NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Y 4.8543 8.1293 121.6800 57.8969 39.1536 174.1739 2 D 4.2583 8.2345 124.7444 51.6825 40.3922 175.0680 3 G 3.9701 7.8857 107.1810 46.3560 0.0000 176.0807 4 T 4.1164 7.9474 109.7903 62.5604 69.3717 174.9654 5 K 4.5305 8.0034 121.1479 54.9053 34.3646 175.7459 6 C 5.0685 8.6077 120.8936 54.7238 41.9217 173.7595 7 K 3.7855 8.8537 124.6553 59.6438 31.9612 176.3205 8 A 4.3478 7.7817 118.8111 50.7479 22.4124 175.0553 9 A 4.0729 8.6006 122.6340 54.1892 18.4146 178.3751 10 G 3.8695 9.1520 110.5616 45.6224 0.0000 173.0122 11 N 4.8548 8.6119 118.4248 52.0733 39.8026 173.1286 12 C 5.1699 8.6732 119.9994 55.8917 41.8291 174.2772 13 W 4.1047 7.7946 131.1977 57.1445 30.7721 175.3553 14 E 3.8657 5.9000 123.6501 53.0905 32.6875 173.7769 15 P 3.7500 0.0000 0.0000 61.9592 32.4762 176.4636 16 K 4.1350 8.1620 119.4373 55.1508 32.8042 174.4889 17 P 4.2779 0.0000 0.0000 65.3881 31.1435 176.5775 18 G 3.9512 9.3548 111.6034 44.9607 0.0000 172.3548 19 F 4.9356 8.0222 117.8497 54.3336 41.6962 173.7248 20 P 4.5433 0.0000 0.0000 62.9043 31.6653 176.1359 21 E 4.3583 8.7163 119.7164 57.8991 29.8556 176.7417 22 K 4.5894 7.8616 118.0014 54.6652 35.2560 176.6255 23 I 3.9008 8.4924 116.8498 61.5704 38.2053 175.7840 24 A 4.2692 7.3666 125.2904 53.7537 18.4900 177.7802 25 G 3.8615 9.9898 111.1823 45.9790 0.0000 173.6436 26 S 4.5897 7.8130 115.2965 55.9025 64.9907 174.8600 27 K 3.6934 8.2907 120.8282 59.1532 31.6095 176.5259 28 Y 4.8623 7.3530 114.5297 57.5741 38.0105 174.8045 29 D 4.5181 8.0328 121.0567 53.3293 41.4851 174.3982 30 P 4.2327 0.0000 0.0000 64.0768 31.7148 176.7871 31 K 3.8458 8.2942 115.3681 57.5894 29.6844 175.8909 32 H 4.3229 7.9668 114.8439 55.8282 29.7526 175.3627 33 D 4.6107 8.6349 123.8574 52.5527 40.9982 174.8651 34 P 4.5081 0.0000 0.0000 65.9244 30.6000 178.0006 35 K 3.8913 8.2622 118.3135 59.4743 32.3808 178.1185 36 E 4.1147 8.6013 119.0586 59.4138 29.3796 179.1293 37 L 4.0454 7.9689 116.7884 57.0945 41.5982 178.0963 38 N 4.7770 7.7207 114.9042 52.9887 39.0208 176.8627 39 K 3.9636 8.0307 121.7251 59.5721 32.1892 178.8477 40 Q 3.9843 8.1380 117.4882 59.0374 28.6281 178.8009 41 A 3.9815 7.9574 120.9890 55.3357 18.3797 179.2542 42 D 4.2592 7.8089 116.9599 57.4840 40.8900 178.6243 43 S 4.0776 8.1107 113.6505 61.7539 62.1863 176.5989 44 I 3.7386 7.7446 122.2915 64.2101 37.0074 178.4551 45 K 4.1229 8.2718 118.9972 59.1921 32.4244 179.2813 46 Q 3.9701 8.3710 120.4726 59.2647 28.5581 178.2650 47 M 4.0394 7.9983 119.6920 58.5477 31.9368 178.7269 48 E 3.9639 8.5886 119.0962 59.1439 29.6850 179.0451 49 E 3.8917 8.1536 119.3905 59.3270 29.6760 179.1140 50 R 3.8507 8.1145 118.1181 59.4215 30.1654 178.7371 51 N 4.3046 8.3846 116.5038 56.1137 38.4502 177.1015 52 K 3.8489 8.2358 121.0967 59.6259 32.2110 178.8446 53 K 3.9148 7.8323 117.8842 59.5063 31.9908 179.4669 54 R 3.6514 8.0867 118.4434 59.1771 29.9233 179.3287 55 V 3.8129 8.2580 118.2161 66.0161 31.5456 177.4554 56 E 3.9127 8.3414 119.1645 59.4594 29.4630 178.1135 57 N 4.2324 8.2611 116.9740 56.7627 38.9445 176.4255 58 F 4.7283 8.1593 123.1420 60.7774 39.3027 177.0888 59 K 3.6287 8.0528 116.9103 59.8499 31.9836 178.4818 60 K 3.8073 8.0246 118.3295 60.2358 32.0764 178.1733 61 T 4.1676 8.6937 111.8063 62.3049 69.4218 176.1548 62 G 3.8457 8.5535 109.2963 45.0998 0.0000 172.9702 63 K 4.6926 7.9575 121.4060 54.3416 33.9704 174.5123 64 F 4.2382 8.7952 128.5571 57.0004 40.2021 174.0627 65 E 4.5396 7.5486 127.7605 54.4543 31.6879 174.6212 66 Y 4.0813 8.7774 127.6460 60.1069 39.5951 174.5142 67 D 4.3267 8.2185 120.1934 53.7402 40.8780 176.5097 68 V 3.4641 8.2254 127.8788 65.6791 31.8456 177.9133 69 A 3.9845 7.9621 122.1687 54.9952 18.1745 178.3680 70 K 4.2417 7.7530 112.3362 57.1805 32.5750 177.2390 71 I 4.1119 7.3729 120.7092 60.6481 38.0027 176.1369 72 S 4.3525 8.4613 118.8820 58.7239 63.0888 174.0909 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 Y 8.13 4.85 0.00 2.65 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 D 8.23 4.26 0.00 2.74 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 G 7.89 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 0.00 0.00 0.00 4 T 7.95 4.12 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 1.19 0.00 0.00 5 K 8.00 4.53 0.00 1.86 1.83 0.00 1.53 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.32 1.60 7.81 6 C 8.61 5.07 0.00 2.99 3.41 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 0.00 7 K 8.85 3.79 0.00 1.79 1.93 0.00 1.84 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.49 7.81 8 A 7.78 4.35 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 9 A 8.60 4.07 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 10 G 9.15 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 N 8.61 4.85 0.00 2.69 2.83 0.00 0.00 6.95 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 C 8.67 5.17 0.00 3.09 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 13 W 7.79 4.10 0.00 3.39 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 14 E 5.90 3.87 0.00 1.32 1.34 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 2.02 2.23 0.00 15 P 0.00 3.75 0.00 2.33 2.07 0.00 3.26 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.86 0.00 16 K 8.16 4.14 0.00 1.70 1.80 0.00 1.45 0.00 0.00 1.76 0.00 0.00 2.85 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.58 1.36 7.81 17 P 0.00 4.28 0.00 2.11 2.11 0.00 3.72 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.16 0.00 18 G 9.35 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 19 F 8.02 4.94 0.00 3.15 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 20 P 0.00 4.54 0.00 2.52 2.16 0.00 4.20 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.19 0.00 21 E 8.72 4.36 0.00 2.02 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 0.00 2.46 2.47 0.00 22 K 7.86 4.59 0.00 1.84 1.68 0.00 1.74 0.00 0.00 1.89 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.47 7.81 23 I 8.49 3.90 2.15 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 1.35 0.65 1.06 0.00 0.00 24 A 7.37 4.27 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 G 9.99 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 S 7.81 4.59 0.00 3.99 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 27 K 8.29 3.69 0.00 1.41 1.16 0.00 0.61 0.00 0.00 1.45 0.00 0.00 2.80 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.01 1.23 7.81 28 Y 7.35 4.86 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 29 D 8.03 4.52 0.00 2.96 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.23 0.00 1.67 1.77 0.00 3.83 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.07 0.00 31 K 8.29 3.85 0.00 1.89 1.89 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.61 1.62 7.81 32 H 7.97 4.32 0.00 3.13 3.21 0.00 5.71 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 33 D 8.63 4.61 0.00 2.76 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.51 0.00 2.30 2.32 0.00 3.77 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.05 0.00 35 K 8.26 3.89 0.00 2.05 1.97 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.42 1.54 7.81 36 E 8.60 4.11 0.00 2.14 1.95 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 2.50 2.49 0.00 37 L 7.97 4.05 0.00 1.60 1.73 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 38 N 7.72 4.78 0.00 2.68 2.82 0.00 0.00 6.83 7.22 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 39 K 8.03 3.96 0.00 1.89 1.85 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.75 7.81 40 Q 8.14 3.98 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 41 A 7.96 3.98 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 42 D 7.81 4.26 0.00 2.82 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 43 S 8.11 4.08 0.00 3.99 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 44 I 7.74 3.74 2.01 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 1.58 0.72 0.91 0.00 0.00 45 K 8.27 4.12 0.00 1.98 2.06 0.00 1.31 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.41 1.47 7.81 46 Q 8.37 3.97 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.84 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 47 M 8.00 4.04 0.00 2.09 2.23 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.59 0.00 48 E 8.59 3.96 0.00 2.12 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 2.34 2.60 0.00 49 E 8.15 3.89 0.00 2.29 1.93 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 2.30 2.49 0.00 50 R 8.11 3.85 0.00 1.95 1.84 0.00 3.09 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.84 0.00 51 N 8.38 4.30 0.00 2.74 2.93 0.00 0.00 6.70 8.32 0.00 0.00 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 K 8.24 3.85 0.00 2.05 2.02 0.00 1.54 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.55 7.81 53 K 7.83 3.91 0.00 2.02 1.78 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.61 7.81 54 R 8.09 3.65 0.00 1.97 1.62 0.00 3.17 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.74 0.00 55 V 8.26 3.81 2.17 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 1.20 0.00 0.00 1.12 0.00 0.00 56 E 8.34 3.91 0.00 2.31 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 57 N 8.26 4.23 0.00 2.87 2.95 0.00 0.00 6.92 7.22 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 F 8.16 4.73 0.00 3.27 3.39 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 0.00 59 K 8.05 3.63 0.00 1.95 1.81 0.00 1.79 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.62 7.81 60 K 8.02 3.81 0.00 1.93 1.84 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.46 7.81 61 T 8.69 4.17 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 1.27 0.00 0.00 62 G 8.55 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 0.00 0.00 0.00 63 K 7.96 4.69 0.00 1.90 1.74 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.43 7.81 64 F 8.80 4.24 0.00 2.12 2.67 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 0.00 65 E 7.55 4.54 0.00 1.81 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.33 0.00 66 Y 8.78 4.08 0.00 3.11 3.04 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 67 D 8.22 4.33 0.00 2.78 2.65 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 0.00 0.00 0.00 0.00 68 V 8.23 3.46 1.97 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 0.84 0.00 0.00 0.75 0.00 0.00 69 A 7.96 3.98 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 7.75 4.24 0.00 1.88 1.85 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.40 7.81 71 I 7.37 4.11 1.94 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.59 0.90 0.00 0.00 72 S 8.46 4.35 0.00 3.81 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