NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6024 8.3049 120.2635 55.6181 33.8814 173.6492 2 L 4.3284 7.9805 116.8535 53.7401 46.3843 172.7168 3 E 4.9225 8.3973 118.6347 55.4934 32.5901 175.8873 4 G 4.3198 8.3467 106.9156 45.9825 0.0000 172.3029 5 K 5.3938 8.1632 118.4009 54.2965 36.5612 176.0096 6 V 3.9961 8.6075 123.1184 60.8787 32.2567 176.2480 7 K 4.1173 8.9356 128.8210 58.4492 32.2071 176.3217 8 W 5.0159 7.6540 114.0741 55.9209 31.2031 172.1420 9 F 4.6514 8.7705 121.7057 56.8055 42.3449 173.8719 10 N 4.7269 7.9467 125.4951 51.5435 37.8273 175.0071 11 S 4.0369 8.5443 119.7428 61.0677 62.7514 176.1985 12 E 3.8860 7.5651 119.3000 58.9126 29.4753 177.3999 13 K 4.0374 8.7162 120.2926 55.9964 32.9694 176.9482 14 G 3.6290 8.1693 106.7655 46.6871 0.0000 172.8520 15 F 5.0468 5.8966 111.7194 55.3236 41.6386 173.8239 16 G 3.0151 7.2184 103.1870 46.4113 0.0000 172.0199 17 F 4.9272 8.2813 118.9074 56.0705 44.2349 173.7818 18 I 4.7856 8.7161 124.0341 59.5835 39.2258 174.7099 19 E 4.9035 8.6757 125.9579 55.1947 31.3798 175.6839 20 V 4.5159 8.2981 122.6103 61.4154 34.5315 175.4317 21 E 4.2657 8.6806 121.9182 59.9342 28.7819 174.6983 22 G 4.2591 8.8962 116.2070 45.3898 0.0000 172.6351 23 Q 4.4682 7.1039 114.4040 54.5103 30.8501 174.5476 24 D 4.8864 8.2262 117.8594 52.9998 42.5946 176.0277 25 D 4.8098 8.5370 119.9671 55.6567 41.4873 176.7815 26 V 4.5924 8.7687 115.3270 59.4989 34.8906 174.6902 27 F 4.1231 8.7963 126.9829 57.7920 40.5504 174.8261 28 V 4.5217 7.4046 118.8608 60.0368 34.4568 174.3211 29 H 5.1702 8.2808 121.2451 54.0109 33.0794 174.1071 30 F 4.2349 9.0788 119.4379 60.2296 37.4915 177.3142 31 S 4.0709 6.5626 111.6676 59.0137 62.9059 174.1123 32 A 4.3280 8.2241 124.5539 52.4422 19.3823 176.9170 33 I 4.2554 7.9226 118.3451 60.5874 37.3933 175.7792 34 Q 4.4359 9.6928 125.7655 54.3599 30.3424 176.7263 35 G 3.9343 7.4907 109.2757 46.1314 0.0000 172.1974 36 E 4.5879 8.5006 116.9449 54.9773 33.6565 170.3535 37 G 4.0688 8.8986 108.2829 42.7046 0.0000 173.2977 38 F 4.3140 8.5710 121.8076 58.0452 39.7379 175.6923 39 K 4.1469 7.5622 127.4686 55.5047 30.5869 175.7032 40 T 4.8684 7.5809 115.6698 60.3855 70.5440 172.7426 41 L 4.6044 7.7270 125.6473 52.6285 44.0599 176.4845 42 E 4.3147 9.2847 123.1948 55.5116 30.2630 176.5785 43 E 4.0465 8.5106 120.1596 57.6357 30.2324 177.1097 44 G 4.0575 9.2440 109.8976 45.5317 0.0000 174.2335 45 Q 4.1713 7.5833 117.3457 56.0229 30.1493 175.7646 46 A 4.9941 8.5210 124.1670 50.9053 19.3372 176.5506 47 V 4.5782 8.6644 114.8169 60.7793 34.5571 175.3363 48 S 5.7812 8.4520 117.4040 56.5648 65.8506 173.4834 49 F 5.3622 7.4307 115.3138 56.4001 40.9933 172.4466 50 E 5.0120 9.7468 116.3328 55.3331 34.1706 174.6442 51 I 5.0434 8.4398 121.6444 59.6358 40.1966 175.2264 52 V 4.6598 8.8888 125.9736 61.1146 34.5157 174.0478 53 E 5.0490 8.1633 123.6626 55.1288 32.6139 175.1626 54 G 3.8926 8.2509 110.4428 44.7026 0.0000 173.5351 55 N 4.3105 8.9111 116.7802 56.0854 37.4159 176.4277 56 R 3.9047 7.7931 114.7419 56.6368 29.9483 176.6655 57 G 3.9527 8.1266 105.2106 43.5172 0.0000 171.0370 58 P 4.7220 0.0000 0.0000 63.1549 31.9464 175.6681 59 Q 4.7360 9.1865 122.4801 54.7440 32.8749 173.4354 60 A 4.8433 8.5577 127.3542 52.1587 19.4371 176.4381 61 A 4.5977 9.2612 121.2658 50.1291 23.6521 175.5138 62 N 4.4787 8.8156 111.9932 52.9827 36.4145 175.4418 63 V 3.7398 7.6603 118.2177 63.5820 31.0988 175.1837 64 T 4.6758 8.3543 126.1590 61.6410 68.4302 175.7793 65 K 3.6940 8.9600 131.1069 59.6390 32.3361 176.0928 66 E 4.9871 7.3964 120.3339 54.0437 29.5072 178.2060 67 A 4.1721 7.3827 128.1490 52.6815 19.0491 176.7315 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 4.60 0.00 1.83 2.05 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.49 0.00 2 L 7.98 4.33 0.00 0.31 0.92 0.65 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 3 E 8.40 4.92 0.00 1.74 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 0.00 2.15 1.86 0.00 4 G 8.35 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 0.00 0.00 0.00 0.00 5 K 8.16 5.39 0.00 1.85 1.70 0.00 1.69 0.00 0.00 1.86 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.37 7.81 6 V 8.61 4.00 1.95 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 0.81 0.00 0.00 0.80 0.00 0.00 7 K 8.94 4.12 0.00 1.90 2.22 0.00 2.20 0.00 0.00 1.99 0.00 0.00 3.15 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.94 1.63 7.81 8 W 7.65 5.02 0.00 3.54 3.15 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 0.00 9 F 8.77 4.65 0.00 2.71 2.87 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.95 4.73 0.00 2.54 1.91 0.00 0.00 6.85 7.55 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 11 S 8.54 4.04 0.00 4.11 4.10 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 12 E 7.57 3.89 0.00 2.08 1.93 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 2.28 2.33 0.00 13 K 8.72 4.04 0.00 1.62 1.33 0.00 1.85 0.00 0.00 1.76 0.00 0.00 3.16 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.62 1.55 7.81 14 G 8.17 3.63 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 0.00 0.00 0.00 15 F 5.90 5.05 0.00 2.22 2.90 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 16 G 7.22 3.02 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 0.00 0.00 0.00 17 F 8.28 4.93 0.00 2.77 2.87 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.72 4.79 1.52 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.36 0.88 0.00 0.00 19 E 8.68 4.90 0.00 2.05 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 0.00 2.31 2.31 0.00 20 V 8.30 4.52 2.20 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 1.16 0.00 0.00 1.28 0.00 0.00 21 E 8.68 4.27 0.00 2.03 1.79 0.00 0.00 0.00 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 1.88 0.00 22 G 8.90 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 0.00 0.00 0.00 0.00 23 Q 7.10 4.47 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.72 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 24 D 8.23 4.89 0.00 2.70 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 25 D 8.54 4.81 0.00 2.64 2.84 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 0.00 0.00 0.00 26 V 8.77 4.59 1.97 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 0.79 0.00 0.00 0.88 0.00 0.00 27 F 8.80 4.12 0.00 2.81 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 28 V 7.40 4.52 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 0.59 0.00 0.00 29 H 8.28 5.17 0.00 3.25 3.05 0.00 5.71 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 F 9.08 4.23 0.00 3.31 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 31 S 6.56 4.07 0.00 3.79 3.45 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.22 4.33 1.33 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 0.00 0.00 0.00 33 I 7.92 4.26 1.86 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.54 0.80 0.00 0.00 34 Q 9.69 4.44 0.00 2.27 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.88 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 35 G 7.49 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 36 E 8.50 4.59 0.00 1.94 1.65 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 2.12 1.87 0.00 37 G 8.90 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 0.00 0.00 0.00 38 F 8.57 4.31 0.00 2.87 2.96 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 39 K 7.56 4.15 0.00 1.53 1.72 0.00 1.86 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.37 1.35 7.81 40 T 7.58 4.87 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 1.36 0.00 0.00 41 L 7.73 4.60 0.00 0.65 1.18 0.32 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 42 E 9.28 4.31 0.00 2.19 1.88 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 2.35 2.32 0.00 43 E 8.51 4.05 0.00 2.34 2.09 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 2.35 2.37 0.00 44 G 9.24 4.06 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 0.00 0.00 0.00 45 Q 7.58 4.17 0.00 2.16 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.73 0.00 0.00 0.00 0.00 0.00 2.36 2.31 0.00 46 A 8.52 4.99 1.24 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 0.00 0.00 0.00 47 V 8.66 4.58 2.15 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 0.70 0.00 0.00 1.06 0.00 0.00 48 S 8.45 5.78 0.00 4.01 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 49 F 7.43 5.36 0.00 3.24 3.13 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 50 E 9.75 5.01 0.00 1.98 1.85 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 2.19 2.25 0.00 51 I 8.44 5.04 1.95 0.00 0.00 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 1.43 0.97 0.98 0.00 0.00 52 V 8.89 4.66 2.09 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 1.05 0.00 0.00 0.98 0.00 0.00 53 E 8.16 5.05 0.00 2.00 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 2.18 2.16 0.00 54 G 8.25 3.89 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 0.00 0.00 0.00 55 N 8.91 4.31 0.00 2.81 2.95 0.00 0.00 5.90 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 56 R 7.79 3.90 0.00 1.73 1.88 0.00 3.08 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 57 G 8.13 3.95 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 0.00 0.00 0.00 58 P 0.00 4.72 0.00 2.13 2.10 0.00 3.78 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 2.01 1.99 0.00 59 Q 9.19 4.74 0.00 2.04 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.01 0.00 0.00 0.00 0.00 0.00 2.30 2.47 0.00 60 A 8.56 4.84 0.96 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 61 A 9.26 4.60 1.21 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 62 N 8.82 4.48 0.00 2.89 2.92 0.00 0.00 7.23 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 63 V 7.66 3.74 1.99 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 0.87 0.00 0.00 0.81 0.00 0.00 64 T 8.35 4.68 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 1.23 0.00 0.00 65 K 8.96 3.69 0.00 1.64 1.82 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.40 1.39 7.81 66 E 7.40 4.99 0.00 2.13 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 2.01 1.60 0.00 67 A 7.38 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00