NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4587 8.1476 120.2748 54.9605 33.6428 176.3127 2 E 3.9723 8.7390 122.5536 59.2324 29.6754 177.6663 3 Y 3.9126 8.1365 117.5279 60.7584 38.3333 179.6329 4 V 3.5734 7.6483 118.7291 66.1472 31.6611 177.3947 5 Y 4.3960 7.5389 116.2846 61.2131 37.7248 178.6704 6 A 3.9962 8.2534 121.3304 55.0473 18.4240 179.5559 7 A 3.9575 8.0921 119.2576 55.4647 18.4321 179.9677 8 L 3.9844 8.3846 117.9211 57.4685 41.4130 179.2700 9 L 3.9569 8.2583 120.7771 58.2784 41.9325 178.9717 10 L 3.9375 7.8362 118.5591 58.2953 41.6601 179.1107 11 H 4.1632 8.5153 118.3620 59.2683 29.5545 177.3631 12 S 4.2335 8.3645 115.3592 60.5703 62.6871 175.9488 13 V 4.3448 7.0456 113.3480 60.3757 31.7871 176.0109 14 G 3.8548 7.8043 105.9440 46.2064 0.0000 173.9407 15 K 4.4164 8.0286 118.8719 54.1600 33.3313 176.5880 16 E 3.9312 8.6328 123.9032 56.5762 29.9749 177.0199 17 I 4.1517 8.1885 127.4769 60.2423 36.2968 174.6566 18 N 5.1396 7.9965 122.9582 49.9807 41.8438 174.4566 19 E 3.9401 8.5723 119.3474 59.3240 29.5871 178.0388 20 E 3.9156 8.1197 118.8012 59.5619 29.8119 178.4666 21 N 4.3523 8.8804 116.8431 56.1569 38.5909 177.4835 22 L 3.9924 8.0451 120.3827 57.7604 41.6795 179.6794 23 K 3.9645 8.3509 118.3404 59.4283 32.0958 179.1877 24 A 3.9695 8.1891 121.1021 55.2041 18.0768 179.9238 25 V 3.5263 7.5470 115.5059 66.0346 32.0476 177.9473 26 L 4.0478 7.9577 118.7000 57.9957 41.4187 179.5281 27 Q 4.4611 8.6120 119.2882 58.4610 28.3993 178.8465 28 A 3.9952 7.8284 120.4374 54.5971 18.4519 178.5691 29 A 4.3237 7.5206 116.6072 52.2184 18.6378 178.0013 30 G 3.8577 8.1632 105.9360 45.7320 0.0000 173.9910 31 V 4.3703 7.3644 111.5677 58.8227 34.5737 174.6439 32 E 4.3956 8.5835 124.0209 54.7843 29.5750 174.6750 33 P 4.4442 0.0000 0.0000 62.2743 32.3468 176.2404 34 E 4.3527 9.8078 123.6595 55.1520 30.3830 176.6820 35 E 3.9201 8.9647 127.5307 59.6209 29.5663 178.5464 36 A 3.9451 7.8962 120.0562 55.1990 18.4810 179.7114 37 R 3.5682 7.6817 116.0845 59.0953 30.0679 179.1621 38 I 3.6682 7.5194 119.6100 64.1734 37.1544 178.1451 39 K 3.8137 8.2584 120.5225 59.7033 31.9152 178.5633 40 A 3.9513 8.1759 121.1249 54.9253 18.3331 179.4072 41 L 3.8267 7.8246 118.8910 58.3009 42.0005 179.3052 42 V 3.5814 7.6924 116.7166 65.9845 31.6723 177.5421 43 A 4.0999 8.0886 120.3135 55.1138 18.0267 179.5060 44 A 3.9958 8.1677 118.5409 54.8075 18.7344 179.0292 45 L 4.2693 7.7255 115.9188 54.4728 41.9850 176.5012 46 E 4.1282 7.2605 120.9988 57.4092 29.8283 177.1252 47 G 3.9135 8.8921 113.7585 45.4868 0.0000 173.0809 48 V 3.8453 7.4953 120.1172 61.8797 32.4179 175.9633 49 N 4.6277 8.5088 125.6018 52.5022 38.7302 175.2585 50 I 3.6545 8.1095 129.4143 64.3844 37.1481 177.6116 51 D 4.4463 8.2259 118.0928 57.4637 40.9814 178.6378 52 E 4.1255 8.0655 118.1894 59.6280 29.5210 179.7541 53 V 3.7753 7.5511 110.6945 63.7292 31.6850 178.1845 54 I 3.9142 7.5835 111.6105 62.6335 37.4454 176.2731 55 E 4.5830 7.7703 118.7250 55.8430 30.1044 175.7545 56 K 4.7827 7.7222 117.2179 55.1685 37.1153 173.0433 57 A 4.6240 8.8586 123.1076 51.1879 19.6489 175.8584 58 A 4.0757 9.5858 124.6982 53.5705 18.6323 178.6068 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 M 8.15 4.46 0.00 2.13 1.93 0.00 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.55 0.00 2 E 8.74 3.97 0.00 2.19 2.23 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 1.81 2.14 0.00 3 Y 8.14 3.91 0.00 3.06 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 4 V 7.65 3.57 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.87 0.00 0.00 5 Y 7.54 4.40 0.00 3.20 2.89 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 0.00 0.00 0.00 6 A 8.25 4.00 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 7 A 8.09 3.96 1.41 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 0.00 0.00 8 L 8.38 3.98 0.00 1.78 1.80 0.98 0.41 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 9 L 8.26 3.96 0.00 1.82 2.02 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 10 L 7.84 3.94 0.00 1.98 1.89 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 11 H 8.52 4.16 0.00 3.19 3.44 0.00 5.59 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.36 4.23 0.00 4.06 4.13 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 V 7.05 4.34 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 1.01 0.00 0.00 14 G 7.80 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 15 K 8.03 4.42 0.00 1.91 1.75 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.51 7.81 16 E 8.63 3.93 0.00 1.93 1.87 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 2.31 2.35 0.00 17 I 8.19 4.15 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.72 0.94 0.00 0.00 18 N 8.00 5.14 0.00 2.94 3.06 0.00 0.00 5.78 7.66 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 19 E 8.57 3.94 0.00 2.07 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 2.39 2.39 0.00 20 E 8.12 3.92 0.00 2.08 2.07 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 2.39 2.41 0.00 21 N 8.88 4.35 0.00 2.93 2.86 0.00 0.00 7.11 6.28 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 22 L 8.05 3.99 0.00 2.10 1.78 0.97 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 23 K 8.35 3.96 0.00 1.97 1.88 0.00 1.69 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.73 7.81 24 A 8.19 3.97 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 25 V 7.55 3.53 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 0.86 0.00 0.00 0.97 0.00 0.00 26 L 7.96 4.05 0.00 1.96 1.60 0.71 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 27 Q 8.61 4.46 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 28 A 7.83 4.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.52 4.32 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 30 G 8.16 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 31 V 7.36 4.37 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 0.95 0.00 0.00 0.87 0.00 0.00 32 E 8.58 4.40 0.00 1.94 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 2.30 2.34 0.00 33 P 0.00 4.44 0.00 2.17 2.05 0.00 3.75 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 2.05 2.06 0.00 34 E 9.81 4.35 0.00 2.07 1.87 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 2.33 2.31 0.00 35 E 8.96 3.92 0.00 2.13 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 2.38 2.45 0.00 36 A 7.90 3.95 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 37 R 7.68 3.57 0.00 1.16 0.68 0.00 3.01 0.00 0.00 2.75 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.65 0.00 38 I 7.52 3.67 1.92 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.03 0.95 0.00 0.00 39 K 8.26 3.81 0.00 1.93 1.93 0.00 1.62 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.46 7.81 40 A 8.18 3.95 1.25 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 0.00 0.00 41 L 7.82 3.83 0.00 1.81 1.80 0.91 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 42 V 7.69 3.58 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 0.87 0.00 0.00 1.01 0.00 0.00 43 A 8.09 4.10 1.39 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 0.00 0.00 44 A 8.17 4.00 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 45 L 7.73 4.27 0.00 2.08 1.71 0.90 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 46 E 7.26 4.13 0.00 2.05 1.86 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 2.32 2.40 0.00 47 G 8.89 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.50 3.85 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 0.75 0.00 0.00 1.01 0.00 0.00 49 N 8.51 4.63 0.00 2.80 2.72 0.00 0.00 7.22 7.80 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 50 I 8.11 3.65 1.68 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.87 0.62 0.00 0.00 51 D 8.23 4.45 0.00 2.82 2.78 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 52 E 8.07 4.13 0.00 2.17 1.98 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 2.33 2.51 0.00 53 V 7.55 3.78 2.07 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 0.79 0.00 0.00 0.98 0.00 0.00 54 I 7.58 3.91 1.88 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 1.78 0.53 0.91 0.00 0.00 55 E 7.77 4.58 0.00 2.16 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 0.00 2.26 2.37 0.00 56 K 7.72 4.78 0.00 1.79 1.71 0.00 1.53 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.29 1.41 7.81 57 A 8.86 4.62 0.99 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 0.00 0.00 58 A 9.59 4.08 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