NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.7034 8.3501 109.7349 45.3859 0.0000 173.0322 3 A 3.6171 7.9635 122.6499 49.4329 18.3367 175.0344 4 Q 4.4804 8.1612 116.6570 54.1294 32.7025 173.7925 5 V 3.7267 8.1243 117.4836 62.6060 30.2481 174.7304 6 D 4.7338 8.0954 126.4342 53.2051 41.7914 176.8875 7 C 4.1648 7.9218 118.4484 58.1787 41.4686 175.6401 8 A 3.9081 7.9598 122.3444 55.6218 18.3425 179.3434 9 E 4.0125 8.3146 114.3066 59.2700 29.5314 177.7593 10 F 4.9258 7.9735 112.1582 56.6771 38.0747 175.3614 11 K 4.4102 8.0217 120.7644 57.2691 32.3732 178.0806 12 D 4.4957 8.4770 118.3067 56.4055 40.2750 175.7599 13 P 4.2924 0.0000 0.0000 60.4978 32.4970 175.5515 14 K 3.8475 7.9395 117.7353 55.9802 30.0090 175.6467 15 V 4.2508 7.4382 117.0468 61.1137 33.8996 173.8864 16 Y 4.1359 8.6348 128.8539 57.5827 39.3390 175.5527 17 C 4.4428 7.7742 124.0092 56.5534 42.3434 172.9094 18 T 3.5194 8.1925 113.7509 62.1417 65.2471 170.1359 19 R 4.3828 7.4173 124.2186 55.7854 37.7400 174.2657 20 E 4.5413 8.7462 126.8499 55.5697 29.8629 177.8884 21 S 4.5793 8.2548 126.5322 56.8320 64.1749 171.0166 22 N 4.5563 8.3425 123.9055 51.5756 38.5916 171.9112 23 P 4.8975 0.0000 0.0000 62.1565 33.6844 174.3490 24 H 5.0282 8.5714 114.5934 54.8920 32.4979 171.7471 25 C 5.0562 9.2217 122.6506 56.1288 42.9454 172.6741 26 G 4.5091 9.2374 114.4975 45.0848 0.0000 173.3358 27 S 4.8469 8.5494 117.9793 57.3448 60.8569 171.9100 28 N 4.7881 7.8250 126.3037 54.7866 45.7800 175.4222 29 G 4.0915 6.2940 115.2303 44.5985 0.0000 172.2848 30 E 4.5407 7.3633 117.8460 55.4209 32.7928 174.2095 31 T 4.7398 8.3183 122.8551 62.4725 68.0854 174.0738 32 Y 4.1399 9.3300 125.8395 57.2436 38.1573 176.6358 33 G 3.7284 8.1791 113.0446 46.4331 0.0000 172.6485 34 N 5.0822 7.6991 115.7925 50.4852 42.5130 176.1302 35 K 4.1586 8.2410 123.4858 59.8260 32.2289 178.7034 36 C 4.4243 8.3641 118.2404 59.6033 38.1138 175.1713 37 A 4.0235 8.0986 121.8950 55.2062 18.0088 179.0059 38 F 3.8047 8.5292 119.1633 61.6901 39.4230 176.7469 39 C 4.0943 8.4610 115.9445 59.9900 39.8284 176.2225 40 K 3.8531 8.3408 119.0398 59.2814 31.8723 179.0737 41 A 4.0725 7.8377 120.6535 55.1593 18.1868 179.5146 42 V 3.2200 7.2170 115.7160 66.5666 31.3899 177.3903 43 M 4.0648 7.5079 116.2384 58.9730 32.0730 176.4409 44 K 3.7668 8.7010 119.7857 55.6388 32.0200 182.2137 45 S 3.0372 6.4020 113.7178 57.3646 65.6839 173.4676 46 G 3.9629 7.2414 121.2940 44.8749 0.0000 173.8022 47 G 4.6204 8.6669 127.0700 45.5594 0.0000 168.1601 48 K 3.7355 8.3506 130.8116 55.9109 28.9395 176.9260 49 I 4.6680 7.5533 127.0047 60.0323 38.1510 175.2563 50 N 4.7614 7.7678 119.1354 52.7774 39.7495 175.4945 51 L 4.7759 8.0867 120.5616 55.3140 41.3425 175.4584 52 K 4.4485 7.7680 116.2302 57.2884 36.9933 176.2955 53 H 4.7194 7.7992 115.5037 54.8150 30.2851 175.0350 54 R 4.4237 8.4557 122.1329 56.6117 31.7327 177.9963 55 G 3.7823 8.4816 110.6166 46.2139 0.0000 174.4371 56 K 4.1541 8.4582 123.5124 56.5630 33.4783 177.7745 57 C 4.3047 8.5768 119.3204 56.9742 44.6158 173.2453 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 2 G 8.35 3.70 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 0.00 0.00 0.00 0.00 0.00 0.00 3 A 7.96 3.62 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.16 4.48 0.00 2.08 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 7.15 0.00 0.00 0.00 0.00 0.00 2.18 2.23 0.00 5 V 8.12 3.73 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 0.63 0.00 0.00 0.87 0.00 0.00 6 D 8.10 4.73 0.00 2.62 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 7 C 7.92 4.16 0.00 2.92 2.98 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 0.00 0.00 0.00 8 A 7.96 3.91 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.31 4.01 0.00 1.91 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 0.00 2.32 2.41 0.00 10 F 7.97 4.93 0.00 2.98 2.97 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 11 K 8.02 4.41 0.00 1.94 1.90 0.00 1.71 0.00 0.00 1.77 0.00 0.00 3.11 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.45 7.81 12 D 8.48 4.50 0.00 2.72 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.29 0.00 2.08 1.97 0.00 3.90 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.93 0.00 14 K 7.94 3.85 0.00 1.91 1.92 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.35 7.81 15 V 7.44 4.25 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 0.42 0.00 0.00 0.81 0.00 0.00 16 Y 8.63 4.14 0.00 2.89 2.86 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 17 C 7.77 4.44 0.00 2.70 2.83 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 18 T 8.19 3.52 4.21 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 19 R 7.42 4.38 0.00 1.90 1.87 0.00 3.36 0.00 0.00 3.32 7.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.70 0.00 20 E 8.75 4.54 0.00 2.13 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 0.00 2.21 2.40 0.00 21 S 8.25 4.58 0.00 3.97 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 22 N 8.34 4.56 0.00 2.99 2.96 0.00 0.00 6.36 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 P 0.00 4.90 0.00 2.10 2.17 0.00 3.88 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.78 0.00 24 H 8.57 5.03 0.00 3.07 3.31 0.00 5.45 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 25 C 9.22 5.06 0.00 3.07 3.07 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 26 G 9.24 4.51 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 27 S 8.55 4.85 0.00 3.97 3.98 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 0.00 0.00 0.00 28 N 7.83 4.79 0.00 2.78 2.91 0.00 0.00 7.19 7.68 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 29 G 6.29 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 0.00 0.00 0.00 30 E 7.36 4.54 0.00 2.02 1.60 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 2.12 2.23 0.00 31 T 8.32 4.74 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 1.28 0.00 0.00 32 Y 9.33 4.14 0.00 3.26 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 33 G 8.18 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.70 5.08 0.00 2.92 2.81 0.00 0.00 6.70 7.35 0.00 0.00 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 K 8.24 4.16 0.00 1.97 2.16 0.00 1.52 0.00 0.00 1.66 0.00 0.00 2.15 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.56 1.33 7.81 36 C 8.36 4.42 0.00 3.05 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 37 A 8.10 4.02 1.56 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 0.00 0.00 38 F 8.53 3.80 0.00 3.10 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 39 C 8.46 4.09 0.00 3.38 3.19 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 40 K 8.34 3.85 0.00 1.85 1.88 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.56 1.66 7.81 41 A 7.84 4.07 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 0.00 0.00 0.00 0.00 0.00 42 V 7.22 3.22 1.81 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 0.57 0.00 0.00 -0.13 0.00 0.00 43 M 7.51 4.06 0.00 2.21 2.05 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.53 0.00 44 K 8.70 3.77 0.00 1.75 1.73 0.00 1.87 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.54 7.81 45 S 6.40 3.04 0.00 3.91 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 46 G 7.24 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.67 4.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.35 3.74 0.00 1.93 1.94 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.29 1.37 7.81 49 I 7.55 4.67 1.69 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 1.34 0.43 0.93 0.00 0.00 50 N 7.77 4.76 0.00 2.77 2.75 0.00 0.00 6.73 6.73 0.00 0.00 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 L 8.09 4.78 0.00 1.39 0.99 0.79 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 52 K 7.77 4.45 0.00 1.73 1.64 0.00 1.68 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.29 1.36 7.81 53 H 7.80 4.72 0.00 3.24 3.19 0.00 5.80 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 R 8.46 4.42 0.00 1.81 1.86 0.00 3.69 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.56 0.00 55 G 8.48 3.78 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 0.00 0.00 0.00 56 K 8.46 4.15 0.00 1.84 1.82 0.00 1.43 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.47 7.81 57 C 8.58 4.30 0.00 2.96 2.98 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 0.00 0.00 0.00