NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.8015 7.9432 120.3938 54.6207 43.9824 176.0208 2 K 5.0151 10.5284 120.3109 54.6870 32.6003 173.9950 3 C 5.1653 8.4505 124.1665 54.9739 44.2773 171.9685 4 N 5.6355 8.4754 115.4601 51.4821 40.3860 173.7690 5 K 4.1595 8.8115 122.0158 55.6648 33.4535 175.5666 6 L 3.6934 8.7149 128.2308 56.0240 39.6813 174.7198 7 V 4.5506 8.3835 110.8449 63.8663 33.8730 175.4470 8 P 4.5943 0.0000 0.0000 62.7686 31.1261 176.1094 9 L 4.2685 7.4255 119.6684 55.2951 44.4435 177.5459 10 F 4.1803 8.4949 116.8483 57.1267 39.0897 173.1233 11 Y 4.8509 8.9897 119.9749 56.4566 42.0516 177.7001 12 K 4.8678 6.1006 120.5631 57.2882 34.1670 177.5592 13 T 5.1519 8.7299 123.7952 62.8124 71.4033 173.0433 14 C 5.1736 8.6872 121.6929 53.3280 41.3917 172.1829 15 P 4.4576 0.0000 0.0000 63.9145 32.5612 175.9073 16 A 3.8557 8.4982 123.3590 53.9736 18.2716 177.6016 17 G 4.2367 8.8724 115.6140 45.7017 0.0000 174.0295 18 K 4.5618 7.4396 117.3744 54.8801 34.4121 174.8022 19 N 4.9702 8.2971 112.9001 54.3089 44.2388 173.3373 20 L 4.9611 8.0691 116.9334 53.2445 46.9148 174.5581 21 C 5.1981 9.0122 120.1503 56.0426 47.5219 171.9500 22 Y 5.3947 8.7790 122.5156 56.7394 42.2295 173.2387 23 K 4.7003 9.0128 126.7131 54.8602 35.4718 174.9760 24 M 4.7160 9.0879 124.1667 53.9934 35.5902 174.1219 25 F 5.2034 7.5043 120.2417 57.0511 41.5920 171.9499 26 M 5.7672 8.5365 115.1000 54.3207 34.4393 174.9337 27 V 3.8924 8.3437 112.0966 62.1141 32.1776 175.0571 28 S 4.8155 8.2983 117.5897 59.2854 69.9134 173.7578 29 N 4.8841 8.0070 113.2986 54.1973 41.3380 175.6443 30 L 4.6283 7.3015 114.8550 54.6719 43.1059 177.4200 31 T 3.4525 7.6398 114.9502 64.2418 65.8041 171.7597 32 V 4.2191 7.3537 120.6066 59.7472 34.2476 173.2880 33 P 2.0000 0.0000 0.0000 61.7141 31.8826 176.1422 34 V 4.2394 8.2143 119.3321 62.3506 33.9252 175.2710 35 K 4.6034 8.1640 119.6960 54.5284 34.7990 174.9872 36 R 5.3620 7.9216 121.9196 53.9694 34.4976 174.0241 37 G 4.2475 7.7062 109.8561 45.5067 0.0000 171.9610 38 C 5.1600 8.0877 118.3305 55.3270 40.8414 173.3240 39 I 4.3335 8.2996 124.7607 60.3038 40.0939 174.1199 40 D 4.7212 8.6374 117.4641 53.6613 42.3819 176.1483 41 V 4.3120 7.5795 116.5532 62.2243 33.2438 175.4065 42 C 4.8722 8.4265 127.5104 55.9107 41.4545 172.8562 43 P 4.4746 0.0000 0.0000 62.9444 32.1748 175.6485 44 K 4.1144 9.0883 119.0877 56.4368 32.0478 176.5113 45 N 3.8936 6.8605 120.5970 51.6069 41.9498 174.4745 46 S 4.6468 7.6888 113.8324 58.5966 67.0030 178.7314 47 A 4.6706 8.8335 116.6187 51.5614 22.1306 176.4413 48 L 4.5205 8.1945 114.0878 56.1696 44.1037 177.0361 49 V 5.3014 8.1462 115.4277 58.8298 32.9483 174.9387 50 K 4.5717 8.3977 125.1643 55.6624 35.0504 174.9176 51 Y 5.3157 8.4537 119.8218 56.4908 40.1131 175.1932 52 V 4.5769 9.2130 124.2742 61.2068 35.1369 173.4473 53 C 5.4896 8.7253 124.4335 55.1893 43.4622 173.8269 54 C 4.8836 8.7026 126.5564 55.1867 45.9395 173.4039 55 N 4.8967 8.1238 118.2253 51.4973 38.4235 175.8402 56 T 4.3324 8.0861 113.2103 63.7036 71.4234 175.1712 57 D 4.1751 7.2705 131.2566 56.7332 38.9970 178.8289 58 R 3.5811 7.7216 126.7949 59.5099 31.4509 175.0234 59 C 4.8194 12.0000 110.7607 51.8400 43.2627 173.4930 60 N 4.4346 8.2949 125.2102 54.6467 39.1020 173.7444 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 L 7.94 4.80 0.00 1.65 1.82 0.94 0.52 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 2 K 10.53 5.02 0.00 1.64 1.81 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.34 7.81 3 C 8.45 5.17 0.00 2.90 3.02 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 0.00 0.00 0.00 4 N 8.48 5.64 0.00 2.63 2.58 0.00 0.00 5.19 6.87 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 5 K 8.81 4.16 0.00 1.82 1.86 0.00 1.90 0.00 0.00 1.81 0.00 0.00 2.66 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.32 1.02 7.81 6 L 8.71 3.69 0.00 1.91 1.61 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 7 V 8.38 4.55 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 1.06 0.00 0.00 0.95 0.00 0.00 8 P 0.00 4.59 0.00 2.11 2.08 0.00 3.75 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 9 L 7.43 4.27 0.00 1.54 1.97 0.92 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 10 F 8.49 4.18 0.00 3.18 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 11 Y 8.99 4.85 0.00 2.84 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 12 K 6.10 4.87 0.00 1.74 1.06 0.00 1.51 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.20 1.09 7.81 13 T 8.73 5.15 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 1.25 0.00 0.00 14 C 8.69 5.17 0.00 3.13 3.28 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 15 P 0.00 4.46 0.00 2.22 2.11 0.00 3.85 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 16 A 8.50 3.86 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 17 G 8.87 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 0.00 0.00 0.00 0.00 18 K 7.44 4.56 0.00 1.75 1.80 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.74 1.47 7.81 19 N 8.30 4.97 0.00 2.63 2.89 0.00 0.00 6.65 7.79 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 20 L 8.07 4.96 0.00 1.67 1.77 1.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 21 C 9.01 5.20 0.00 3.26 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 22 Y 8.78 5.39 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 23 K 9.01 4.70 0.00 1.97 2.15 0.00 1.72 0.00 0.00 1.54 0.00 0.00 2.78 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 1.39 7.81 24 M 9.09 4.72 0.00 1.61 1.50 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 2.16 0.00 25 F 7.50 5.20 0.00 3.25 3.20 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.54 5.77 0.00 2.00 2.11 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.48 0.00 27 V 8.34 3.89 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 0.82 0.00 0.00 0.97 0.00 0.00 28 S 8.30 4.82 0.00 3.81 3.81 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 29 N 8.01 4.88 0.00 2.68 2.77 0.00 0.00 6.67 7.86 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 30 L 7.30 4.63 0.00 1.55 1.55 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 31 T 7.64 3.45 4.27 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 1.32 0.00 0.00 32 V 7.35 4.22 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 0.81 0.00 0.00 0.93 0.00 0.00 33 P 0.00 2.00 0.00 1.76 1.15 0.00 3.50 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.65 0.00 34 V 8.21 4.24 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 0.92 0.00 0.00 1.08 0.00 0.00 35 K 8.16 4.60 0.00 1.72 1.54 0.00 1.55 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.20 1.32 7.81 36 R 7.92 5.36 0.00 1.94 1.72 0.00 3.71 0.00 0.00 3.95 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.53 0.00 37 G 7.71 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 0.00 0.00 0.00 0.00 38 C 8.09 5.16 0.00 2.99 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 39 I 8.30 4.33 1.89 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.34 0.88 0.00 0.00 40 D 8.64 4.72 0.00 2.58 2.56 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 0.00 0.00 0.00 41 V 7.58 4.31 1.99 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 0.78 0.00 0.00 0.89 0.00 0.00 42 C 8.43 4.87 0.00 2.98 3.07 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 0.00 43 P 0.00 4.47 0.00 2.12 2.00 0.00 3.84 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.93 0.00 44 K 9.09 4.11 0.00 1.79 1.66 0.00 1.60 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.22 1.36 7.81 45 N 6.86 3.89 0.00 2.58 2.06 0.00 0.00 5.78 7.58 0.00 0.00 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 S 7.69 4.65 0.00 3.76 3.27 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 47 A 8.83 4.67 1.23 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 0.00 0.00 0.00 0.00 0.00 48 L 8.19 4.52 0.00 1.63 1.71 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 49 V 8.15 5.30 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 0.75 0.00 0.00 1.18 0.00 0.00 50 K 8.40 4.57 0.00 1.75 1.87 0.00 1.45 0.00 0.00 1.84 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.02 1.20 7.81 51 Y 8.45 5.32 0.00 2.92 3.57 0.00 0.00 0.00 0.00 0.00 0.00 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 9.21 4.58 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 1.17 0.00 0.00 0.92 0.00 0.00 53 C 8.73 5.49 0.00 3.06 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 54 C 8.70 4.88 0.00 3.11 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 55 N 8.12 4.90 0.00 2.70 2.72 0.00 0.00 6.83 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 T 8.09 4.33 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 1.22 0.00 0.00 57 D 7.27 4.18 0.00 2.87 2.24 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 58 R 7.72 3.58 0.00 1.78 1.92 0.00 3.17 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 59 C 12.00 4.82 0.00 3.07 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 60 N 8.29 4.43 0.00 2.92 3.09 0.00 0.00 7.13 7.87 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