NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 M 4.4363 8.2893 120.3496 54.3330 32.3110 174.3690 8 P 4.1767 0.0000 0.0000 60.5831 31.9821 174.8715 9 Q 4.7306 8.5193 118.2537 54.5230 32.2142 175.5284 10 F 4.4728 8.2264 118.7176 56.7310 42.2340 172.9680 11 N 4.4979 7.3417 125.3098 51.6739 38.7288 174.5571 12 L 4.3049 7.9964 123.7217 53.7549 42.7065 177.3675 13 R 4.4192 8.2361 120.7517 54.1170 31.3410 174.4475 14 W 5.1917 8.2015 121.2130 53.3236 32.8828 174.6159 15 P 4.4495 0.0000 0.0000 62.4368 32.5131 177.2960 16 R 3.9215 8.7117 121.8317 60.0365 30.0318 178.3945 17 E 3.9484 8.3472 117.5064 59.7964 29.4454 179.7198 18 V 3.6141 7.7410 117.3729 65.8742 31.7369 177.6756 19 L 4.1754 8.3177 120.3083 58.3714 41.8894 178.7438 20 D 4.3933 8.5585 119.2894 57.1989 40.6934 178.4810 21 L 3.9603 7.9875 120.8500 57.9931 42.0374 179.2012 22 V 3.7265 8.0087 118.4687 65.5993 31.4000 178.3437 23 R 3.8560 7.9316 117.9995 59.0367 29.9859 178.4422 24 K 3.7485 8.0667 119.4676 59.8722 32.1336 178.7355 25 V 3.4040 7.4853 117.4664 65.8458 31.3811 177.8050 26 A 3.4785 7.6826 120.4714 54.8307 18.1830 179.2874 27 E 3.8105 8.2554 117.8861 59.5385 29.5593 178.6644 28 E 4.0510 7.9267 117.2947 59.5244 29.5534 178.3150 29 N 4.8019 7.8232 113.5338 52.6149 38.5890 175.3594 30 G 3.9471 8.5128 108.5321 46.3319 0.0000 173.3866 31 M 4.8391 8.2935 116.1902 52.2714 34.6609 174.8952 32 S 4.5373 8.2803 113.9866 57.6240 65.8769 175.2172 33 V 3.6947 8.2230 121.2873 65.8328 31.1014 177.6858 34 N 4.3122 8.0926 116.6036 56.9571 38.8900 176.9742 35 S 4.1823 7.8687 116.6028 61.4128 62.9888 175.8920 36 Y 4.1294 8.4395 122.6892 61.0829 38.6273 178.5234 37 I 3.6789 7.8489 120.0658 64.2381 37.0324 177.8817 38 Y 3.9087 7.7198 120.7044 60.8995 38.7078 178.2388 39 Q 3.9130 8.4414 119.1211 58.7374 28.6134 178.8473 40 L 3.7757 7.3377 119.6881 57.5219 41.6381 179.6853 41 V 3.1033 7.4381 117.9894 66.2233 31.4694 177.9590 42 M 3.7128 7.5297 118.5035 58.3789 31.5890 178.6971 43 E 4.0127 8.0910 118.9388 59.0894 29.5039 179.4188 44 S 4.1413 7.7811 114.3283 61.3182 63.2030 176.6169 45 F 4.4771 8.4273 123.9551 60.8205 38.5627 178.3214 46 K 4.1830 8.1601 123.6132 59.7178 31.4636 180.7631 47 K 4.5674 8.1987 117.5860 57.5493 32.8959 177.5326 48 E 4.5505 8.0030 117.8135 56.0679 29.9838 176.7085 49 G 3.9834 8.1485 109.2343 45.4921 0.0000 175.8032 50 R 3.6559 7.5486 118.3203 58.7048 30.3052 176.4691 51 I 4.1484 7.2221 121.0037 61.0664 38.2980 174.4062 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 7 M 8.29 4.44 0.00 1.97 2.07 0.00 0.00 0.00 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.58 0.00 8 P 0.00 4.18 0.00 2.34 2.07 0.00 3.80 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 2.03 2.05 0.00 9 Q 8.52 4.73 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.70 0.00 0.00 0.00 0.00 0.00 2.21 2.29 0.00 10 F 8.23 4.47 0.00 2.98 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.34 4.50 0.00 2.34 2.49 0.00 0.00 7.04 7.85 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 12 L 8.00 4.30 0.00 1.10 0.50 -0.01 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 13 R 8.24 4.42 0.00 1.78 1.88 0.00 3.10 0.00 0.00 3.20 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.54 0.00 14 W 8.20 5.19 0.00 3.35 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 15 P 0.00 4.45 0.00 2.19 2.00 0.00 3.68 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.18 0.00 16 R 8.71 3.92 0.00 1.90 1.97 0.00 3.22 0.00 0.00 3.35 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.77 0.00 17 E 8.35 3.95 0.00 2.11 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 2.42 2.47 0.00 18 V 7.74 3.61 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.88 0.00 0.00 19 L 8.32 4.18 0.00 2.03 1.72 0.96 1.24 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 20 D 8.56 4.39 0.00 2.81 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 21 L 7.99 3.96 0.00 1.90 1.85 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 22 V 8.01 3.73 2.38 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 1.21 0.00 0.00 1.22 0.00 0.00 23 R 7.93 3.86 0.00 2.09 1.95 0.00 3.22 0.00 0.00 3.10 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.97 0.00 24 K 8.07 3.75 0.00 1.79 2.02 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.44 7.81 25 V 7.49 3.40 1.78 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 0.59 0.00 0.00 0.96 0.00 0.00 26 A 7.68 3.48 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 27 E 8.26 3.81 0.00 2.17 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 0.00 2.28 2.37 0.00 28 E 7.93 4.05 0.00 2.13 1.98 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 2.32 2.54 0.00 29 N 7.82 4.80 0.00 2.87 2.93 0.00 0.00 7.04 7.03 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 30 G 8.51 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 0.00 0.00 0.00 31 M 8.29 4.84 0.00 2.09 2.08 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.71 0.00 32 S 8.28 4.54 0.00 4.09 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 33 V 8.22 3.69 2.11 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 1.08 0.00 0.00 0.96 0.00 0.00 34 N 8.09 4.31 0.00 2.88 2.80 0.00 0.00 7.26 7.85 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 35 S 7.87 4.18 0.00 3.92 3.93 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.44 4.13 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 37 I 7.85 3.68 1.95 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.10 0.99 0.00 0.00 38 Y 7.72 3.91 0.00 3.05 3.05 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 0.00 0.00 0.00 0.00 39 Q 8.44 3.91 0.00 2.04 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 2.67 2.59 0.00 40 L 7.34 3.78 0.00 1.69 1.54 0.83 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.44 3.10 1.73 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 0.07 0.00 0.00 0.79 0.00 0.00 42 M 7.53 3.71 0.00 1.86 1.77 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.61 0.00 43 E 8.09 4.01 0.00 2.05 1.93 0.00 0.00 0.00 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 2.25 0.00 44 S 7.78 4.14 0.00 4.03 4.17 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.43 4.48 0.00 3.17 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 46 K 8.16 4.18 0.00 1.78 1.81 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.32 7.81 47 K 8.20 4.57 0.00 1.87 1.96 0.00 1.43 0.00 0.00 1.76 0.00 0.00 3.17 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.67 7.81 48 E 8.00 4.55 0.00 2.08 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 0.00 2.39 2.26 0.00 49 G 8.15 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 50 R 7.55 3.66 0.00 1.73 1.62 0.00 2.88 0.00 0.00 2.96 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.40 0.00 51 I 7.22 4.15 1.96 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 1.19 0.90 0.96 0.00 0.00