NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0509 8.0393 120.3196 61.5532 32.6236 174.4562 2 C 4.4868 8.5856 118.3793 52.2801 42.9244 170.7305 3 R 4.5067 7.8118 116.4973 54.9943 30.3391 174.2966 4 D 4.6149 7.5562 117.8773 53.7481 40.0022 174.5863 5 W 5.1453 8.3428 114.3602 58.1621 37.0217 175.9367 6 F 5.2504 7.5515 124.0450 57.6356 37.9369 175.3937 7 K 4.3487 8.8188 127.9877 56.6955 32.8386 177.7677 8 E 4.0256 8.9049 124.5366 59.3217 29.9248 179.2291 9 T 4.0816 7.9082 108.7519 63.7147 69.2662 176.3739 10 A 4.0667 8.0639 123.6963 55.6350 18.3349 178.8381 11 C 4.1864 8.1791 114.1662 60.1583 39.9238 175.9057 12 R 4.2008 7.7230 121.5301 58.9950 29.5770 178.0570 13 H 4.1012 8.1946 117.7383 59.2788 29.9966 177.1658 14 A 3.8195 7.3928 122.2390 54.3007 17.7794 179.5612 15 K 3.8687 7.6831 117.9688 59.2057 32.4497 178.0353 16 S 4.5920 7.7002 110.2896 57.9795 62.3581 173.7906 17 L 4.4688 9.0266 121.0051 55.8291 42.1937 176.9694 18 G 3.9842 7.7154 115.4990 46.1088 0.0000 173.8514 19 N 5.0756 7.9357 116.1709 53.7506 39.3699 177.4681 20 C 3.8651 8.2168 120.2151 59.2883 43.6999 175.3545 21 R 4.6737 7.9011 113.0498 55.8603 31.5019 175.8128 22 T 4.3778 7.4294 106.1839 61.5438 69.6031 174.2325 23 S 5.0683 7.8497 117.4088 56.3561 64.7895 173.8766 24 Q 4.1663 8.1444 125.0331 58.3836 28.5302 178.5064 25 K 3.8878 7.9076 119.5900 60.1924 32.3413 178.5482 26 Y 4.4251 8.3010 115.0377 60.5165 38.0503 178.0792 27 R 5.0833 7.9129 116.8474 57.6614 30.6426 178.4420 28 A 4.0062 7.9798 122.1857 54.4825 18.7603 179.2333 29 N 4.8001 8.3286 114.0820 55.1683 38.6413 175.0311 30 C 5.0570 7.8120 118.2221 56.4510 42.8828 175.1846 31 A 4.4696 8.0323 122.0420 52.9696 18.3585 180.0615 32 K 4.0527 7.7559 116.1104 58.0585 32.8615 177.4204 33 T 4.1220 7.5926 112.8078 63.3051 67.5231 174.5347 34 C 4.8656 7.8239 117.5852 55.3413 44.7077 172.9655 35 E 3.7948 8.0901 115.8648 58.3879 26.0286 174.8486 36 L 4.2889 7.8255 117.2456 55.1358 42.1687 176.4962 37 C 4.3371 8.1398 124.0395 57.0188 44.4476 173.0652 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 V 8.04 4.05 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 0.92 0.00 0.00 0.91 0.00 0.00 2 C 8.59 4.49 0.00 3.21 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 3 R 7.81 4.51 0.00 1.75 1.91 0.00 2.21 0.00 0.00 2.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.93 0.00 4 D 7.56 4.61 0.00 2.68 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.34 5.15 0.00 3.24 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 F 7.55 5.25 0.00 3.14 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.82 4.35 0.00 1.84 1.73 0.00 1.79 0.00 0.00 1.84 0.00 0.00 2.89 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.55 1.44 7.81 8 E 8.90 4.03 0.00 2.06 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 0.00 2.58 2.30 0.00 9 T 7.91 4.08 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 1.21 0.00 0.00 10 A 8.06 4.07 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.18 4.19 0.00 3.16 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 12 R 7.72 4.20 0.00 1.83 2.05 0.00 3.13 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.51 0.00 13 H 8.19 4.10 0.00 3.20 3.32 0.00 5.66 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 A 7.39 3.82 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.68 3.87 0.00 1.83 1.92 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.41 7.81 16 S 7.70 4.59 0.00 3.89 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 17 L 9.03 4.47 0.00 1.62 1.64 0.97 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 18 G 7.72 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 19 N 7.94 5.08 0.00 2.91 3.22 0.00 0.00 6.92 7.77 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 20 C 8.22 3.87 0.00 2.94 3.09 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 0.00 0.00 0.00 21 R 7.90 4.67 0.00 1.80 1.89 0.00 3.25 0.00 0.00 3.28 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 22 T 7.43 4.38 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 1.27 0.00 0.00 23 S 7.85 5.07 0.00 4.02 4.15 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 24 Q 8.14 4.17 0.00 2.10 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.65 0.00 0.00 0.00 0.00 0.00 2.46 2.35 0.00 25 K 7.91 3.89 0.00 1.97 2.16 0.00 2.19 0.00 0.00 2.09 0.00 0.00 2.97 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.54 1.60 7.81 26 Y 8.30 4.43 0.00 2.95 3.19 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 0.00 0.00 0.00 0.00 27 R 7.91 5.08 0.00 2.17 2.35 0.00 3.21 0.00 0.00 3.29 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.51 0.00 28 A 7.98 4.01 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 29 N 8.33 4.80 0.00 2.60 2.23 0.00 0.00 6.90 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 C 7.81 5.06 0.00 2.96 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 31 A 8.03 4.47 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 K 7.76 4.05 0.00 1.65 1.81 0.00 1.73 0.00 0.00 1.59 0.00 0.00 2.97 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.34 1.30 7.81 33 T 7.59 4.12 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 1.21 0.00 0.00 34 C 7.82 4.87 0.00 2.91 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 35 E 8.09 3.79 0.00 2.16 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 2.18 2.29 0.00 36 L 7.83 4.29 0.00 1.78 1.71 0.95 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 37 C 8.14 4.34 0.00 2.90 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00