NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8290 8.3549 109.7391 44.0237 0.0000 174.7373 2 S 3.4610 9.1246 113.4554 58.1868 59.7993 166.7900 3 E 4.0892 8.1293 123.6455 56.3429 31.3442 176.3015 4 G 4.0946 8.7057 114.1766 46.5750 0.0000 174.7834 5 K 4.0906 6.8206 119.9718 57.9198 32.7506 177.4583 6 T 3.4866 7.5082 110.0653 63.3100 69.7892 175.3380 7 C 4.1264 8.5725 122.7049 57.9338 37.5802 173.7089 8 G 3.7681 7.3764 109.2384 44.3687 0.0000 169.2127 9 P 4.3327 0.0000 0.0000 65.4415 31.9045 176.9360 10 S 4.8984 7.7274 113.3266 56.4681 61.8483 173.3752 11 S 4.7838 7.8726 116.0926 58.6253 64.3153 175.0080 12 F 4.9039 9.4435 127.8752 56.7413 41.3891 174.0019 13 S 4.8045 7.3314 119.3031 56.3859 63.6945 173.9002 14 C 4.4525 8.9602 128.4258 55.3235 44.4028 171.5099 15 P 4.5527 0.0000 0.0000 63.6886 31.4085 175.7171 16 G 3.8984 8.5770 105.6296 46.0421 0.0000 172.9174 17 T 3.9832 6.6742 112.1281 62.1684 71.3101 172.6297 18 H 4.8373 8.5642 118.7917 54.5424 28.0620 174.8187 19 V 4.3815 7.1282 113.5534 60.2937 34.2213 176.4366 20 C 5.0735 8.6892 120.6302 55.0536 39.5149 173.9581 21 V 4.1599 8.5733 119.2016 60.2378 33.8555 171.4901 22 P 4.4468 0.0000 0.0000 62.4405 32.1556 177.1528 23 E 3.8349 8.9673 124.0327 59.5072 29.7385 179.4031 24 R 4.0744 8.1615 117.6075 58.7393 30.2964 177.0812 25 W 4.7608 8.8099 116.2432 57.0344 29.6513 176.6198 26 L 3.9862 7.7364 118.7277 56.2019 41.4638 176.6842 27 C 4.2627 8.3305 123.1581 58.2871 35.0831 173.3960 28 D 4.4257 7.8259 117.3697 52.3367 40.7959 177.5307 29 G 3.7412 8.3995 109.3668 45.2206 0.0000 173.5000 30 D 4.5093 7.8217 119.4996 52.2279 40.0258 175.5732 31 K 4.2204 8.3092 126.4436 56.9966 30.3961 176.6504 32 D 4.5776 8.6615 123.6174 56.6573 41.7110 178.0659 33 C 4.5375 8.6200 118.9020 55.4544 44.4514 173.7995 34 A 4.0212 8.7236 128.7982 55.0796 17.7067 178.2370 35 D 4.9241 8.0443 114.3700 53.9863 41.8600 176.4432 36 G 4.5236 8.7053 105.6385 46.2184 0.0000 176.6263 37 A 4.0788 7.7250 123.8990 54.9651 18.8817 180.7769 38 D 4.5086 8.5062 114.8254 56.2098 39.3434 177.5115 39 E 4.4570 8.2998 117.8740 56.0014 29.7470 175.1053 40 S 4.7805 8.2826 116.0411 56.3172 66.9178 174.9074 41 I 3.7461 8.2534 120.3088 64.1498 36.9282 178.4683 42 A 3.9861 8.1496 122.3242 54.8667 18.2065 178.2013 43 A 2.9743 7.5496 117.3808 52.4132 18.9831 177.9991 44 G 4.1403 7.7279 105.1649 46.2982 0.0000 174.6156 45 C 4.8611 7.8691 116.8579 55.5049 39.0096 173.6423 46 L 4.1472 7.8659 122.4532 57.2717 42.3259 177.9652 47 Y 4.1586 8.2951 116.2055 57.6579 37.1253 174.0970 48 N 4.3731 7.7769 123.5097 50.0593 44.0956 172.5059 49 S 3.3812 8.6887 126.7113 59.4905 60.6586 172.8035 50 T 3.7249 8.3413 119.6217 63.9697 68.2864 172.4436 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 3.83 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 0.00 0.00 0.00 2 S 9.12 3.46 0.00 4.12 3.95 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 3 E 8.13 4.09 0.00 2.05 1.83 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 2.37 2.36 0.00 4 G 8.71 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 0.00 0.00 0.00 5 K 6.82 4.09 0.00 2.06 1.66 0.00 1.82 0.00 0.00 1.84 0.00 0.00 3.28 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.59 7.81 6 T 7.51 3.49 4.11 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 1.06 0.00 0.00 7 C 8.57 4.13 0.00 3.04 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 8 G 7.38 3.77 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 0.00 0.00 0.00 9 P 0.00 4.33 0.00 2.19 2.20 0.00 3.71 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 10 S 7.73 4.90 0.00 3.91 4.04 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 11 S 7.87 4.78 0.00 3.85 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 12 F 9.44 4.90 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 13 S 7.33 4.80 0.00 3.70 3.42 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 14 C 8.96 4.45 0.00 2.98 2.85 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 15 P 0.00 4.55 0.00 2.24 2.08 0.00 4.04 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.07 0.00 16 G 8.58 3.90 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 0.00 0.00 0.00 17 T 6.67 3.98 4.22 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 1.31 0.00 0.00 18 H 8.56 4.84 0.00 3.21 3.27 0.00 5.74 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 V 7.13 4.38 2.01 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 0.64 0.00 0.00 0.90 0.00 0.00 20 C 8.69 5.07 0.00 2.89 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.57 4.16 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 1.18 0.00 0.00 22 P 0.00 4.45 0.00 1.94 1.92 0.00 2.91 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 2.02 0.00 23 E 8.97 3.83 0.00 2.02 2.02 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 0.00 2.34 2.43 0.00 24 R 8.16 4.07 0.00 1.92 2.23 0.00 3.40 0.00 0.00 3.31 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.92 0.00 25 W 8.81 4.76 0.00 3.40 3.32 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 26 L 7.74 3.99 0.00 1.91 1.66 0.70 0.95 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 27 C 8.33 4.26 0.00 3.16 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 28 D 7.83 4.43 0.00 2.72 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 29 G 8.40 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 30 D 7.82 4.51 0.00 2.47 2.50 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 0.00 0.00 0.00 0.00 31 K 8.31 4.22 0.00 1.80 1.82 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.48 1.49 7.81 32 D 8.66 4.58 0.00 3.08 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 33 C 8.62 4.54 0.00 3.17 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 34 A 8.72 4.02 1.31 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 0.00 0.00 35 D 8.04 4.92 0.00 2.72 2.66 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 0.00 0.00 0.00 0.00 36 G 8.71 4.52 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 A 7.73 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 38 D 8.51 4.51 0.00 3.06 3.29 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 39 E 8.30 4.46 0.00 2.19 2.00 0.00 0.00 0.00 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 2.30 0.00 40 S 8.28 4.78 0.00 4.02 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 41 I 8.25 3.75 1.87 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 1.35 0.99 0.92 0.00 0.00 42 A 8.15 3.99 1.38 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 43 A 7.55 2.97 0.52 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 0.00 0.00 0.00 0.00 0.00 0.00 44 G 7.73 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 45 C 7.87 4.86 0.00 3.11 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 46 L 7.87 4.15 0.00 1.68 1.75 0.99 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 47 Y 8.30 4.16 0.00 3.10 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 48 N 7.78 4.37 0.00 2.71 2.56 0.00 0.00 7.24 7.53 0.00 0.00 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 S 8.69 3.38 0.00 4.01 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 50 T 8.34 3.72 4.22 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 1.19 0.00 0.00