NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4938 8.3044 120.3327 54.9252 33.4532 174.6500 2 K 4.0479 8.5347 123.2330 55.5715 33.2361 175.1110 3 K 4.7107 9.1100 125.6603 56.4306 34.8664 174.8564 4 Y 4.8681 8.9131 119.4114 56.4512 42.1204 174.3436 5 T 5.0332 8.7622 117.6537 60.1742 70.7549 172.5887 6 C 3.3581 8.8235 129.7817 58.8535 31.7536 174.5313 7 T 4.0311 8.5131 117.9336 64.0816 68.8830 176.1710 8 V 3.7673 7.7192 121.8432 65.0492 31.6937 176.0249 9 C 4.6729 7.9915 110.1220 57.0760 30.8508 174.6774 10 G 3.9022 8.6538 109.3761 44.7901 0.0000 173.0630 11 Y 4.2246 7.8635 121.2126 58.3821 39.9198 174.8171 12 I 4.7282 7.5068 126.4138 59.5682 39.3601 174.4787 13 Y 4.2852 9.5640 130.1203 57.2382 40.0795 173.5379 14 N 4.7438 7.9884 126.1249 51.1855 40.3516 173.3216 15 P 4.1814 0.0000 0.0000 65.7224 31.7653 178.7296 16 E 4.1374 7.9523 116.9340 59.0043 29.5248 177.8195 17 D 4.4395 7.9899 117.3536 54.1889 42.0125 178.0303 18 G 4.2050 7.7655 107.2451 45.3698 0.0000 172.9540 19 D 5.0013 8.7027 112.1308 52.0553 41.5865 175.2193 20 P 4.4335 0.0000 0.0000 65.8121 31.9699 179.2360 21 D 4.4840 8.2554 117.2757 56.3126 40.8507 176.4932 22 N 4.9143 8.3011 115.8451 52.9628 38.9980 175.3307 23 G 3.7820 8.4048 105.1102 45.7252 0.0000 174.4496 24 V 4.0723 7.4453 119.9175 60.4652 31.3070 174.8978 25 N 4.7435 8.3611 125.0721 52.1743 39.1655 173.2325 26 P 4.2486 0.0000 0.0000 64.8462 31.7396 176.8713 27 G 3.9291 9.4022 110.9599 45.5267 0.0000 173.1690 28 T 4.2387 7.2801 116.5953 62.1308 69.3352 174.4652 29 D 4.5662 8.5182 126.2551 53.8584 42.4045 176.5346 30 F 3.4424 9.0283 127.9153 60.8946 39.3827 177.3485 31 K 3.8526 7.9334 118.0880 59.2416 32.3566 177.0702 32 D 4.4905 7.5618 117.6031 54.3906 41.3115 176.8420 33 I 3.4255 6.6678 121.2210 60.0032 37.5994 174.2070 34 P 4.0955 0.0000 0.0000 63.4283 31.5095 176.6539 35 D 4.5696 8.6628 120.7398 55.3960 40.6151 176.3764 36 D 4.7235 7.7347 117.8482 52.6360 40.2666 176.5642 37 W 4.2184 8.0745 130.7452 57.5959 31.2092 175.2846 38 V 4.2087 6.8840 116.3953 58.6534 34.7934 175.0514 39 C 3.6005 8.6807 122.3906 59.0795 31.5165 173.2375 40 P 4.0558 0.0000 0.0000 64.8319 31.1871 177.0865 41 L 4.3267 7.4196 117.9958 55.6701 42.4271 176.6749 42 C 4.6121 7.6858 109.1252 56.8688 30.7212 174.7935 43 G 3.7587 8.3746 108.5578 45.3588 0.0000 173.9261 44 A 4.0739 7.6023 123.1557 51.7123 19.2362 177.9129 45 G 4.1157 8.4762 110.3284 44.8730 0.0000 174.7551 46 K 4.1396 8.7898 118.9934 59.4079 32.1067 179.2134 47 D 4.5794 8.2754 116.7179 55.6246 39.5385 176.6805 48 Q 4.5824 8.6506 119.0574 55.7514 28.8524 174.9086 49 F 5.3029 8.5479 117.2646 56.0817 41.2405 174.7734 50 E 4.9809 8.7166 119.6616 54.5522 33.2938 174.4025 51 E 3.1480 8.5778 120.3858 56.8616 29.6453 177.2813 52 V 3.4670 8.3473 125.2441 65.0628 31.6921 175.9222 53 E 4.0596 7.8830 123.3193 56.8606 29.5286 174.5365 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 8.30 4.49 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.59 0.00 2 K 8.53 4.05 0.00 1.84 1.89 0.00 1.53 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.11 1.32 7.81 3 K 9.11 4.71 0.00 1.70 1.68 0.00 1.61 0.00 0.00 1.76 0.00 0.00 2.74 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.47 1.44 7.81 4 Y 8.91 4.87 0.00 2.57 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 5 T 8.76 5.03 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 1.22 0.00 0.00 6 C 8.82 3.36 0.00 2.31 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.51 4.03 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 1.23 0.00 0.00 8 V 7.72 3.77 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 0.81 0.00 0.00 0.96 0.00 0.00 9 C 7.99 4.67 0.00 3.07 2.95 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 10 G 8.65 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 11 Y 7.86 4.22 0.00 3.16 2.93 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 0.00 0.00 0.00 12 I 7.51 4.73 1.67 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 1.16 0.84 0.82 0.00 0.00 13 Y 9.56 4.29 0.00 3.65 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 14 N 7.99 4.74 0.00 2.62 2.46 0.00 0.00 7.16 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 15 P 0.00 4.18 0.00 2.23 2.21 0.00 3.58 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 16 E 7.95 4.14 0.00 1.96 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 2.31 2.40 0.00 17 D 7.99 4.44 0.00 2.70 2.71 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 18 G 7.77 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 0.00 0.00 0.00 0.00 19 D 8.70 5.00 0.00 3.18 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 4.43 0.00 2.30 2.34 0.00 3.86 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.04 0.00 21 D 8.26 4.48 0.00 2.75 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 8.30 4.91 0.00 3.12 2.92 0.00 0.00 7.05 7.07 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 23 G 8.40 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 24 V 7.45 4.07 2.25 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 0.87 0.00 0.00 0.55 0.00 0.00 25 N 8.36 4.74 0.00 2.86 2.73 0.00 0.00 7.03 8.03 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 26 P 0.00 4.25 0.00 2.04 2.20 0.00 3.69 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 2.05 2.31 0.00 27 G 9.40 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 28 T 7.28 4.24 4.26 0.00 0.00 0.00 0.00 0.00 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 29 D 8.52 4.57 0.00 2.73 2.68 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 0.00 0.00 0.00 0.00 30 F 9.03 3.44 0.00 2.68 2.25 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 31 K 7.93 3.85 0.00 1.84 1.93 0.00 1.63 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.55 1.41 7.81 32 D 7.56 4.49 0.00 2.71 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 I 6.67 3.43 0.94 0.00 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 -0.12 -0.05 0.00 0.00 34 P 0.00 4.10 0.00 2.21 1.95 0.00 3.39 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.04 0.00 35 D 8.66 4.57 0.00 2.62 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 36 D 7.73 4.72 0.00 2.77 2.76 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 0.00 0.00 0.00 37 W 8.07 4.22 0.00 3.05 3.01 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 0.00 0.00 0.00 38 V 6.88 4.21 1.96 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 0.71 0.00 0.00 0.64 0.00 0.00 39 C 8.68 3.60 0.00 3.14 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 40 P 0.00 4.06 0.00 2.05 2.05 0.00 3.03 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 1.82 0.00 41 L 7.42 4.33 0.00 1.61 1.75 1.10 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 42 C 7.69 4.61 0.00 2.99 2.95 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 43 G 8.37 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 44 A 7.60 4.07 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 G 8.48 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.79 4.14 0.00 1.86 1.92 0.00 1.52 0.00 0.00 1.75 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.74 7.81 47 D 8.28 4.58 0.00 2.87 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 48 Q 8.65 4.58 0.00 2.42 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 49 F 8.55 5.30 0.00 3.37 3.01 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 0.00 0.00 0.00 50 E 8.72 4.98 0.00 2.01 2.04 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 2.18 2.25 0.00 51 E 8.58 3.15 0.00 1.65 1.57 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 1.51 2.08 0.00 52 V 8.35 3.47 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 0.66 0.00 0.00 0.84 0.00 0.00 53 E 7.88 4.06 0.00 2.07 1.84 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 0.00 2.13 2.15 0.00