NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 4.0443 8.0093 120.7972 62.0605 39.1804 175.2450 4 K 3.2630 8.2261 116.9014 56.8402 32.7344 169.8053 5 V 4.0527 8.7710 125.1208 61.9397 33.2499 175.2069 6 R 4.0083 8.3640 126.2087 56.9757 30.7059 177.3752 7 E 3.7256 8.0841 120.0615 57.0596 26.8650 176.2358 8 N 4.4176 8.2551 124.1962 53.4113 39.4579 174.3363 9 E 3.7119 8.5691 118.9441 55.1806 28.9341 171.3680 10 P 4.4106 0.0000 0.0000 61.5640 32.0489 175.2757 11 F 4.5478 7.4899 117.1420 57.5099 39.9369 173.1555 12 D 4.6914 8.6450 118.1005 52.9478 40.8800 176.2498 13 V 4.1291 7.9244 119.0709 59.7387 32.1754 175.4292 14 A 3.4758 8.3985 127.2660 51.4503 18.1444 173.7352 15 L 3.4969 8.4023 127.4624 54.2658 40.9989 175.5038 16 R 4.4641 8.1329 123.0638 53.7745 30.9399 175.1459 17 R 4.1535 8.6361 123.3396 59.0348 30.4972 178.1146 18 F 4.0635 8.4794 117.2267 60.7692 38.7863 177.6555 19 K 3.9262 8.3715 117.3002 59.9230 31.7252 178.6906 20 R 4.3658 8.0726 114.3342 56.8853 30.0394 176.9482 21 S 4.7901 8.2284 112.6154 58.2407 64.9351 172.8685 22 C 4.8360 7.3535 118.6208 59.3459 31.7818 176.5569 23 E 3.9083 9.4632 127.5250 58.4122 27.7494 180.3364 24 K 3.9000 9.3366 133.8132 57.2493 32.3406 173.7193 25 A 4.0804 8.8953 117.1471 55.1762 19.2317 180.3896 26 G 3.9842 7.8419 95.2368 49.3784 0.0000 174.6390 27 V 4.8421 8.5985 115.3776 62.0822 32.0327 175.4120 28 L 4.3543 7.4142 118.6823 56.1733 43.2758 178.2388 29 A 4.0452 8.1154 121.8155 55.1344 18.4267 178.5431 30 E 4.0437 7.7652 115.4910 59.7082 31.3406 179.8576 31 V 3.6728 7.8789 116.3617 62.8310 30.9248 179.5226 32 R 3.3343 9.3990 114.6507 56.6372 31.4176 174.7753 33 R 4.3814 8.7013 112.3045 55.8278 32.2468 174.5613 34 R 3.4341 8.7542 125.2769 56.2214 30.0583 174.7002 35 E 4.3687 8.5319 121.6657 56.7788 30.1146 175.3740 36 F 4.4392 7.9965 117.1799 56.9919 42.2647 174.4500 37 Y 3.8119 7.6578 123.0025 57.6543 38.6128 169.0367 38 E 5.0883 7.9952 120.2141 54.6254 31.1040 176.9920 39 K 4.4737 8.0667 118.9853 56.4318 34.1366 174.2946 40 P 4.6255 0.0000 0.0000 65.0236 31.5932 177.6131 41 T 3.8730 8.1095 116.1014 67.3118 68.3625 176.0135 42 T 3.8919 7.8735 110.8185 64.8049 68.6597 175.5099 43 E 3.8912 7.8512 121.7228 59.4285 29.5110 178.6205 44 R 4.1087 8.5079 116.9660 57.7796 30.2041 177.3873 45 K 4.2171 8.0773 118.6479 58.3309 32.5695 177.9061 46 R 4.2245 8.4822 117.6786 57.5632 30.1894 177.5770 47 A 4.3535 7.5408 121.4900 52.4170 18.2618 179.2765 48 K 3.8779 7.6843 118.5177 59.4915 32.2434 178.5313 49 A 4.0198 7.2938 118.5107 55.2077 18.4759 179.5099 50 S 4.3297 7.7502 113.3721 61.2752 63.0184 176.2685 51 A 4.3411 7.3605 120.1523 52.7788 17.6438 178.9389 52 V 3.7418 7.6102 119.9352 64.9047 31.8601 176.3745 53 K 4.1090 7.9181 125.4664 56.5189 32.0720 176.1080 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 8.01 4.04 2.01 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.65 1.20 0.00 0.00 4 K 8.23 3.26 0.00 2.06 1.83 0.00 1.67 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.38 1.46 7.81 5 V 8.77 4.05 2.05 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 0.76 0.00 0.00 0.83 0.00 0.00 6 R 8.36 4.01 0.00 1.82 1.90 0.00 3.40 0.00 0.00 3.22 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 7 E 8.08 3.73 0.00 2.20 2.44 0.00 0.00 0.00 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 2.31 0.00 8 N 8.26 4.42 0.00 2.67 2.74 0.00 0.00 7.27 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 8.57 3.71 0.00 2.46 2.12 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 2.32 2.40 0.00 10 P 0.00 4.41 0.00 2.18 2.03 0.00 3.92 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 2.01 1.96 0.00 11 F 7.49 4.55 0.00 3.11 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 12 D 8.64 4.69 0.00 2.62 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 7.92 4.13 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 0.71 0.00 0.00 0.92 0.00 0.00 14 A 8.40 3.48 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.40 3.50 0.00 1.90 1.79 0.88 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 16 R 8.13 4.46 0.00 1.71 1.85 0.00 3.29 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.75 0.00 17 R 8.64 4.15 0.00 2.08 2.07 0.00 3.29 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.81 0.00 18 F 8.48 4.06 0.00 2.98 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 19 K 8.37 3.93 0.00 1.97 1.91 0.00 1.71 0.00 0.00 1.86 0.00 0.00 3.06 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.59 1.53 7.81 20 R 8.07 4.37 0.00 1.82 1.98 0.00 3.28 0.00 0.00 3.17 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.80 0.00 21 S 8.23 4.79 0.00 3.81 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 7.35 4.84 0.00 2.82 1.85 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 23 E 9.46 3.91 0.00 2.02 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 2.39 2.31 0.00 24 K 9.34 3.90 0.00 2.00 1.79 0.00 1.64 0.00 0.00 1.83 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.48 7.81 25 A 8.90 4.08 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 26 G 7.84 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 0.00 0.00 0.00 0.00 27 V 8.60 4.84 2.05 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 1.00 0.00 0.00 0.92 0.00 0.00 28 L 7.41 4.35 0.00 1.68 1.56 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.12 4.05 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 30 E 7.77 4.04 0.00 2.03 1.92 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 2.17 2.18 0.00 31 V 7.88 3.67 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.95 0.00 0.00 32 R 9.40 3.33 0.00 2.10 1.72 0.00 3.46 0.00 0.00 3.18 7.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 33 R 8.70 4.38 0.00 1.85 1.89 0.00 3.46 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 34 R 8.75 3.43 0.00 1.93 1.84 0.00 3.26 0.00 0.00 3.04 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 35 E 8.53 4.37 0.00 2.03 1.95 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 2.48 2.58 0.00 36 F 8.00 4.44 0.00 2.98 2.98 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 0.00 37 Y 7.66 3.81 0.00 3.20 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 38 E 8.00 5.09 0.00 1.98 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 2.36 2.22 0.00 39 K 8.07 4.47 0.00 1.80 1.93 0.00 1.18 0.00 0.00 1.47 0.00 0.00 2.13 0.00 0.00 2.22 0.00 0.00 0.00 0.00 1.24 1.33 7.81 40 P 0.00 4.63 0.00 2.37 2.57 0.00 3.84 0.00 0.00 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.20 0.00 41 T 8.11 3.87 4.29 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 1.24 0.00 0.00 42 T 7.87 3.89 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 43 E 7.85 3.89 0.00 2.44 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 2.44 2.43 0.00 44 R 8.51 4.11 0.00 1.78 1.94 0.00 3.35 0.00 0.00 3.15 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 45 K 8.08 4.22 0.00 1.99 1.81 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.48 7.81 46 R 8.48 4.22 0.00 1.90 1.96 0.00 3.34 0.00 0.00 3.18 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.79 0.00 47 A 7.54 4.35 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 48 K 7.68 3.88 0.00 1.86 2.08 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.45 7.81 49 A 7.29 4.02 1.42 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 0.00 0.00 50 S 7.75 4.33 0.00 3.95 3.91 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 51 A 7.36 4.34 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.61 3.74 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 0.72 0.00 0.00 0.93 0.00 0.00 53 K 7.92 4.11 0.00 1.72 1.73 0.00 1.69 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.49 7.81