3.26 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.74 0.00 10 S 7.82 4.11 0.00 3.84 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 11 K 7.74 3.99 0.00 1.91 1.96 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.47 7.81 12 R 7.78 4.05 0.00 1.97 1.97 0.00 3.27 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.93 0.00 13 G 8.26 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 M 7.61 4.11 0.00 1.99 2.34 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.72 0.00 15 R 7.72 4.19 0.00 1.85 1.98 0.00 3.13 0.00 0.00 3.22 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 16 R 7.46 5.28 0.00 1.94 1.96 0.00 3.13 0.00 0.00 3.13 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.63 0.00 17 S 7.99 4.24 0.00 3.96 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.14 4.84 0.00 3.17 3.27 0.00 5.70 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 D 7.67 4.76 0.00 2.86 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 20 A 8.13 4.76 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 21 L 7.96 4.47 0.00 1.72 1.63 0.92 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 22 T 7.97 4.64 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 23 A 8.23 4.62 1.22 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 0.00 0.00 24 V 7.73 4.66 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 0.97 0.00 0.00 0.99 0.00 0.00 25 T 8.57 3.34 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 26 S 7.59 3.85 0.00 4.02 3.83 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 0.00 0.00 0.00 27 L 8.28 4.41 0.00 1.62 1.58 0.92 0.70 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 28 S 8.27 4.78 0.00 3.80 3.80 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 29 V 8.26 5.24 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 1.14 0.00 0.00 0.93 0.00 0.00 30 D 8.56 5.22 0.00 2.70 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.86 4.36 0.00 1.83 1.89 0.00 1.49 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.29 1.38 7.81 32 T 7.81 4.62 4.08 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 1.19 0.00 0.00 33 S 7.33 4.84 0.00 3.91 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 34 G 8.80 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 0.00 0.00 0.00 0.00 35 E 7.97 4.23 0.00 2.04 1.76 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 2.30 2.28 0.00 36 K 8.73 5.33 0.00 1.83 1.72 0.00 1.72 0.00 0.00 2.43 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.28 7.81 37 H 8.29 4.46 0.00 3.29 3.42 0.00 5.62 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 38 L 7.13 5.10 0.00 1.57 1.51 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.58 3.87 0.00 1.81 1.73 0.00 3.35 0.00 0.00 3.18 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.74 0.00 40 H 8.44 4.05 0.00 3.27 3.46 0.00 5.87 0.00 0.00 0.00 0.00 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 H 7.55 5.11 0.00 3.13 3.41 0.00 5.92 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.81 4.15 1.65 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.18 0.86 0.00 0.00 43 T 8.46 4.56 4.33 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 1.39 0.00 0.00 44 A 8.42 4.33 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 45 D 7.89 4.36 0.00 2.58 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.61 4.08 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 0.00 0.00 0.00 47 Y 7.70 5.51 0.00 3.08 2.85 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 48 Y 8.88 4.45 0.00 2.72 2.79 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 49 R 9.02 4.49 0.00 1.97 1.94 0.00 3.17 0.00 0.00 3.30 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.74 0.00 50 G 8.02 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 51 R 8.53 4.33 0.00 2.10 2.11 0.00 3.26 0.00 0.00 3.38 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.72 0.00 52 K 8.29 4.62 0.00 1.89 1.95 0.00 1.21 0.00 0.00 2.38 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.42 7.81 53 V 7.45 3.58 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 1.07 0.00 0.00 54 I 8.65 3.32 1.77 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.66 0.86 0.00 0.00 55 A 7.24 4.41 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.64 4.15 0.00 1.40 1.31 0.00 1.63 0.00 0.00 1.86 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.28 7.81