NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4188 8.3344 115.4126 58.1148 63.8199 172.5130 3 I 4.3857 7.7249 121.9026 57.0567 40.4433 175.0334 4 S 4.1666 8.9724 121.5118 60.6318 64.0474 173.9005 5 A 4.0159 7.2269 125.0553 52.4699 17.9148 177.5725 6 R 4.0793 8.5888 121.8475 57.8103 30.9206 176.1961 7 N 4.8328 7.7564 115.6819 51.7729 40.1802 174.3913 8 Q 4.7732 8.6614 122.8916 54.2160 32.0328 174.8434 9 L 4.7123 8.9482 125.6705 52.5336 44.1276 176.6774 10 K 4.5621 8.8020 124.0371 56.7269 33.2621 176.4597 11 G 4.1353 9.0623 109.8953 45.6900 0.0000 171.4026 12 K 5.1587 8.7117 120.5524 54.1002 35.4748 175.4629 13 V 4.2456 8.8524 128.0419 63.3926 32.0380 176.4039 14 V 4.3823 9.0030 120.6227 61.2419 33.3792 175.9475 15 G 4.2957 7.7827 107.0100 44.9824 0.0000 172.1120 16 L 5.1113 8.3033 124.3612 53.5052 45.3635 174.5090 17 K 4.5523 9.3259 128.1821 54.5984 34.8768 174.6490 18 K 4.5738 8.8374 127.2969 55.3550 33.2448 176.9520 19 G 4.2937 8.6387 115.7221 44.8654 0.0000 173.2777 20 V 3.8694 8.4741 118.1707 64.6588 32.5127 177.7159 21 V 4.3226 7.8056 118.4669 63.6128 33.9969 175.1474 22 T 5.2503 7.7261 108.4919 59.8632 72.6572 172.4783 23 A 5.0306 8.9936 121.5812 50.5601 23.2196 174.6562 24 E 5.0058 9.4684 121.7468 54.4540 32.0944 174.7863 25 V 4.7799 9.1895 127.2173 61.0558 34.4577 174.0775 26 V 4.8593 8.8693 128.0030 61.0913 33.9964 174.0502 27 L 5.2274 9.0705 127.6815 52.8954 44.9421 174.9888 28 E 4.8792 9.3601 125.2744 55.2724 31.4411 175.1785 29 I 5.1277 8.7325 119.7909 58.2375 41.4082 174.4374 30 A 4.0626 8.5235 124.3924 54.2720 18.2375 178.1716 31 G 3.8494 8.7227 109.9402 45.1440 0.0000 174.4926 32 G 3.9620 8.0234 108.0812 44.7307 0.0000 173.9041 33 N 4.4754 7.9332 116.9493 53.8848 39.7954 173.8189 34 K 5.0944 8.5650 120.0206 54.7235 35.3405 175.4779 35 I 4.5916 8.8163 124.7700 59.7713 40.2542 174.5818 36 T 5.0630 8.5374 122.3301 61.7614 71.0998 173.3020 37 S 4.7667 9.3459 121.0848 56.4067 65.7452 172.5268 38 I 4.9764 8.4538 127.1416 59.6644 39.1398 174.5353 39 I 4.8569 8.4076 120.2878 58.5343 41.8994 174.9272 40 S 4.6725 8.4610 115.9470 57.7884 63.8352 175.0138 41 L 3.9800 8.9461 124.4999 58.4695 41.7380 179.2849 42 D 4.3828 8.0588 118.4633 57.4799 40.8034 178.7838 43 S 4.1307 8.1419 115.6536 61.4503 62.7497 176.7116 44 V 3.5947 7.6340 120.4747 66.1105 31.1984 177.9713 45 E 3.9395 8.2382 118.0193 59.6728 29.1567 179.3346 46 E 4.0600 8.0529 117.0836 58.8868 29.6207 178.4515 47 L 4.3823 8.3837 116.8800 53.6688 42.3981 176.6333 48 G 3.9749 7.9231 107.2489 46.1369 0.0000 174.5893 49 V 3.7061 7.8330 118.5080 62.5949 32.3727 175.0665 50 K 4.6780 8.2238 124.6267 54.5387 36.2160 175.2249 51 E 4.2020 8.5369 120.5898 58.2450 29.7368 177.9150 52 G 3.9425 9.0432 112.1356 44.9958 0.0000 173.7938 53 A 4.1693 7.8038 122.1508 52.0752 19.7141 176.4072 54 E 4.8040 8.6444 120.8728 55.4901 30.7493 175.6633 55 L 4.8421 9.2220 123.8881 53.7437 47.2825 174.9355 56 T 5.0927 8.3343 115.4733 61.8696 71.5933 173.8011 57 A 4.5187 8.9961 128.5366 51.0418 20.5704 176.2040 58 V 5.4364 8.2669 121.0201 60.0522 34.7318 174.8822 59 V 4.4826 8.1436 126.1597 60.7141 35.0250 174.5075 60 K 4.2417 8.6717 128.6937 56.1417 33.1871 177.5967 61 S 4.1227 8.8540 121.9402 62.0279 62.8779 176.4326 62 T 4.0776 7.8901 107.6561 63.3937 68.5185 174.1913 63 D 4.6204 8.0583 121.5076 54.1644 41.3324 176.0826 64 V 4.1127 7.5197 120.5148 61.5509 32.0064 175.3938 65 M 4.4875 8.3782 126.8261 54.3435 33.3902 175.4336 66 I 4.5058 8.0548 120.6850 59.3792 39.8577 175.0165 67 L 4.7069 8.4617 125.8351 53.0729 44.3650 175.8357 68 A 4.2964 8.3824 126.5980 52.4031 19.2609 175.7308 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 S 8.33 4.42 0.00 3.99 3.94 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 0.00 0.00 0.00 3 I 7.72 4.39 1.87 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 1.47 1.56 0.91 0.00 0.00 4 S 8.97 4.17 0.00 4.02 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 5 A 7.23 4.02 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 6 R 8.59 4.08 0.00 1.82 1.99 0.00 3.19 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 7 N 7.76 4.83 0.00 2.87 2.75 0.00 0.00 6.61 7.44 0.00 0.00 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 Q 8.66 4.77 0.00 1.87 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.74 0.00 0.00 0.00 0.00 0.00 2.25 2.35 0.00 9 L 8.95 4.71 0.00 1.52 1.56 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 10 K 8.80 4.56 0.00 1.64 1.74 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.45 7.81 11 G 9.06 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.71 5.16 0.00 1.80 1.61 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.51 7.81 13 V 8.85 4.25 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 1.06 0.00 0.00 0.99 0.00 0.00 14 V 9.00 4.38 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 0.78 0.00 0.00 0.93 0.00 0.00 15 G 7.78 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 L 8.30 5.11 0.00 1.59 1.51 0.96 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 17 K 9.33 4.55 0.00 1.80 1.61 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.31 1.37 7.81 18 K 8.84 4.57 0.00 1.67 1.72 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.43 7.81 19 G 8.64 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 20 V 8.47 3.87 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 0.80 0.00 0.00 0.93 0.00 0.00 21 V 7.81 4.32 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 0.80 0.00 0.00 0.93 0.00 0.00 22 T 7.73 5.25 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 1.21 0.00 0.00 23 A 8.99 5.03 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 24 E 9.47 5.01 0.00 1.99 1.80 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 2.21 2.22 0.00 25 V 9.19 4.78 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 0.83 0.00 0.00 0.93 0.00 0.00 26 V 8.87 4.86 2.16 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 0.95 0.00 0.00 0.93 0.00 0.00 27 L 9.07 5.23 0.00 1.55 1.51 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 28 E 9.36 4.88 0.00 1.99 1.80 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 2.26 2.25 0.00 29 I 8.73 5.13 1.87 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 1.24 0.59 0.94 0.00 0.00 30 A 8.52 4.06 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 31 G 8.72 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 32 G 8.02 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 33 N 7.93 4.48 0.00 2.69 2.77 0.00 0.00 6.92 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 34 K 8.56 5.09 0.00 1.59 1.68 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.42 7.81 35 I 8.82 4.59 1.87 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 1.23 0.92 0.91 0.00 0.00 36 T 8.54 5.06 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 1.25 0.00 0.00 37 S 9.35 4.77 0.00 3.81 3.65 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 38 I 8.45 4.98 1.87 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 1.40 0.78 0.91 0.00 0.00 39 I 8.41 4.86 1.87 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 1.28 1.23 0.91 0.00 0.00 40 S 8.46 4.67 0.00 4.02 4.03 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 0.00 0.00 0.00 0.00 41 L 8.95 3.98 0.00 1.72 1.71 0.92 1.35 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 42 D 8.06 4.38 0.00 2.72 2.70 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 43 S 8.14 4.13 0.00 4.01 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 44 V 7.63 3.59 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 1.10 0.00 0.00 0.93 0.00 0.00 45 E 8.24 3.94 0.00 2.22 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 2.57 0.00 46 E 8.05 4.06 0.00 1.95 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 2.34 2.59 0.00 47 L 8.38 4.38 0.00 1.60 1.70 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 48 G 7.92 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 49 V 7.83 3.71 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 0.79 0.00 0.00 0.93 0.00 0.00 50 K 8.22 4.68 0.00 1.80 1.62 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.43 1.65 7.81 51 E 8.54 4.20 0.00 1.95 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 2.32 2.32 0.00 52 G 9.04 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 53 A 7.80 4.17 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 54 E 8.64 4.80 0.00 1.86 1.90 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 2.27 2.33 0.00 55 L 9.22 4.84 0.00 1.49 1.51 0.92 0.49 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 56 T 8.33 5.09 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 1.22 0.00 0.00 57 A 9.00 4.52 1.23 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 0.00 0.00 0.00 58 V 8.27 5.44 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 0.78 0.00 0.00 0.93 0.00 0.00 59 V 8.14 4.48 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 0.92 0.00 0.00 0.93 0.00 0.00 60 K 8.67 4.24 0.00 1.83 1.65 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.46 7.81 61 S 8.85 4.12 0.00 3.92 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 62 T 7.89 4.08 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 63 D 8.06 4.62 0.00 2.82 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 64 V 7.52 4.11 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 0.78 0.00 0.00 0.93 0.00 0.00 65 M 8.38 4.49 0.00 2.04 1.97 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.55 0.00 66 I 8.05 4.51 1.87 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 1.30 0.88 0.91 0.00 0.00 67 L 8.46 4.71 0.00 1.54 1.51 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 68 A 8.38 4.30 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