NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.1957 8.2993 120.1325 55.4962 33.3556 175.1058 2 P 4.1778 0.0000 0.0000 61.5818 31.1418 170.3304 3 V 4.2118 9.0045 124.3975 60.8159 34.4971 176.0213 4 S 4.4839 8.5591 123.5755 57.0155 62.9056 173.5201 5 L 4.2977 8.1420 126.3947 53.4663 42.1162 177.5263 6 S 4.2115 8.2697 119.9596 57.7519 63.6742 173.9189 7 Y 4.2089 8.1806 119.4179 57.3727 36.5129 176.1146 8 R 4.0394 8.4485 121.8028 56.3403 30.1220 176.9921 9 C 5.0715 8.3323 117.9075 54.3596 42.8454 172.5033 10 P 4.2109 0.0000 0.0000 64.9231 31.2261 177.4025 11 C 5.0822 8.0554 113.2178 55.1480 43.5314 173.5428 12 R 4.0084 8.4487 120.0524 56.9613 31.4401 176.1398 13 F 4.7159 7.5639 112.8510 55.2886 42.3228 174.2371 14 F 5.1828 8.3361 119.0953 55.6642 42.3795 175.0197 15 E 4.2228 9.7686 125.9266 56.8374 29.7136 177.6003 16 S 4.8637 8.6231 118.2757 58.3122 63.3993 174.4709 17 H 4.7092 7.7897 120.4329 55.4577 30.2017 172.1898 18 V 4.4762 8.2559 123.7692 60.4183 34.6735 174.3994 19 A 4.2609 8.1553 128.3497 50.0728 20.5931 177.9654 20 R 2.6572 7.4126 123.1629 58.8835 30.1268 178.2919 21 A 3.9609 7.5468 118.8457 53.9926 18.7191 177.1043 22 N 4.6682 8.1242 113.8019 53.0214 39.2548 173.6254 23 V 4.6397 7.2489 117.4304 61.7442 32.2367 175.4889 24 K 4.3370 9.2393 129.4808 58.9342 32.0325 176.8062 25 H 5.0355 8.0310 114.3215 53.9080 32.2755 171.1708 26 L 4.9931 8.5687 120.9115 53.2530 43.4309 175.9482 27 K 4.5497 9.1615 124.8043 55.0331 35.7794 174.5285 28 I 4.6164 8.5699 128.1904 59.4534 39.4202 174.6902 29 L 4.6948 9.2590 130.3953 53.1576 43.8965 174.6796 30 N 5.0195 8.7196 124.6623 52.3152 38.8591 174.7282 31 T 4.6139 7.9565 116.2082 60.7238 71.2805 173.1555 32 P 4.1625 0.0000 0.0000 65.3542 31.1507 176.7653 33 N 4.7490 8.0059 113.0397 52.5608 38.9780 173.7430 34 C 4.8794 8.1031 117.9650 54.5430 45.5445 172.7485 35 A 4.2059 8.2207 124.4015 51.1385 18.8708 175.9563 36 L 4.4119 8.2320 121.4505 55.1637 42.4471 175.9216 37 Q 4.7452 8.7892 126.7219 54.5999 30.8151 174.9404 38 I 4.6488 7.9182 123.9406 59.7434 39.6186 174.8752 39 V 4.9833 9.2435 125.9429 61.1484 34.6660 174.1235 40 A 5.6749 8.7591 127.3856 49.8176 23.1035 174.5208 41 R 4.9933 8.6346 120.7467 54.6286 32.6154 175.5190 42 L 4.7509 8.9527 126.1871 54.9380 41.7416 178.2002 43 K 4.0040 9.3494 121.9073 59.4645 32.5975 179.6664 44 N 4.5604 8.8211 115.4649 55.8032 39.0719 176.1518 45 N 4.3767 8.1614 115.9607 53.7453 39.5506 175.4890 46 N 4.9955 7.3570 110.5045 53.7030 38.4437 173.2703 47 R 4.6176 7.3058 114.4255 54.8484 32.5960 175.1905 48 Q 4.7771 8.6220 124.0519 55.7055 30.1730 175.1582 49 V 4.6086 9.0419 120.9328 59.9314 35.3975 173.7077 50 C 5.6513 9.3307 117.4229 55.7030 42.0691 173.7285 51 I 5.1705 9.1127 122.5081 59.5053 40.6168 174.1753 52 D 4.2001 8.4695 125.7424 52.6669 41.7761 175.6733 53 P 4.1262 0.0000 0.0000 65.1309 31.3500 176.8829 54 K 4.3940 8.2279 117.9351 56.2332 32.1783 177.2123 55 L 4.2039 7.3045 119.9501 54.2257 43.5415 178.2477 56 K 4.0006 8.5315 121.9839 59.4572 32.2033 179.7817 57 W 4.4184 8.2333 115.9359 58.9552 28.2681 178.3985 58 I 3.3119 6.9100 120.9285 64.1810 36.6105 177.8672 59 Q 3.9911 8.2849 119.3045 59.0078 28.5368 178.8896 60 E 3.9800 8.1254 119.1284 59.4726 29.4829 178.6273 61 Y 4.1784 8.2161 119.8845 60.8601 38.8486 178.3016 62 L 3.6861 8.3754 120.0627 57.5569 41.6340 179.1022 63 E 3.8648 8.2165 119.4496 59.2337 29.6883 179.0118 64 K 3.9803 8.5540 118.4165 59.2975 32.5463 178.9426 65 A 3.9132 7.6897 121.9909 54.8957 18.3153 179.1842 66 L 4.0526 7.7539 116.7449 57.3461 41.7738 178.9652 67 N 4.2686 8.0811 116.7491 56.2813 39.1809 174.6266 68 K 4.1884 8.2855 124.7639 56.8248 33.8658 175.0304 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 K 8.30 4.20 0.00 1.75 1.82 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.37 7.81 2 P 0.00 4.18 0.00 2.24 2.08 0.00 3.69 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 2.00 0.00 3 V 9.00 4.21 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 0.80 0.00 0.00 0.99 0.00 0.00 4 S 8.56 4.48 0.00 3.86 3.76 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 5 L 8.14 4.30 0.00 1.51 1.52 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 6 S 8.27 4.21 0.00 3.83 3.80 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 0.00 0.00 0.00 7 Y 8.18 4.21 0.00 2.97 2.92 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 0.00 0.00 0.00 8 R 8.45 4.04 0.00 1.92 1.94 0.00 2.99 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 9 C 8.33 5.07 0.00 3.01 3.31 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 10 P 0.00 4.21 0.00 2.07 2.14 0.00 3.89 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 11 C 8.06 5.08 0.00 2.84 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.45 4.01 0.00 1.51 1.33 0.00 3.15 0.00 0.00 3.12 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.51 0.00 13 F 7.56 4.72 0.00 2.89 2.84 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.34 5.18 0.00 3.04 2.84 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.77 4.22 0.00 2.32 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 2.40 2.38 0.00 16 S 8.62 4.86 0.00 3.90 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 17 H 7.79 4.71 0.00 3.08 3.22 0.00 5.86 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 V 8.26 4.48 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 1.09 0.00 0.00 19 A 8.16 4.26 1.10 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 0.00 0.00 20 R 7.41 2.66 0.00 0.67 1.34 0.00 2.93 0.00 0.00 3.31 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.44 0.00 21 A 7.55 3.96 1.17 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 0.00 0.00 22 N 8.12 4.67 0.00 2.71 2.81 0.00 0.00 6.57 8.53 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 23 V 7.25 4.64 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 0.92 0.00 0.00 1.10 0.00 0.00 24 K 9.24 4.34 0.00 1.78 1.79 0.00 1.69 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.53 1.56 7.81 25 H 8.03 5.04 0.00 3.15 3.31 0.00 5.46 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 8.57 4.99 0.00 1.55 1.51 0.84 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 27 K 9.16 4.55 0.00 1.67 1.65 0.00 1.59 0.00 0.00 1.62 0.00 0.00 2.74 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.41 7.81 28 I 8.57 4.62 1.90 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.90 0.90 0.00 0.00 29 L 9.26 4.69 0.00 1.71 1.67 0.94 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.72 5.02 0.00 2.74 2.79 0.00 0.00 6.07 7.71 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 31 T 7.96 4.61 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 32 P 0.00 4.16 0.00 2.11 2.17 0.00 3.71 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.99 0.00 33 N 8.01 4.75 0.00 2.61 2.51 0.00 0.00 6.49 7.50 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 34 C 8.10 4.88 0.00 2.87 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 35 A 8.22 4.21 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.23 4.41 0.00 1.63 1.53 0.82 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 37 Q 8.79 4.75 0.00 2.33 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.62 0.00 0.00 0.00 0.00 0.00 2.64 2.66 0.00 38 I 7.92 4.65 1.87 0.00 0.00 0.69 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 0.74 0.81 0.00 0.00 39 V 9.24 4.98 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 1.11 0.00 0.00 0.98 0.00 0.00 40 A 8.76 5.67 1.29 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 0.00 0.00 41 R 8.63 4.99 0.00 2.03 1.84 0.00 3.20 0.00 0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.77 0.00 42 L 8.95 4.75 0.00 1.69 1.57 0.95 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 43 K 9.35 4.00 0.00 1.88 1.82 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.47 7.81 44 N 8.82 4.56 0.00 2.72 2.86 0.00 0.00 7.06 7.81 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 45 N 8.16 4.38 0.00 2.80 2.80 0.00 0.00 6.89 6.72 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 46 N 7.36 5.00 0.00 2.86 2.89 0.00 0.00 7.09 7.52 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 47 R 7.31 4.62 0.00 1.90 1.83 0.00 3.40 0.00 0.00 3.10 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.76 0.00 48 Q 8.62 4.78 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.46 0.00 49 V 9.04 4.61 2.43 0.00 0.00 0.00 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 1.07 0.00 0.00 50 C 9.33 5.65 0.00 3.15 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 51 I 9.11 5.17 1.78 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 1.20 1.05 0.69 0.00 0.00 52 D 8.47 4.20 0.00 2.83 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 P 0.00 4.13 0.00 2.08 2.01 0.00 3.34 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.75 0.00 54 K 8.23 4.39 0.00 1.83 1.81 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.49 7.81 55 L 7.30 4.20 0.00 1.29 1.32 0.96 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 56 K 8.53 4.00 0.00 1.91 1.92 0.00 1.70 0.00 0.00 1.93 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.56 1.54 7.81 57 W 8.23 4.42 0.00 3.64 3.30 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 0.00 0.00 0.00 0.00 58 I 6.91 3.31 1.65 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.07 0.25 0.76 0.00 0.00 59 Q 8.28 3.99 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.74 0.00 0.00 0.00 0.00 0.00 2.51 2.52 0.00 60 E 8.13 3.98 0.00 2.34 2.09 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 2.64 2.55 0.00 61 Y 8.22 4.18 0.00 3.16 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 62 L 8.38 3.69 0.00 1.65 1.61 1.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 63 E 8.22 3.86 0.00 2.06 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 2.29 2.29 0.00 64 K 8.55 3.98 0.00 1.97 2.05 0.00 1.42 0.00 0.00 1.72 0.00 0.00 3.10 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.69 1.43 7.81 65 A 7.69 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 L 7.75 4.05 0.00 1.70 1.68 0.86 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 67 N 8.08 4.27 0.00 2.73 2.83 0.00 0.00 7.17 7.33 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 68 K 8.29 4.19 0.00 1.84 1.76 0.00 1.87 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.33 1.36 7.81