NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Y 4.5706 8.1293 121.6917 57.2349 40.6941 175.4306 2 V 4.0639 7.9346 115.8892 62.5322 33.2872 174.5967 3 S 4.4813 7.8065 115.3272 58.0011 64.4043 172.3396 4 C 5.1882 8.1325 115.2567 53.6897 45.1660 173.2990 5 L 4.4588 8.4277 118.8221 54.4561 42.9287 176.6172 6 F 4.9665 8.5647 125.3518 55.7810 42.4322 174.7730 7 R 3.4951 6.1068 117.8557 57.4461 29.2569 176.6825 8 G 3.7108 8.2839 108.1954 46.2525 0.0000 172.7517 9 A 4.8211 7.3023 118.9209 49.5533 22.5471 176.2498 10 R 4.7095 8.4105 119.9153 55.5783 31.4816 174.8052 11 C 4.8813 8.7656 120.3093 54.0431 44.1027 173.6426 12 R 4.2524 8.0308 119.4291 54.2194 31.4232 177.7114 13 V 3.2937 7.7835 113.4132 64.7917 31.3779 177.5458 14 Y 4.6747 6.8416 114.4038 57.9719 37.8661 176.2247 15 S 4.4800 7.4162 116.5700 57.7931 65.1518 175.3518 16 G 4.3212 7.8839 117.3865 45.1787 0.0000 176.8501 17 R 4.1357 8.5053 124.6377 55.3686 30.4181 175.8746 18 S 4.4152 8.1715 115.9164 58.2546 63.7351 174.4023 19 C 4.7102 8.3848 118.9622 56.9451 36.4300 174.1140 20 C 4.6619 9.0514 118.5592 56.7729 41.4380 173.1504 21 F 4.1440 8.9087 122.5747 59.7567 39.2334 175.0961 22 G 3.7574 9.1632 113.8176 45.7959 0.0000 171.8015 23 Y 4.8779 7.7503 115.0930 56.2080 42.1127 173.7771 24 Y 5.0150 9.1051 119.7640 55.9064 42.3498 172.5440 25 C 5.1044 8.7355 119.4631 54.9232 44.7061 172.8330 26 R 4.7967 8.5385 124.3329 54.1257 33.2612 175.9398 27 R 4.2523 8.4499 121.2262 56.0591 30.7598 177.0242 28 D 4.2781 8.0267 118.9532 56.7546 41.1397 176.7905 29 F 4.7427 6.8526 111.4056 54.7320 40.3953 170.3070 30 P 4.2402 0.0000 0.0000 65.0535 30.0768 176.0150 31 G 4.3175 8.6034 115.3312 45.9544 0.0000 171.6040 32 S 4.8520 7.8282 112.8290 56.2463 64.7892 173.1134 33 I 4.2571 8.2183 122.2395 61.0565 39.9724 174.9674 34 F 4.9514 8.0182 117.5540 55.9104 42.4337 175.1126 35 G 4.0508 8.4713 107.6315 45.7757 0.0000 171.5160 36 T 5.1877 8.4054 116.9804 61.9870 73.3665 172.1639 37 C 4.9956 8.5224 123.2381 55.6252 45.6156 172.6939 38 S 4.9970 8.7403 121.9640 56.0920 67.0357 173.5992 39 R 3.9777 8.7410 119.6587 55.5407 29.6084 177.7677 40 R 3.9550 7.7001 123.3789 55.0221 28.4664 177.9755 41 N 4.4946 7.5250 116.1069 53.0009 38.6763 174.1516 42 F 3.9999 8.5148 126.5334 58.1396 39.5043 175.2719 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 Y 8.13 4.57 0.00 2.97 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 2 V 7.93 4.06 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 0.80 0.00 0.00 0.99 0.00 0.00 3 S 7.81 4.48 0.00 3.92 3.88 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 4 C 8.13 5.19 0.00 3.06 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 5 L 8.43 4.46 0.00 1.62 1.60 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 6 F 8.56 4.97 0.00 2.96 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 7 R 6.11 3.50 0.00 1.71 1.38 0.00 3.01 0.00 0.00 3.11 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.50 0.00 8 G 8.28 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.30 4.82 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 10 R 8.41 4.71 0.00 1.86 1.88 0.00 3.27 0.00 0.00 3.39 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.82 0.00 11 C 8.77 4.88 0.00 2.87 3.04 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 0.00 0.00 0.00 12 R 8.03 4.25 0.00 0.89 0.66 0.00 2.52 0.00 0.00 3.07 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.05 0.00 13 V 7.78 3.29 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 -0.76 0.00 0.00 14 Y 6.84 4.67 0.00 2.97 2.89 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 15 S 7.42 4.48 0.00 3.89 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 16 G 7.88 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 17 R 8.51 4.14 0.00 1.83 1.90 0.00 3.14 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 18 S 8.17 4.42 0.00 3.89 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 19 C 8.38 4.71 0.00 3.14 3.17 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 0.00 0.00 0.00 0.00 20 C 9.05 4.66 0.00 3.08 3.31 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 21 F 8.91 4.14 0.00 3.08 3.11 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 0.00 0.00 0.00 22 G 9.16 3.76 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 0.00 23 Y 7.75 4.88 0.00 3.16 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 24 Y 9.11 5.02 0.00 2.97 2.92 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 0.00 0.00 0.00 25 C 8.74 5.10 0.00 2.90 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 26 R 8.54 4.80 0.00 1.46 1.66 0.00 3.40 0.00 0.00 3.44 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.26 0.00 27 R 8.45 4.25 0.00 1.74 1.76 0.00 3.14 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 28 D 8.03 4.28 0.00 1.91 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 0.00 0.00 0.00 29 F 6.85 4.74 0.00 3.14 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 30 P 0.00 4.24 0.00 2.12 2.16 0.00 3.81 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.17 0.00 31 G 8.60 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 32 S 7.83 4.85 0.00 3.28 3.47 0.00 0.00 0.00 0.00 0.00 0.00 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 8.22 4.26 2.05 0.00 0.00 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 1.82 1.45 1.12 0.00 0.00 34 F 8.02 4.95 0.00 2.87 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 35 G 8.47 4.05 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 0.00 0.00 0.00 36 T 8.41 5.19 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 1.22 0.00 0.00 37 C 8.52 5.00 0.00 2.94 2.93 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 38 S 8.74 5.00 0.00 3.30 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 39 R 8.74 3.98 0.00 1.50 1.58 0.00 2.96 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 40 R 7.70 3.96 0.00 1.54 1.72 0.00 2.90 0.00 0.00 2.96 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.40 0.00 41 N 7.53 4.49 0.00 2.63 2.75 0.00 0.00 7.15 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 F 8.51 4.00 0.00 2.98 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