NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 W 5.0935 8.2593 130.5481 55.6960 32.8461 173.5990 2 C 4.5647 7.8757 111.4733 51.5947 43.5982 172.6841 3 S 4.2248 8.1467 121.0114 60.3783 65.2515 176.3470 4 T 4.4081 7.2838 113.4560 59.2815 67.4787 172.3988 5 C 5.1704 7.7509 116.7433 54.0966 44.3188 175.0483 6 L 4.3250 8.1284 124.5631 54.0644 42.4537 175.9439 7 D 4.7234 8.3958 116.5905 54.1508 41.5676 175.5155 8 L 4.5503 7.4583 117.9199 53.3878 43.2358 175.9668 9 A 5.1916 8.5309 124.7936 51.5494 19.3606 177.5302 10 C 4.6396 8.2619 115.1900 54.6610 43.7797 171.5504 11 G 3.1435 8.0896 108.7045 46.1813 0.0000 174.0149 12 A 4.3346 7.9554 123.8456 50.1658 21.0856 176.2739 13 S 4.1578 9.0742 118.3219 62.3817 62.2259 176.4845 14 R 3.8792 7.9207 120.6321 59.2840 29.7654 177.6656 15 E 3.9704 7.8939 117.9083 59.7933 29.8415 177.9177 16 C 4.5340 8.2067 115.0988 59.2878 37.8367 175.1499 17 Y 3.7960 8.1987 121.6317 60.3962 38.2781 177.5665 18 D 4.6748 8.2737 119.9794 56.8326 40.9496 176.8358 19 P 4.0812 0.0000 0.0000 66.2279 31.3262 178.6737 20 C 3.5605 8.4560 119.7512 58.7735 43.7602 175.2246 21 F 4.4773 7.8153 121.3648 60.3848 39.0454 177.4400 22 K 3.6340 7.6375 116.4279 57.9082 31.9832 178.7710 23 A 3.9462 8.2971 121.6719 54.5697 18.9570 178.9379 24 F 4.6559 7.0765 113.2614 59.1667 39.5825 176.9693 25 G 4.6579 8.3076 105.0678 45.3763 0.0000 173.7096 26 R 4.4463 7.8761 117.8294 54.2358 33.0399 176.6685 27 A 4.0401 7.9453 128.6419 51.5789 16.8300 177.4684 28 H 4.6567 7.5305 120.5769 53.8846 31.5848 171.6435 29 G 4.6688 8.1354 113.0661 45.7885 0.0000 168.7778 30 K 4.7927 8.8116 118.4804 55.4812 37.5020 174.5055 31 C 5.1127 8.7782 121.3130 55.7681 38.7238 172.5984 32 M 4.6172 9.5980 127.9424 54.5074 34.0910 174.9940 33 N 4.4305 9.2974 125.1603 55.3468 37.1807 173.5123 34 N 4.3367 8.3002 110.3239 53.8495 36.8671 174.0523 35 K 5.1709 7.6613 116.2216 54.7506 36.8740 174.8004 36 C 5.2016 8.7495 120.7676 56.7333 42.8206 172.6391 37 R 4.8526 9.6790 125.2067 54.7856 32.0279 174.2949 38 C 5.2210 8.7837 124.1210 56.6557 41.5562 172.5467 39 Y 4.9194 7.6909 117.7412 55.4717 41.2339 175.5455 40 T 4.0241 8.2887 108.9912 61.8751 69.0682 173.7302 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 W 8.26 5.09 0.00 3.24 3.17 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 0.00 0.00 0.00 0.00 2 C 7.88 4.56 0.00 2.66 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 0.00 0.00 0.00 0.00 3 S 8.15 4.22 0.00 3.96 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 4 T 7.28 4.41 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 5 C 7.75 5.17 0.00 2.78 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 6 L 8.13 4.32 0.00 1.63 1.62 0.91 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 7 D 8.40 4.72 0.00 2.60 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 7.46 4.55 0.00 1.75 1.56 0.91 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 9 A 8.53 5.19 1.30 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 10 C 8.26 4.64 0.00 3.13 3.18 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 0.00 0.00 0.00 0.00 11 G 8.09 3.14 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 A 7.96 4.33 1.28 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 0.00 0.00 0.00 13 S 9.07 4.16 0.00 3.93 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 14 R 7.92 3.88 0.00 1.88 1.90 0.00 3.23 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.54 0.00 15 E 7.89 3.97 0.00 2.05 2.12 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 2.36 2.40 0.00 16 C 8.21 4.53 0.00 3.08 3.17 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 0.00 0.00 0.00 0.00 17 Y 8.20 3.80 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 18 D 8.27 4.67 0.00 2.99 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 19 P 0.00 4.08 0.00 2.20 2.26 0.00 3.84 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.05 0.00 20 C 8.46 3.56 0.00 3.07 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 21 F 7.82 4.48 0.00 2.48 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 22 K 7.64 3.63 0.00 1.84 1.66 0.00 1.60 0.00 0.00 1.60 0.00 0.00 3.00 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.25 1.03 7.81 23 A 8.30 3.95 0.73 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 24 F 7.08 4.66 0.00 3.29 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 25 G 8.31 4.66 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 0.00 0.00 0.00 26 R 7.88 4.45 0.00 1.69 1.74 0.00 3.15 0.00 0.00 3.19 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 27 A 7.95 4.04 0.16 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 0.00 0.00 28 H 7.53 4.66 0.00 2.94 2.53 0.00 5.71 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.14 4.67 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 0.00 0.00 0.00 30 K 8.81 4.79 0.00 1.73 1.73 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.79 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.46 7.81 31 C 8.78 5.11 0.00 3.01 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 32 M 9.60 4.62 0.00 1.88 1.88 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.47 0.00 33 N 9.30 4.43 0.00 3.02 3.00 0.00 0.00 7.72 7.97 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 34 N 8.30 4.34 0.00 3.03 2.90 0.00 0.00 6.77 7.27 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 35 K 7.66 5.17 0.00 1.88 1.64 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.72 7.81 36 C 8.75 5.20 0.00 2.96 3.05 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 0.00 0.00 0.00 0.00 37 R 9.68 4.85 0.00 1.69 1.76 0.00 3.02 0.00 0.00 3.15 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 38 C 8.78 5.22 0.00 2.75 2.91 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 39 Y 7.69 4.92 0.00 2.84 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 40 T 8.29 4.02 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00