NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3897 8.3001 120.3529 55.7035 33.3647 174.1869 2 A 4.6806 8.0572 125.4274 52.5245 21.8661 173.2899 3 T 4.5727 9.1827 116.0145 64.0744 76.4400 172.8414 4 I 4.1340 7.3247 117.0826 61.1138 44.4735 176.6766 5 K 3.9122 8.2946 120.7297 59.9784 31.5115 177.5715 6 D 4.4040 8.3943 118.2630 58.1883 40.7799 179.0754 7 V 3.6233 7.9459 117.5737 65.7243 31.6742 178.0641 8 A 4.0143 8.1688 120.8798 55.1262 18.0107 179.6680 9 K 4.0309 8.1580 115.9836 58.9352 32.3002 179.4436 10 R 3.9947 7.8172 118.2677 59.1906 30.1706 178.0940 11 A 4.1450 8.2387 119.3895 55.8641 19.2524 176.3502 12 N 4.9979 8.0266 115.8555 53.2684 40.1453 175.4121 13 V 4.0109 8.4357 119.6039 65.4054 32.8388 175.5723 14 S 4.5539 7.3069 111.5764 56.2353 65.3382 174.3772 15 T 3.8831 8.4136 117.7386 66.2962 67.7765 176.7075 16 T 3.7882 7.9066 117.8461 67.2306 68.2662 176.3061 17 T 3.6598 7.2486 115.8515 66.2647 68.7356 176.8081 18 V 3.5714 7.4532 120.1450 65.9045 31.6300 178.0484 19 S 4.1449 8.3470 114.4617 61.8172 62.7813 175.9273 20 H 4.3341 7.9603 119.4183 58.9892 28.1907 177.8276 21 V 3.6745 7.4196 118.5248 65.8299 31.3921 177.5168 22 I 4.0775 7.5051 118.3411 64.5636 37.1509 177.0567 23 N 4.5320 8.5051 115.6273 53.1973 37.5650 174.9210 24 K 4.0700 7.7250 117.1953 57.8801 30.2844 176.5667 25 T 4.1646 8.5651 114.9916 64.2895 68.0298 174.8497 26 R 4.5433 7.4581 118.1123 53.7164 30.4363 173.6606 27 F 4.0217 8.2247 119.0017 58.2665 39.7510 174.9836 28 V 3.7246 7.5962 127.7889 61.9519 32.8874 175.6033 29 A 4.2071 7.9924 123.8257 51.8101 17.4795 179.3269 30 E 3.9464 7.5297 125.5182 58.0568 29.3408 177.1264 31 E 3.8911 8.1161 118.3200 60.2278 29.4250 179.5863 32 T 3.7362 7.6352 114.5578 66.4810 68.6008 176.4081 33 R 3.6178 7.7502 120.0347 59.5920 30.0393 178.0968 34 N 4.4422 8.5584 116.1484 56.3339 38.5318 177.1766 35 A 3.9568 8.1235 122.2745 55.1901 18.3286 179.7739 36 V 3.3331 7.9321 116.8879 66.0236 31.2595 178.2592 37 W 4.5704 7.7530 118.3665 59.7135 28.8087 178.5061 38 A 4.0462 8.5481 120.8110 55.2287 17.8646 179.4681 39 A 3.8858 8.2903 119.6314 55.3117 18.4011 179.6582 40 I 3.2843 7.9952 118.5652 64.6644 37.0228 178.7540 41 K 4.0871 7.5938 117.2449 58.9801 32.0570 178.7586 42 E 4.0456 8.2803 119.2370 59.4619 29.6898 178.7066 43 L 4.0622 7.9435 118.0355 55.5423 41.8545 173.4028 44 H 4.1501 7.9852 126.6114 55.8245 31.4011 175.1448 45 Y 4.7199 8.3788 127.0195 54.7268 36.4590 175.4451 46 S 4.1196 8.1705 115.0372 59.0841 62.9978 172.8728 47 P 4.4287 0.0000 0.0000 65.3662 31.3879 176.7942 48 S 4.3805 7.3239 111.3653 57.8108 66.8360 171.6236 49 A 3.6271 8.7285 131.2121 51.8240 14.8343 177.4187 50 V 3.7547 8.2071 120.5311 64.9335 31.6427 178.1249 51 A 4.1226 7.6707 122.8005 53.7288 19.3501 178.1903 52 R 4.1956 7.0523 118.7788 55.8507 33.6409 175.9823 53 S 4.4171 8.6052 109.4432 57.8632 64.4236 174.9470 54 L 4.4003 8.5924 124.0999 54.9750 43.2943 176.5214 55 K 3.5792 8.5517 119.6099 57.3479 31.4959 175.5400 56 V 4.0464 8.1354 108.9702 61.7945 32.6076 174.5657 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 4.39 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.55 0.00 2 A 8.06 4.68 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.18 4.57 4.14 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 1.07 0.00 0.00 4 I 7.32 4.13 1.64 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.42 0.85 0.00 0.00 5 K 8.29 3.91 0.00 1.86 1.82 0.00 1.80 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.53 1.55 7.81 6 D 8.39 4.40 0.00 2.98 2.73 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 7 V 7.95 3.62 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 0.76 0.00 0.00 0.20 0.00 0.00 8 A 8.17 4.01 1.43 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 0.00 0.00 9 K 8.16 4.03 0.00 1.81 1.87 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.59 7.81 10 R 7.82 3.99 0.00 1.89 1.90 0.00 3.28 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 11 A 8.24 4.15 1.27 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 0.00 0.00 0.00 12 N 8.03 5.00 0.00 2.70 2.53 0.00 0.00 6.88 8.65 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 13 V 8.44 4.01 2.05 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 0.72 0.00 0.00 0.91 0.00 0.00 14 S 7.31 4.55 0.00 3.82 3.62 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.41 3.88 4.21 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 1.18 0.00 0.00 16 T 7.91 3.79 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 1.17 0.00 0.00 17 T 7.25 3.66 4.14 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 1.17 0.00 0.00 18 V 7.45 3.57 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 0.92 0.00 0.00 0.91 0.00 0.00 19 S 8.35 4.14 0.00 4.07 4.09 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 20 H 7.96 4.33 0.00 3.33 3.38 0.00 5.63 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.42 3.67 1.94 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 0.73 0.00 0.00 0.80 0.00 0.00 22 I 7.51 4.08 2.06 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.78 1.04 0.00 0.00 23 N 8.51 4.53 0.00 2.83 2.99 0.00 0.00 7.23 6.83 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 24 K 7.73 4.07 0.00 2.01 2.01 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.15 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.58 1.76 7.81 25 T 8.57 4.16 4.33 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 1.19 0.00 0.00 26 R 7.46 4.54 0.00 1.60 1.75 0.00 2.92 0.00 0.00 3.06 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.48 0.00 27 F 8.22 4.02 0.00 2.99 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 28 V 7.60 3.72 1.82 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 0.68 0.00 0.00 0.85 0.00 0.00 29 A 7.99 4.21 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 30 E 7.53 3.95 0.00 2.21 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.38 0.00 31 E 8.12 3.89 0.00 1.90 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 0.00 2.31 2.52 0.00 32 T 7.64 3.74 4.09 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 1.13 0.00 0.00 33 R 7.75 3.62 0.00 1.75 2.04 0.00 3.44 0.00 0.00 3.70 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.02 0.00 34 N 8.56 4.44 0.00 2.91 2.90 0.00 0.00 7.10 7.50 0.00 0.00 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 A 8.12 3.96 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 36 V 7.93 3.33 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 0.40 0.00 0.00 0.73 0.00 0.00 37 W 7.75 4.57 0.00 3.41 3.12 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 38 A 8.55 4.05 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.29 3.89 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.00 3.28 2.25 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.57 1.12 0.00 0.00 41 K 7.59 4.09 0.00 1.77 1.89 0.00 1.76 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.66 7.81 42 E 8.28 4.05 0.00 2.01 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 2.30 2.34 0.00 43 L 7.94 4.06 0.00 1.52 1.53 0.88 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 44 H 7.99 4.15 0.00 3.38 3.33 0.00 5.97 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Y 8.38 4.72 0.00 2.89 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 46 S 8.17 4.12 0.00 3.96 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 47 P 0.00 4.43 0.00 2.16 2.05 0.00 3.80 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.86 0.00 48 S 7.32 4.38 0.00 3.80 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 49 A 8.73 3.63 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.21 3.75 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 0.85 0.00 0.00 1.04 0.00 0.00 51 A 7.67 4.12 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 52 R 7.05 4.20 0.00 1.74 1.65 0.00 3.28 0.00 0.00 3.28 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 53 S 8.61 4.42 0.00 3.97 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 54 L 8.59 4.40 0.00 1.73 1.63 0.92 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 55 K 8.55 3.58 0.00 1.86 1.73 0.00 1.63 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.50 7.81 56 V 8.14 4.05 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 0.81 0.00 0.00 0.93 0.00 0.00