NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.4281 8.1749 110.9331 61.7547 69.7728 172.4752 4 Y 4.2629 7.9781 118.2165 55.9182 42.0363 172.9960 5 Y 4.8966 9.0086 119.4811 55.2462 41.3343 177.2718 6 S 2.7900 8.3017 118.6175 60.3342 63.1227 174.9581 7 N 4.8436 7.8939 116.2812 52.4878 37.2977 174.9423 8 D 5.0354 8.4292 118.2335 54.7637 43.2165 177.2523 9 F 4.6568 8.3210 118.2210 57.6631 36.4794 173.7860 10 R 4.5614 7.8442 123.5279 53.4208 32.5220 174.8377 11 A 5.1825 8.0375 125.1824 53.9167 18.3982 176.4985 12 G 3.8501 9.2381 113.8168 46.0409 0.0000 174.1017 13 L 3.8024 7.9748 122.8380 55.5493 42.9864 176.2017 14 K 5.0436 8.3331 125.2320 54.7710 33.9929 175.5921 15 I 4.6093 8.2856 116.9753 59.5350 41.4072 173.8813 16 M 4.9018 8.5022 122.7001 55.2285 33.9271 176.0088 17 L 4.2360 9.2014 123.6310 55.0618 45.2279 175.8864 18 D 4.1415 9.8405 126.0677 54.3162 38.4013 174.4103 19 G 4.0088 10.0028 104.3486 46.5156 0.0000 173.3292 20 E 4.7088 8.3335 117.1664 54.0098 33.8254 172.3145 21 P 5.2325 0.0000 0.0000 62.3572 33.3354 174.3404 22 Y 4.9798 8.9920 119.8405 56.1171 42.9045 173.9350 23 A 4.9275 8.5363 123.4447 49.9740 21.7539 175.9619 24 V 3.2518 8.5098 123.7847 63.2624 31.6565 175.9291 25 E 4.3791 9.1068 129.6837 57.4786 28.9962 177.2654 26 A 4.9458 7.7379 118.5998 50.5707 23.9195 173.9639 27 S 5.2052 8.5287 112.4221 56.9801 65.7983 172.7318 28 E 4.8591 9.4433 127.4795 54.2563 32.9047 174.1853 29 F 5.0485 8.9760 128.7654 57.8962 40.4850 174.6229 30 V 4.1886 8.0101 125.1036 61.0600 34.8320 174.6104 31 K 4.6185 8.1429 128.5833 55.0380 33.3576 173.2972 32 P 4.4909 0.0000 0.0000 61.4548 32.3451 176.4477 33 G 3.7512 8.3917 108.4853 46.9605 0.0000 173.5934 34 K 3.7909 8.9253 123.1031 56.5770 30.8688 174.8477 35 G 4.1396 7.7549 105.3869 43.4208 0.0000 173.2391 36 Q 3.9130 8.1163 119.8835 55.3681 29.8826 174.9741 37 A 4.2345 7.9224 123.6462 51.5335 20.4247 176.5332 38 F 5.5328 9.4129 120.3728 55.5582 44.0977 173.7098 39 A 5.1040 9.4690 120.7382 50.6239 22.0266 175.2471 40 R 4.6647 9.4936 124.7164 55.1036 31.7310 174.9166 41 V 4.9663 8.6962 127.3849 60.9793 34.4352 174.5011 42 K 4.7398 8.9006 128.0147 56.1151 33.4557 176.2248 43 L 5.1670 9.4176 124.8266 52.8084 46.3750 175.3349 44 R 4.7186 8.6784 118.9589 54.0651 32.6102 174.3758 45 R 3.9581 8.9037 127.8026 55.5580 28.0813 176.1951 46 L 3.8090 7.6937 124.3498 58.0164 42.0201 178.3891 47 L 3.8496 7.7957 115.9743 58.8214 41.6699 179.1670 48 T 4.1563 7.6675 108.8085 61.8980 69.4653 175.5239 49 G 3.8479 8.0677 109.9022 46.1365 0.0000 173.7576 50 T 4.3770 7.2867 110.2326 60.9947 70.8122 173.8669 51 R 5.0129 8.3609 121.3521 55.5526 31.5179 176.2761 52 V 4.6830 8.7368 115.1942 59.7762 36.8269 174.0977 53 E 5.0780 8.7270 120.6342 54.7334 32.3476 175.5792 54 K 4.5823 9.0176 123.0691 54.7243 36.3830 175.0491 55 T 5.0087 7.8746 117.6446 61.9131 70.9882 173.8028 56 F 5.1309 9.1642 123.1940 55.4893 43.8272 174.6043 57 K 4.7666 9.1291 120.1859 56.4053 33.0611 178.3906 58 S 4.3744 8.7839 118.9997 60.5416 62.8408 175.2005 59 T 4.5032 7.7526 109.5934 61.3035 68.7358 173.8890 60 D 4.8906 7.9784 122.5862 53.5856 42.2778 176.9301 61 S 4.5471 8.5085 114.9417 57.9620 63.3209 174.0303 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 3 T 8.17 4.43 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 1.19 0.00 0.00 4 Y 7.98 4.26 0.00 3.19 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 5 Y 9.01 4.90 0.00 3.17 2.71 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 6 S 8.30 2.79 0.00 3.70 3.73 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 N 7.89 4.84 0.00 2.77 2.83 0.00 0.00 5.88 8.06 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 8 D 8.43 5.04 0.00 3.09 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 9 F 8.32 4.66 0.00 2.90 2.99 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 10 R 7.84 4.56 0.00 1.93 1.91 0.00 3.29 0.00 0.00 3.38 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 11 A 8.04 5.18 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 12 G 9.24 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 0.00 0.00 0.00 13 L 7.97 3.80 0.00 1.71 1.35 -0.12 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.33 5.04 0.00 1.57 1.64 0.00 1.73 0.00 0.00 1.78 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.27 1.29 7.81 15 I 8.29 4.61 1.70 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.56 0.51 0.00 0.00 16 M 8.50 4.90 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.66 0.00 17 L 9.20 4.24 0.00 1.53 1.33 0.33 1.31 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 18 D 9.84 4.14 0.00 2.89 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 19 G 10.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.33 4.71 0.00 2.22 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 2.23 2.33 0.00 21 P 0.00 5.23 0.00 2.04 2.13 0.00 3.46 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.90 0.00 22 Y 8.99 4.98 0.00 2.83 2.81 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 23 A 8.54 4.93 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 24 V 8.51 3.25 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 1.01 0.00 0.00 0.55 0.00 0.00 25 E 9.11 4.38 0.00 2.10 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 2.29 0.00 26 A 7.74 4.95 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 27 S 8.53 5.21 0.00 4.06 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 28 E 9.44 4.86 0.00 2.09 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 2.27 2.29 0.00 29 F 8.98 5.05 0.00 3.00 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 V 8.01 4.19 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 0.91 0.00 0.00 0.93 0.00 0.00 31 K 8.14 4.62 0.00 1.10 1.42 0.00 1.93 0.00 0.00 1.81 0.00 0.00 2.84 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.24 1.42 7.81 32 P 0.00 4.49 0.00 2.28 2.19 0.00 3.98 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 33 G 8.39 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.93 3.79 0.00 1.90 1.92 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.30 1.36 7.81 35 G 7.75 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 0.00 0.00 0.00 0.00 36 Q 8.12 3.91 0.00 1.84 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.85 0.00 0.00 0.00 0.00 0.00 1.82 2.14 0.00 37 A 7.92 4.23 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 38 F 9.41 5.53 0.00 3.00 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 A 9.47 5.10 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.49 4.66 0.00 1.92 1.89 0.00 3.25 0.00 0.00 3.03 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 41 V 8.70 4.97 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 1.38 0.00 0.00 42 K 8.90 4.74 0.00 1.82 1.76 0.00 1.69 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.61 1.46 7.81 43 L 9.42 5.17 0.00 1.63 1.71 0.87 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 44 R 8.68 4.72 0.00 1.87 1.86 0.00 3.09 0.00 0.00 3.08 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.53 0.00 45 R 8.90 3.96 0.00 1.93 1.74 0.00 3.23 0.00 0.00 3.12 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.06 0.00 46 L 7.69 3.81 0.00 1.62 1.68 0.87 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 47 L 7.80 3.85 0.00 1.49 1.65 0.85 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 48 T 7.67 4.16 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 1.17 0.00 0.00 49 G 8.07 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 0.00 0.00 0.00 50 T 7.29 4.38 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 1.20 0.00 0.00 51 R 8.36 5.01 0.00 1.71 1.91 0.00 3.20 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 52 V 8.74 4.68 2.14 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 0.88 0.00 0.00 1.10 0.00 0.00 53 E 8.73 5.08 0.00 1.78 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 2.21 2.31 0.00 54 K 9.02 4.58 0.00 1.46 1.07 0.00 1.32 0.00 0.00 1.38 0.00 0.00 2.72 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.18 1.26 7.81 55 T 7.87 5.01 3.98 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 0.00 0.00 0.00 0.88 0.00 0.00 56 F 9.16 5.13 0.00 3.07 2.94 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 0.00 0.00 0.00 0.00 57 K 9.13 4.77 0.00 2.25 1.86 0.00 1.80 0.00 0.00 1.99 0.00 0.00 3.03 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.55 1.63 7.81 58 S 8.78 4.37 0.00 3.94 3.96 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 59 T 7.75 4.50 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 1.18 0.00 0.00 60 D 7.98 4.89 0.00 3.09 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.51 4.55 0.00 3.90 3.86 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 0.00 0.00 0.00