NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 V 4.0604 7.9133 120.3955 63.2516 33.2990 177.6280 5 C 4.7145 8.1715 113.5240 55.5776 39.9302 172.2864 6 S 4.6037 8.4426 113.0136 57.3657 64.8155 174.1081 7 E 4.0684 8.1770 120.7256 56.6168 29.7725 176.8756 8 Q 3.9205 8.3265 120.5581 55.3833 29.4210 176.1837 9 A 3.2800 7.7105 123.7436 52.0966 18.1149 176.8769 10 E 4.6530 8.2425 122.9403 55.1473 31.4676 176.8864 11 T 4.2544 8.6262 114.1257 62.6367 69.4639 175.5792 12 G 4.2048 8.4222 108.4312 45.1403 0.0000 171.1055 13 P 4.4279 0.0000 0.0000 64.3479 32.1267 177.5231 14 C 4.5092 7.8404 116.7038 57.1625 40.6988 173.6314 15 R 4.6055 8.2004 118.9331 55.9865 30.4943 176.1622 16 A 4.3204 7.6713 120.6724 51.8469 20.4667 177.3922 17 M 4.5834 8.4530 117.9652 53.8023 34.0139 175.3381 18 I 4.6532 8.6701 124.8361 59.1974 40.7817 175.3241 19 S 4.2418 8.8187 123.2852 58.4895 63.5261 173.6009 20 R 4.8617 8.0920 122.8204 54.4430 35.2027 173.7597 21 W 5.6724 9.9013 119.1507 55.4122 33.0759 174.7201 22 Y 5.5745 9.4739 120.5309 55.1795 41.4899 174.0370 23 F 4.4524 9.9795 124.4281 57.9112 40.1239 174.2403 24 D 4.6315 7.7206 127.5402 52.9225 41.2521 176.5833 25 V 3.8120 8.5527 120.4930 64.9289 31.8609 178.4861 26 T 3.7871 7.8766 114.9315 67.1042 68.2628 175.0590 27 E 4.0559 9.2677 118.5384 56.4198 29.3312 177.6265 28 G 3.9926 7.6820 106.7711 45.4491 0.0000 172.8684 29 K 4.6274 6.8080 116.5822 55.0216 36.7007 174.2809 30 C 4.9538 8.6391 117.5526 56.8941 38.2914 173.2412 31 A 5.0440 8.8106 123.2930 49.5305 22.6095 173.8739 32 P 4.2209 0.0000 0.0000 62.5225 32.4813 175.5085 33 F 4.6612 8.2303 115.4776 56.2888 41.7958 172.5930 34 F 4.9976 8.6463 118.3077 56.1300 40.3061 174.8014 35 Y 4.7965 9.0673 126.0930 56.3051 40.5708 176.2240 36 G 4.2111 8.2662 112.5680 45.9166 0.0000 174.9973 37 G 3.9722 6.8775 108.2647 45.1436 0.0000 172.4635 38 C 5.0604 6.2858 111.9025 53.2140 45.6553 174.5592 39 G 3.9346 9.3483 107.9111 48.5693 0.0000 172.9988 40 G 4.0821 9.8692 110.0661 45.7985 0.0000 171.4538 41 N 4.9632 8.1979 121.1141 51.4480 40.2012 174.9368 42 R 3.8550 8.3361 116.4470 58.5477 30.7268 177.5602 43 N 4.5580 7.7330 117.9182 52.3647 36.8319 175.6640 44 N 4.9089 6.4126 116.4616 52.5197 40.6101 172.7736 45 F 5.2374 9.5171 124.4179 55.3705 42.2441 176.6784 46 D 4.5517 9.3098 122.8835 56.7083 41.6399 177.1723 47 T 4.7498 7.8139 107.8408 58.9653 73.1620 174.2138 48 E 2.8498 7.1197 122.3923 58.8560 29.3409 179.0184 49 E 3.7129 7.5725 118.9105 59.3652 29.4923 177.9894 50 Y 4.1633 8.0121 119.6400 60.6141 38.7964 176.9515 51 C 2.5854 8.0480 119.4674 59.6380 43.5203 175.6287 52 M 3.7928 7.6623 118.4263 58.2033 31.5302 178.3506 53 A 3.9737 7.6416 120.2207 54.5295 18.5108 179.0895 54 V 3.7187 6.6243 115.1206 64.1648 32.0802 175.2078 55 C 4.1388 7.6714 119.6531 56.7344 41.4391 173.5025 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 4 V 7.91 4.06 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 1.03 0.00 0.00 0.94 0.00 0.00 5 C 8.17 4.71 0.00 3.02 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 6 S 8.44 4.60 0.00 4.01 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 7 E 8.18 4.07 0.00 1.97 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 2.33 2.29 0.00 8 Q 8.33 3.92 0.00 1.95 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.01 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 9 A 7.71 3.28 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.24 4.65 0.00 2.00 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 2.19 2.39 0.00 11 T 8.63 4.25 4.40 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 1.42 0.00 0.00 12 G 8.42 4.20 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 0.00 13 P 0.00 4.43 0.00 2.17 2.18 0.00 3.95 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 1.95 1.98 0.00 14 C 7.84 4.51 0.00 2.90 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 15 R 8.20 4.61 0.00 1.72 1.84 0.00 3.17 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.53 0.00 16 A 7.67 4.32 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 17 M 8.45 4.58 0.00 1.68 1.89 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 18 I 8.67 4.65 2.08 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 1.27 0.94 0.99 0.00 0.00 19 S 8.82 4.24 0.00 3.75 3.61 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.09 4.86 0.00 0.80 1.92 0.00 3.27 0.00 0.00 3.20 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 21 W 9.90 5.67 0.00 3.50 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 22 Y 9.47 5.57 0.00 3.09 2.62 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 23 F 9.98 4.45 0.00 3.03 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 24 D 7.72 4.63 0.00 2.19 2.31 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.55 3.81 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 0.91 0.00 0.00 0.97 0.00 0.00 26 T 7.88 3.79 4.35 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 1.20 0.00 0.00 27 E 9.27 4.06 0.00 1.84 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 0.00 2.29 2.21 0.00 28 G 7.68 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 0.00 0.00 0.00 29 K 6.81 4.63 0.00 1.72 1.82 0.00 1.28 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.27 7.81 30 C 8.64 4.95 0.00 2.86 3.21 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 31 A 8.81 5.04 0.93 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 32 P 0.00 4.22 0.00 1.43 0.96 0.00 3.58 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.13 0.00 33 F 8.23 4.66 0.00 3.09 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 34 F 8.65 5.00 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 35 Y 9.07 4.80 0.00 2.55 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.27 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 0.00 0.00 0.00 0.00 37 G 6.88 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 0.00 0.00 0.00 38 C 6.29 5.06 0.00 3.05 3.08 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 0.00 0.00 0.00 0.00 39 G 9.35 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 40 G 9.87 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.20 4.96 0.00 2.74 2.87 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 42 R 8.34 3.86 0.00 1.79 1.97 0.00 3.21 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 43 N 7.73 4.56 0.00 2.95 2.84 0.00 0.00 6.86 7.25 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 44 N 6.41 4.91 0.00 2.60 2.42 0.00 0.00 7.11 7.02 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 45 F 9.52 5.24 0.00 3.38 3.14 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 0.00 46 D 9.31 4.55 0.00 2.76 2.83 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 0.00 0.00 0.00 0.00 47 T 7.81 4.75 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 1.26 0.00 0.00 48 E 7.12 2.85 0.00 1.16 1.12 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 1.93 1.83 0.00 49 E 7.57 3.71 0.00 1.94 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 2.35 2.30 0.00 50 Y 8.01 4.16 0.00 3.01 3.09 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 51 C 8.05 2.59 0.00 3.07 3.07 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 52 M 7.66 3.79 0.00 1.93 1.97 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.74 0.00 53 A 7.64 3.97 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 54 V 6.62 3.72 1.37 0.00 0.00 0.00 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 0.42 0.00 0.00 55 C 7.67 4.14 0.00 2.46 1.68 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 0.00 0.00 0.00 0.00