NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8140 8.3549 109.7355 45.5840 0.0000 173.7177 2 S 3.8722 7.8776 126.3403 55.4870 62.5160 172.0734 3 S 3.9054 8.4970 121.8825 59.6294 62.8838 174.6473 4 G 4.8538 7.5531 126.7909 45.8263 0.0000 170.2712 5 S 4.7800 7.9895 121.2995 56.2931 67.0892 174.3994 6 S 4.0497 8.2010 113.3196 57.5856 64.6084 174.4226 7 G 3.5974 7.5518 101.7445 46.5902 0.0000 172.5653 8 F 4.6890 7.7369 124.5867 55.4949 40.5641 176.0346 9 K 4.1643 8.4930 121.4083 57.4008 32.7913 176.9539 10 R 4.5963 8.3042 120.3959 55.0593 33.9648 174.6077 11 K 4.2278 8.7905 121.8726 58.4175 33.9047 177.3571 12 A 4.0980 7.8411 121.4217 52.1971 19.0983 176.9994 13 N 4.8860 8.3936 119.2762 52.6963 39.6163 177.3587 14 K 3.8054 8.2199 121.1330 59.9373 32.2727 176.2188 15 E 3.8136 8.2263 118.0196 59.6638 29.3157 178.9991 16 L 3.7468 7.7963 118.5271 58.1552 41.6564 179.4739 17 E 3.9086 7.8694 117.4633 59.8979 29.4060 179.0760 18 E 3.9152 7.8962 118.2861 58.8628 29.5055 178.9588 19 K 3.1112 7.9366 118.8530 60.1121 31.8327 178.7706 20 N 4.2414 8.2402 117.6750 56.1182 38.4684 177.1560 21 R 3.9020 8.2089 120.2527 59.7998 30.1466 178.2748 22 M 4.0593 8.5023 118.6094 58.5025 31.7957 178.3760 23 L 4.1131 7.4935 117.4723 58.3987 41.9677 179.1620 24 Q 4.1883 7.6081 115.7150 59.6520 28.8190 179.0374 25 E 4.2685 8.0218 118.2441 58.0568 30.7732 177.9449 26 D 4.9142 8.4371 120.8165 51.9711 39.5028 174.9586 27 P 4.5154 0.0000 0.0000 65.1796 31.6259 178.4349 28 V 3.8155 7.7728 118.2335 65.7054 31.7299 177.4492 29 L 4.0944 8.0124 119.7195 57.9511 41.9657 178.3024 30 F 3.8088 7.9700 119.3822 61.4971 39.1769 176.5799 31 Q 4.0893 7.9372 117.8485 59.5380 28.6875 178.9722 32 L 3.9774 7.9427 119.1622 58.1854 41.8167 178.6320 33 Y 2.5774 7.8170 118.7669 60.5813 38.2098 178.0892 34 K 3.9870 8.3361 119.4217 58.8594 32.1568 178.5707 35 D 4.5647 8.2330 119.3002 57.1781 41.3618 178.2928 36 L 4.3139 7.5954 118.5439 56.7122 42.3997 178.9680 37 V 3.4212 7.5150 118.0204 66.0387 31.3542 178.3630 38 V 3.6000 7.6833 116.6450 65.0374 31.4264 176.1932 39 S 4.4072 7.7561 112.0172 57.8808 62.3678 173.2736 40 Q 3.5222 7.9885 116.7521 57.7529 26.6333 174.9686 41 V 3.9240 7.7438 119.1435 64.2547 32.1045 175.3062 42 I 4.6992 7.1361 109.6849 59.2115 40.9401 173.8248 43 S 4.6275 8.2209 115.4102 56.8392 64.4185 175.2064 44 A 3.9395 8.7948 126.2478 55.8278 17.8945 179.9427 45 E 4.1309 8.3755 116.1695 59.6198 29.4209 179.0909 46 E 3.9221 8.4233 119.3348 59.6194 29.7757 177.9567 47 F 3.8673 8.3903 119.5639 61.9604 39.1159 177.0319 48 W 4.2333 8.4926 117.6262 59.7747 28.7917 178.5487 49 A 4.0182 8.1236 120.4020 55.3463 17.9338 178.9099 50 N 4.4759 7.6497 113.0027 55.6730 39.1267 177.2882 51 R 3.8932 7.3046 119.2608 58.6842 31.4524 177.1936 52 L 4.4644 7.6883 119.5553 53.7108 40.2090 175.9538 53 N 4.5833 8.0739 118.6554 55.0037 39.5951 176.7249 54 V 4.0827 7.4808 113.8038 63.4480 33.9050 173.5817 55 N 4.1378 8.1738 117.8822 53.8205 38.2812 173.3906 56 S 4.7678 8.3756 120.3723 56.6320 67.0431 173.7979 57 G 4.1202 8.2947 110.9978 42.9964 0.0000 171.9546 58 P 4.4517 0.0000 0.0000 62.3287 32.1667 175.7421 59 S 4.5980 8.1666 115.2723 57.8111 64.3360 174.7537 60 S 4.4146 8.5760 116.5383 60.4145 63.4059 175.0500 61 G 3.7393 7.8659 111.8853 45.5770 0.0000 173.1685 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 G 8.35 3.81 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 0.00 0.00 0.00 2 S 7.88 3.87 0.00 3.95 3.87 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 3 S 8.50 3.91 0.00 3.96 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 4 G 7.55 4.85 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 5 S 7.99 4.78 0.00 3.75 3.64 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 6 S 8.20 4.05 0.00 3.22 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 7 G 7.55 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.74 4.69 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 9 K 8.49 4.16 0.00 1.90 1.87 0.00 1.58 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.51 7.81 10 R 8.30 4.60 0.00 1.79 1.85 0.00 3.22 0.00 0.00 3.33 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.68 0.00 11 K 8.79 4.23 0.00 1.86 1.93 0.00 1.58 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.42 7.81 12 A 7.84 4.10 1.25 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 0.00 0.00 13 N 8.39 4.89 0.00 2.81 2.78 0.00 0.00 6.68 7.64 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 14 K 8.22 3.81 0.00 1.75 1.82 0.00 1.89 0.00 0.00 1.77 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.50 7.81 15 E 8.23 3.81 0.00 2.00 1.86 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 2.36 2.42 0.00 16 L 7.80 3.75 0.00 1.82 1.67 0.88 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 17 E 7.87 3.91 0.00 2.22 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 2.30 2.32 0.00 18 E 7.90 3.92 0.00 1.86 1.84 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 2.32 2.43 0.00 19 K 7.94 3.11 0.00 0.79 0.74 0.00 1.00 0.00 0.00 0.83 0.00 0.00 2.17 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.20 1.05 7.81 20 N 8.24 4.24 0.00 2.91 2.86 0.00 0.00 6.49 7.16 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 21 R 8.21 3.90 0.00 1.93 1.91 0.00 3.09 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 22 M 8.50 4.06 0.00 2.17 2.34 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.62 0.00 23 L 7.49 4.11 0.00 1.91 2.06 0.70 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 24 Q 7.61 4.19 0.00 2.24 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.00 0.00 0.00 0.00 0.00 0.00 2.60 2.60 0.00 25 E 8.02 4.27 0.00 2.06 2.06 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 2.37 2.38 0.00 26 D 8.44 4.91 0.00 2.97 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.52 0.00 2.24 2.21 0.00 3.82 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.04 0.00 28 V 7.77 3.82 2.13 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 1.15 0.00 0.00 0.97 0.00 0.00 29 L 8.01 4.09 0.00 1.89 1.93 1.03 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 30 F 7.97 3.81 0.00 3.22 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 31 Q 7.94 4.09 0.00 2.30 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.61 0.00 0.00 0.00 0.00 0.00 2.40 2.52 0.00 32 L 7.94 3.98 0.00 2.13 1.91 0.97 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 33 Y 7.82 2.58 0.00 1.43 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 0.00 0.00 0.00 34 K 8.34 3.99 0.00 2.14 1.87 0.00 1.93 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.83 2.10 7.81 35 D 8.23 4.56 0.00 2.77 2.74 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 36 L 7.60 4.31 0.00 1.56 1.59 1.08 0.77 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 37 V 7.51 3.42 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 0.72 0.00 0.00 -0.22 0.00 0.00 38 V 7.68 3.60 2.13 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 0.78 0.00 0.00 1.01 0.00 0.00 39 S 7.76 4.41 0.00 3.92 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 40 Q 7.99 3.52 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.60 0.00 0.00 0.00 0.00 0.00 2.27 2.40 0.00 41 V 7.74 3.92 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 0.72 0.00 0.00 0.90 0.00 0.00 42 I 7.14 4.70 1.95 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.72 0.96 0.00 0.00 43 S 8.22 4.63 0.00 3.91 3.82 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 44 A 8.79 3.94 1.56 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 0.00 0.00 0.00 0.00 0.00 0.00 45 E 8.38 4.13 0.00 2.06 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 0.00 2.49 2.38 0.00 46 E 8.42 3.92 0.00 2.04 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 2.30 2.32 0.00 47 F 8.39 3.87 0.00 2.87 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 48 W 8.49 4.23 0.00 3.50 3.22 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 49 A 8.12 4.02 1.45 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 0.00 0.00 50 N 7.65 4.48 0.00 2.49 2.80 0.00 0.00 6.98 7.80 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 51 R 7.30 3.89 0.00 1.50 2.20 0.00 3.82 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.45 0.00 52 L 7.69 4.46 0.00 1.71 1.65 1.23 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 53 N 8.07 4.58 0.00 2.68 2.86 0.00 0.00 6.91 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 54 V 7.48 4.08 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 0.76 0.00 0.00 0.93 0.00 0.00 55 N 8.17 4.14 0.00 2.74 2.83 0.00 0.00 6.75 7.65 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 56 S 8.38 4.77 0.00 3.84 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 G 8.29 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 58 P 0.00 4.45 0.00 2.19 2.09 0.00 3.75 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 59 S 8.17 4.60 0.00 3.88 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 60 S 8.58 4.41 0.00 3.84 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 61 G 7.87 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