NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 2.8151 8.0249 121.3975 60.7952 37.5680 173.8328 4 K 4.0640 7.2398 122.1529 53.9748 33.7194 172.0085 5 V 4.1917 8.1239 122.2298 62.0746 33.6736 173.1823 6 R 4.2538 8.7144 126.3372 57.4123 31.4541 176.0716 7 E 3.7774 8.3312 112.3696 56.6904 26.1928 173.9792 8 N 4.1706 8.2364 120.0866 54.2909 39.7523 169.8810 9 E 3.6898 8.5927 130.4041 54.3674 30.7827 172.3745 10 P 3.8425 0.0000 0.0000 62.4400 31.8291 176.1006 11 F 4.7904 7.9317 111.3525 56.4354 38.5905 172.1999 12 D 4.7436 8.8568 131.6777 54.5858 39.8487 176.5397 13 V 4.4179 7.5102 117.1506 59.4559 34.5756 176.4769 14 A 3.9897 8.8698 127.6411 54.6587 18.5168 178.5106 15 L 3.8676 8.1308 114.8530 56.2339 40.7516 176.0381 16 R 3.9681 7.5125 119.1264 58.5719 29.6508 178.0511 17 R 3.9643 8.2585 117.6502 59.2271 29.8952 178.0856 18 F 4.0044 8.0151 120.5520 61.3805 39.0037 176.9820 19 K 4.1046 8.2223 117.8773 59.6167 31.6368 178.1219 20 R 4.3768 7.5145 115.3249 56.3253 30.9977 177.2531 21 S 4.6161 7.8469 109.6946 57.8551 64.0977 173.0641 22 C 4.8074 7.2695 117.2986 58.8844 38.6408 177.1181 23 E 4.5049 7.9258 130.4287 53.7625 29.7207 175.8959 24 K 3.4317 8.7352 124.4391 57.7891 31.3383 174.0126 25 A 4.4471 8.4540 120.5397 52.9545 19.0879 176.5053 26 G 4.2248 8.7900 110.1316 46.8472 0.0000 176.2975 27 V 3.7660 7.4196 119.0743 64.3105 31.7261 177.8229 28 L 4.0075 7.7858 119.4544 57.9322 42.0040 178.6371 29 A 4.0956 7.9796 118.3810 54.7195 18.2849 178.6846 30 E 4.1542 7.6134 116.8658 58.8787 29.9427 178.0284 31 V 4.0874 7.0995 114.1920 63.2881 31.8193 177.0762 32 R 3.8889 7.8066 117.4474 61.9698 30.3825 177.8465 33 R 4.3346 7.7759 124.0095 55.3956 31.5524 174.9536 34 R 4.1949 8.2768 113.0963 56.7362 30.4401 176.7818 35 E 4.4682 7.8429 119.5490 56.4596 28.4691 176.5546 36 F 4.4477 7.7986 120.1672 60.1739 45.5100 175.9660 37 Y 4.1114 8.1098 121.3732 58.6493 36.4628 170.5875 38 E 4.7206 7.8331 113.1955 56.1202 31.8574 177.4718 39 K 3.9658 8.1573 119.3999 58.8141 32.7716 177.4651 40 P 3.9678 0.0000 0.0000 65.8616 31.4358 178.3055 41 T 3.9755 7.2565 107.0840 62.8027 68.1950 173.7804 42 T 4.4088 7.4035 110.2919 61.6743 71.1348 175.0838 43 E 3.9029 7.9950 127.0215 58.4115 30.7792 179.3680 44 R 4.2660 7.8635 116.5564 57.9474 30.6368 177.8374 45 K 4.3206 7.7179 114.6257 57.2181 32.7775 178.0687 46 R 4.3475 8.2906 118.9308 56.6651 30.4938 178.0855 47 A 4.0460 7.7127 121.6902 54.8148 18.3724 179.7333 48 K 4.1070 8.0433 116.5797 59.7377 32.4991 179.0177 49 A 4.0291 7.6428 121.4726 54.5151 18.4085 178.7330 50 S 4.4637 7.7903 111.2552 60.1158 64.0411 176.1741 51 A 4.0007 8.3145 123.8747 54.4842 18.0575 179.3477 52 V 3.7258 7.4606 117.3825 64.7234 31.2561 176.1840 53 K 4.0667 8.2093 124.2755 56.6330 32.3488 174.9445 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 I 8.02 2.82 1.66 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 1.42 0.99 0.53 0.00 0.00 4 K 7.24 4.06 0.00 1.72 1.65 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.31 1.34 7.81 5 V 8.12 4.19 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 0.81 0.00 0.00 0.90 0.00 0.00 6 R 8.71 4.25 0.00 1.79 1.91 0.00 3.44 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 7 E 8.33 3.78 0.00 2.46 2.46 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 2.35 2.37 0.00 8 N 8.24 4.17 0.00 2.67 2.77 0.00 0.00 7.26 7.65 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 9 E 8.59 3.69 0.00 2.09 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 0.00 2.29 2.22 0.00 10 P 0.00 3.84 0.00 2.11 1.89 0.00 3.71 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.86 0.00 11 F 7.93 4.79 0.00 2.97 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 12 D 8.86 4.74 0.00 2.74 2.76 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 13 V 7.51 4.42 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 0.72 0.00 0.00 0.88 0.00 0.00 14 A 8.87 3.99 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.13 3.87 0.00 1.86 1.77 0.98 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 16 R 7.51 3.97 0.00 1.98 1.95 0.00 3.25 0.00 0.00 3.18 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 17 R 8.26 3.96 0.00 1.87 2.01 0.00 3.35 0.00 0.00 3.27 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.67 0.00 18 F 8.02 4.00 0.00 3.10 2.95 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 19 K 8.22 4.10 0.00 1.94 1.92 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.55 7.81 20 R 7.51 4.38 0.00 1.96 1.95 0.00 3.17 0.00 0.00 3.30 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 21 S 7.85 4.62 0.00 3.80 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 22 C 7.27 4.81 0.00 3.14 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 23 E 7.93 4.50 0.00 2.03 1.80 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 2.34 2.26 0.00 24 K 8.74 3.43 0.00 2.09 1.65 0.00 1.76 0.00 0.00 1.84 0.00 0.00 2.90 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.39 7.81 25 A 8.45 4.45 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.79 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 0.00 0.00 0.00 0.00 27 V 7.42 3.77 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 1.04 0.00 0.00 0.94 0.00 0.00 28 L 7.79 4.01 0.00 1.95 1.64 0.93 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 29 A 7.98 4.10 1.33 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 0.00 0.00 0.00 30 E 7.61 4.15 0.00 2.39 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.40 0.00 31 V 7.10 4.09 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 0.89 0.00 0.00 1.01 0.00 0.00 32 R 7.81 3.89 0.00 2.03 1.90 0.00 3.30 0.00 0.00 3.15 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 33 R 7.78 4.33 0.00 1.76 1.69 0.00 3.25 0.00 0.00 3.18 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 34 R 8.28 4.19 0.00 1.84 1.93 0.00 2.82 0.00 0.00 3.06 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.47 0.00 35 E 7.84 4.47 0.00 1.56 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 2.20 2.29 0.00 36 F 7.80 4.45 0.00 2.86 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 37 Y 8.11 4.11 0.00 3.21 3.10 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 0.00 0.00 0.00 0.00 38 E 7.83 4.72 0.00 2.19 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.46 0.00 39 K 8.16 3.97 0.00 2.20 2.32 0.00 1.64 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.57 1.49 7.81 40 P 0.00 3.97 0.00 2.06 1.91 0.00 3.80 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.91 0.00 41 T 7.26 3.98 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 1.22 0.00 0.00 42 T 7.40 4.41 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 1.26 0.00 0.00 43 E 7.99 3.90 0.00 1.98 2.25 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 2.42 2.39 0.00 44 R 7.86 4.27 0.00 2.00 1.84 0.00 3.04 0.00 0.00 2.89 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.60 0.00 45 K 7.72 4.32 0.00 1.77 1.83 0.00 1.88 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.49 7.81 46 R 8.29 4.35 0.00 1.83 1.94 0.00 3.13 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.76 0.00 47 A 7.71 4.05 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.04 4.11 0.00 2.03 2.07 0.00 1.40 0.00 0.00 1.81 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.63 7.81 49 A 7.64 4.03 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.79 4.46 0.00 4.04 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 0.00 51 A 8.31 4.00 1.35 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 0.00 0.00 0.00 52 V 7.46 3.73 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 0.87 0.00 0.00 0.93 0.00 0.00 53 K 8.21 4.07 0.00 1.68 1.64 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.38 7.81