NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.2822 8.1744 117.3758 63.4820 69.9257 172.6863 3 S 4.6011 8.0490 118.1707 56.1718 65.5412 171.5043 4 Y 4.7465 8.3873 122.8662 56.4151 42.1006 174.4944 5 T 4.7878 8.5093 113.8514 59.7051 71.8540 172.9993 6 L 4.7874 8.2836 124.1426 53.5888 45.3132 175.0592 7 N 5.1163 8.5132 121.4734 51.7397 42.3664 173.6790 8 E 4.6524 8.3681 120.0175 55.1448 33.6098 174.9359 9 V 3.8051 8.3193 122.9690 62.2483 31.7957 175.7573 10 V 4.3383 8.1719 127.1130 60.3326 32.5535 173.3857 11 P 4.6179 0.0000 0.0000 61.3844 29.9178 176.6503 12 L 4.0550 8.4109 127.8461 58.6009 41.4388 178.4814 13 K 3.8526 8.0083 118.2009 59.5832 32.0422 178.0881 14 E 3.8134 7.9286 118.2724 58.0693 29.3012 177.5370 15 F 4.8240 7.6079 115.2797 57.2001 41.2547 175.5247 16 V 4.5245 7.2870 117.9162 59.9142 33.9978 173.1766 17 P 4.5969 0.0000 0.0000 62.0221 31.9840 176.6642 18 E 4.0217 8.8287 119.1717 58.4335 29.5393 177.8777 19 W 4.7006 8.0617 117.1656 54.7877 31.4368 175.2354 20 V 4.6653 8.2870 114.5119 59.6886 35.1713 174.8433 21 R 4.7131 8.4180 119.7570 54.3389 32.6196 175.6681 22 I 4.4632 7.6029 113.7809 59.0476 40.2444 175.6706 23 G 3.7403 7.2242 107.5092 45.9643 0.0000 172.1310 24 F 4.9799 8.4250 116.9710 55.6154 41.8364 174.7726 25 S 4.7006 8.4384 116.5886 56.6679 65.4334 172.9561 26 A 4.6187 8.1402 127.2239 51.1527 21.8565 175.4834 27 T 4.7672 8.0143 109.5001 60.1257 72.0540 172.9590 28 T 4.9283 8.3484 111.2991 59.9867 72.8948 175.2534 29 G 4.1556 8.1789 111.2142 45.7329 0.0000 175.0681 30 A 4.1742 8.9526 125.6750 54.4417 18.7559 177.9425 31 E 4.4715 7.9352 114.4568 55.3612 31.0945 174.9484 32 F 5.1202 7.3755 114.3805 56.1277 40.9343 172.9304 33 A 4.5292 8.1439 121.8239 51.0865 21.6681 175.6931 34 A 4.3909 8.2581 122.5861 51.6469 19.7401 177.0974 35 H 4.8454 8.6077 117.8733 54.0210 31.3074 173.1894 36 E 4.6660 8.5451 122.9419 54.2890 33.2570 175.1053 37 V 4.1925 8.0564 120.6965 61.1175 33.6753 175.3581 38 L 4.5142 8.2792 125.6703 55.5780 42.8853 176.3499 39 S 4.7565 7.6308 110.2342 57.4004 65.3058 173.7474 40 W 5.4911 8.6169 130.3914 56.5176 33.4594 173.1537 41 Y 4.8216 9.0599 125.9437 55.7284 41.1138 174.1416 42 F 4.5186 7.2627 126.5728 56.8213 42.6571 172.9878 43 H 4.3983 6.8680 124.7521 54.6501 32.6553 172.5628 44 S 4.3657 7.5828 119.3014 56.5175 66.0442 173.0716 45 E 4.2526 8.3087 121.2302 54.6661 31.5946 174.1723 46 L 4.3851 8.3026 128.5785 52.8062 42.9309 175.7625 47 A 4.1486 8.5343 128.1794 52.5719 18.2557 176.7549 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 T 8.17 4.28 4.32 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 1.11 0.00 0.00 3 S 8.05 4.60 0.00 3.80 3.58 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.39 4.75 0.00 2.90 2.80 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 0.00 0.00 0.00 5 T 8.51 4.79 4.27 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 1.24 0.00 0.00 6 L 8.28 4.79 0.00 1.58 1.55 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 7 N 8.51 5.12 0.00 2.68 2.66 0.00 0.00 6.82 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 8 E 8.37 4.65 0.00 1.92 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 2.23 2.23 0.00 9 V 8.32 3.81 2.11 0.00 0.00 0.00 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 0.95 0.00 0.00 10 V 8.17 4.34 2.14 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 1.01 0.00 0.00 0.93 0.00 0.00 11 P 0.00 4.62 0.00 2.20 2.22 0.00 4.18 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.06 0.00 12 L 8.41 4.06 0.00 1.79 1.81 1.06 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.01 3.85 0.00 1.67 1.74 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.49 7.81 14 E 7.93 3.81 0.00 1.16 1.15 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 2.18 2.11 0.00 15 F 7.61 4.82 0.00 3.05 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 16 V 7.29 4.52 2.30 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 0.84 0.00 0.00 1.01 0.00 0.00 17 P 0.00 4.60 0.00 2.36 2.03 0.00 3.78 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.14 0.00 18 E 8.83 4.02 0.00 2.05 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 2.28 2.34 0.00 19 W 8.06 4.70 0.00 3.19 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 20 V 8.29 4.67 2.10 0.00 0.00 0.00 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 0.94 0.00 0.00 21 R 8.42 4.71 0.00 1.77 1.80 0.00 3.16 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 22 I 7.60 4.46 1.69 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.48 0.70 0.00 0.00 23 G 7.22 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.43 4.98 0.00 2.83 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 25 S 8.44 4.70 0.00 3.76 3.66 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 26 A 8.14 4.62 1.01 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 0.00 0.00 27 T 8.01 4.77 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 1.20 0.00 0.00 28 T 8.35 4.93 4.39 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 1.36 0.00 0.00 29 G 8.18 4.16 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 0.00 30 A 8.95 4.17 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 31 E 7.94 4.47 0.00 2.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.22 0.00 32 F 7.38 5.12 0.00 3.03 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 33 A 8.14 4.53 1.09 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 34 A 8.26 4.39 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 35 H 8.61 4.85 0.00 3.04 3.12 0.00 5.65 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 36 E 8.55 4.67 0.00 1.84 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.22 0.00 37 V 8.06 4.19 1.71 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 0.49 0.00 0.00 -0.13 0.00 0.00 38 L 8.28 4.51 0.00 1.64 1.70 0.88 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 39 S 7.63 4.76 0.00 4.06 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 40 W 8.62 5.49 0.00 3.34 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 41 Y 9.06 4.82 0.00 3.02 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 42 F 7.26 4.52 0.00 2.43 2.35 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 43 H 6.87 4.40 0.00 2.84 2.90 0.00 5.73 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 44 S 7.58 4.37 0.00 3.80 3.43 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.31 4.25 0.00 1.82 1.78 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 2.16 2.25 0.00 46 L 8.30 4.39 0.00 1.48 1.44 0.82 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 47 A 8.53 4.15 1.22 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 0.00 0.00 0.00 0.00 0.00 0.00