NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.3836 8.4449 121.4661 55.6827 31.0301 175.4773 4 S 4.2113 9.3538 123.2845 57.8175 63.5090 173.8912 5 L 4.0237 9.5532 125.6925 57.9611 42.5677 177.8564 6 L 4.5245 7.9712 116.0016 54.9674 42.1237 177.4116 7 Y 4.3202 8.4768 122.2467 61.1206 38.5246 178.7614 8 G 3.5677 8.2675 105.8767 47.7218 0.0000 174.6333 9 Y 3.9702 8.0084 121.3893 60.7465 38.7375 178.3712 10 F 4.1448 8.2560 118.6249 60.2177 38.9077 177.5507 11 L 3.6893 7.9465 120.4796 58.0770 41.7862 178.5249 12 D 4.3194 8.2409 118.3607 57.4002 41.1447 178.1812 13 S 3.9719 7.8703 113.7439 60.7789 62.3042 176.0502 14 W 4.2263 8.4147 131.3027 60.6320 30.5661 178.0811 15 L 3.6531 8.1872 119.2854 57.7126 40.6139 179.2406 16 D 4.7327 7.9783 118.2179 55.2462 40.8019 177.6483 17 G 2.8040 7.5675 106.1625 45.0371 0.0000 174.0100 18 T 4.0847 7.5007 110.8163 63.3195 69.4563 175.4686 19 A 4.5186 7.9549 123.8486 51.3533 19.8080 176.7688 20 S 4.7956 8.3487 115.5539 56.2166 67.1395 175.2766 21 E 4.0209 8.5794 120.9351 59.5503 29.1042 179.0738 22 E 3.8905 8.2073 118.7934 59.2863 29.6444 178.5007 23 L 3.9781 7.9725 120.1739 58.2367 42.1572 178.9075 24 L 3.7177 7.9277 118.8923 57.8849 41.4999 179.8195 25 R 3.8722 8.1759 118.0594 58.9423 29.8951 179.3080 26 V 3.5408 7.9799 118.1471 65.9162 31.4939 177.9929 27 A 3.8909 7.9707 120.6061 54.8808 18.0650 179.7707 28 V 4.1803 7.6902 118.1292 65.9462 31.4406 178.0414 29 N 4.3256 8.0422 114.5156 56.2314 38.4444 176.8350 30 A 4.2249 8.0386 120.7389 52.9885 18.6085 178.4937 31 G 3.9009 7.8440 105.1357 45.7198 0.0000 174.2089 32 D 4.6829 8.0901 119.3192 55.4121 41.5981 176.3709 33 L 4.9671 7.3995 117.9676 52.3804 46.0251 175.3017 34 T 4.6489 8.7223 111.6066 60.6076 71.6514 175.7434 35 Q 3.8955 8.4644 122.3845 59.4242 28.9511 178.2328 36 E 3.8932 8.1021 119.7923 59.3153 29.6291 178.5559 37 E 4.0402 8.3233 118.4588 59.3505 29.5695 179.1400 38 A 3.8627 8.1703 120.8969 55.1978 18.1768 179.4249 39 D 4.2123 8.1001 116.7146 57.3024 41.2798 178.8537 40 K 4.1524 8.2332 119.1432 59.6234 32.1465 179.4098 41 I 3.6739 8.0237 120.2655 64.6667 36.7850 178.3156 42 M 3.0448 7.4788 117.8610 57.0699 31.7366 178.3612 43 S 4.2913 7.5504 113.3219 59.8361 63.5574 174.1716 44 Y 4.3796 7.3140 120.1865 56.2836 38.7150 173.2249 45 P 4.5606 0.0000 0.0000 61.9936 31.9647 175.7316 46 W 3.4962 8.8120 134.0856 58.2543 30.9114 175.7927 47 G 3.2960 7.8994 113.2269 45.5416 0.0000 174.2545 48 A 4.0300 7.3064 123.9709 54.0898 18.5095 178.8336 49 W 5.0437 8.1184 116.1077 55.8314 30.2982 176.2401 50 N 4.5061 8.7350 118.6278 52.9908 37.0566 174.7781 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 3 E 8.44 4.38 0.00 1.87 1.92 0.00 0.00 0.00 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 2.39 0.00 4 S 9.35 4.21 0.00 4.14 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.55 4.02 0.00 1.67 1.78 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 6 L 7.97 4.52 0.00 2.00 1.72 0.97 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 8.48 4.32 0.00 3.24 3.10 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 0.00 0.00 0.00 0.00 8 G 8.27 3.57 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 0.00 0.00 0.00 9 Y 8.01 3.97 0.00 2.94 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 10 F 8.26 4.14 0.00 3.08 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 11 L 7.95 3.69 0.00 1.00 1.48 -0.14 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 12 D 8.24 4.32 0.00 2.87 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 7.87 3.97 0.00 3.59 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 14 W 8.41 4.23 0.00 3.56 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 15 L 8.19 3.65 0.00 1.19 0.13 0.35 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 16 D 7.98 4.73 0.00 2.80 2.65 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 17 G 7.57 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 0.00 0.00 0.00 18 T 7.50 4.08 4.25 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 1.16 0.00 0.00 19 A 7.95 4.52 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.35 4.80 0.00 3.99 4.02 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.58 4.02 0.00 2.02 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 2.52 2.48 0.00 22 E 8.21 3.89 0.00 2.02 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 0.00 2.39 2.38 0.00 23 L 7.97 3.98 0.00 1.92 1.91 1.05 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 24 L 7.93 3.72 0.00 1.76 1.52 0.50 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 25 R 8.18 3.87 0.00 1.93 1.94 0.00 3.09 0.00 0.00 3.06 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.77 0.00 26 V 7.98 3.54 2.24 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 1.03 0.00 0.00 1.00 0.00 0.00 27 A 7.97 3.89 0.76 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 28 V 7.69 4.18 2.17 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 1.17 0.00 0.00 0.93 0.00 0.00 29 N 8.04 4.33 0.00 2.90 2.86 0.00 0.00 7.10 6.92 0.00 0.00 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 8.04 4.22 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 31 G 7.84 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 32 D 8.09 4.68 0.00 2.77 2.99 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 33 L 7.40 4.97 0.00 1.53 1.47 0.58 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.72 4.65 4.23 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 1.21 0.00 0.00 35 Q 8.46 3.90 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.94 0.00 0.00 0.00 0.00 0.00 2.40 2.60 0.00 36 E 8.10 3.89 0.00 2.05 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 0.00 2.35 2.38 0.00 37 E 8.32 4.04 0.00 2.34 2.32 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 2.17 2.30 0.00 38 A 8.17 3.86 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 39 D 8.10 4.21 0.00 2.79 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 40 K 8.23 4.15 0.00 2.16 2.08 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.75 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.48 1.71 7.81 41 I 8.02 3.67 1.70 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.96 0.37 0.00 0.00 42 M 7.48 3.04 0.00 1.73 1.84 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.29 0.00 43 S 7.55 4.29 0.00 3.98 4.07 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 0.00 0.00 0.00 44 Y 7.31 4.38 0.00 3.27 3.03 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 45 P 0.00 4.56 0.00 2.24 2.25 0.00 3.91 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.98 0.00 46 W 8.81 3.50 0.00 2.45 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 7.90 3.30 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 48 A 7.31 4.03 1.13 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 0.00 0.00 49 W 8.12 5.04 0.00 3.22 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 50 N 8.73 4.51 0.00 2.79 2.79 0.00 0.00 5.97 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00