NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6789 8.3044 120.6138 55.2606 33.4293 174.8989 2 K 3.9996 8.6952 128.0398 55.9211 32.0695 170.8577 3 V 3.9130 8.5220 117.5538 59.1206 33.8125 178.0560 4 R 3.7550 7.6398 121.4392 56.5220 29.6761 175.7971 5 A 4.6052 8.2088 117.8709 52.4264 20.9970 176.4518 6 S 4.9021 7.6284 111.0997 55.9517 62.1270 173.4652 7 V 3.1365 7.1571 118.5335 61.6812 31.9646 174.2007 8 K 3.7402 7.9356 129.4306 54.0180 33.3773 177.3045 9 K 4.3178 8.1804 121.9374 57.2219 32.8137 174.1984 10 L 4.6445 7.5837 117.2070 56.2843 49.8100 179.4490 11 C 4.7566 7.7273 127.7533 58.8408 29.4083 176.0545 12 R 4.4505 8.5890 112.0542 56.4435 30.7729 176.5116 13 N 4.7039 8.0630 115.1606 53.3385 38.6275 173.7306 14 C 4.6401 7.8808 117.3778 59.1016 28.8589 172.7829 15 K 4.0675 8.5108 126.1339 57.3982 32.7076 173.8195 16 I 3.8961 7.7807 123.5192 62.6587 34.0797 172.9931 17 V 4.1923 7.4924 130.0702 63.5325 33.1483 175.1098 18 K 4.9616 7.7445 106.6102 56.8271 33.7798 175.4588 19 R 4.3438 7.2851 120.7183 56.8451 31.5086 178.3557 20 D 4.3734 9.7349 118.3448 54.9948 39.3891 174.7245 21 G 3.8337 7.8036 106.7173 45.0586 0.0000 173.5044 22 V 4.0873 8.0098 121.0626 60.6612 32.7777 174.3964 23 I 4.2603 8.5005 129.9510 62.3377 36.5207 175.7806 24 R 4.6167 8.2889 126.1356 54.3693 33.8628 174.9454 25 V 4.7188 8.0652 118.1467 61.5655 34.8000 174.0500 26 I 4.8680 8.4503 127.6305 59.5388 40.9092 173.6669 27 C 5.2251 8.8328 126.7731 56.3859 33.7821 174.0551 28 S 4.4942 8.9108 119.1919 58.8195 62.3133 173.5262 29 A 4.5313 7.4680 120.5549 52.9426 21.4605 176.4190 30 E 4.6250 7.4280 112.0764 53.5421 32.2067 175.9392 31 P 4.2970 0.0000 0.0000 65.2829 31.6698 178.5443 32 K 3.9830 7.2823 117.2868 58.9537 32.1178 177.6324 33 H 4.4334 7.8741 115.3185 57.8509 29.1650 173.9652 34 K 4.4874 7.9763 121.9943 56.6563 32.2249 176.0605 35 Q 5.5094 8.1919 125.8941 53.5447 31.4309 174.3282 36 R 4.7418 7.5722 121.4599 55.8204 33.0032 175.2710 37 Q 3.9988 8.6332 116.2558 55.3814 29.4554 177.8102 38 G 3.8060 8.4588 106.6013 46.7283 0.0000 172.4520 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 M 8.30 4.68 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.55 0.00 2 K 8.70 4.00 0.00 1.83 1.66 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.48 7.81 3 V 8.52 3.91 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 0.80 0.00 0.00 0.93 0.00 0.00 4 R 7.64 3.76 0.00 1.93 1.93 0.00 3.17 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 5 A 8.21 4.61 1.27 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 0.00 0.00 6 S 7.63 4.90 0.00 3.82 3.79 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 0.00 0.00 0.00 0.00 7 V 7.16 3.14 2.31 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 0.72 0.00 0.00 0.93 0.00 0.00 8 K 7.94 3.74 0.00 1.88 1.91 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.31 1.40 7.81 9 K 8.18 4.32 0.00 1.87 1.85 0.00 1.51 0.00 0.00 1.69 0.00 0.00 3.07 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.52 7.81 10 L 7.58 4.64 0.00 1.36 1.19 0.85 0.81 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 11 C 7.73 4.76 0.00 3.12 2.72 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 0.00 0.00 0.00 0.00 12 R 8.59 4.45 0.00 1.91 2.07 0.00 3.03 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 13 N 8.06 4.70 0.00 2.83 2.87 0.00 0.00 7.16 7.66 0.00 0.00 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 C 7.88 4.64 0.00 2.96 2.88 0.00 0.00 0.00 0.00 0.00 0.00 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 8.51 4.07 0.00 1.65 1.81 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.43 7.81 16 I 7.78 3.90 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.11 0.98 0.00 0.00 17 V 7.49 4.19 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 0.97 0.00 0.00 0.93 0.00 0.00 18 K 7.74 4.96 0.00 1.76 1.61 0.00 1.80 0.00 0.00 1.78 0.00 0.00 2.88 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.29 1.29 7.81 19 R 7.29 4.34 0.00 1.91 1.82 0.00 3.32 0.00 0.00 3.34 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.64 0.00 20 D 9.73 4.37 0.00 2.83 2.79 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 0.00 0.00 0.00 0.00 21 G 7.80 3.83 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 0.00 0.00 0.00 22 V 8.01 4.09 2.15 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 0.96 0.00 0.00 0.97 0.00 0.00 23 I 8.50 4.26 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.65 0.91 0.00 0.00 24 R 8.29 4.62 0.00 1.87 1.86 0.00 3.18 0.00 0.00 3.09 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.70 0.00 25 V 8.07 4.72 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 1.11 0.00 0.00 0.96 0.00 0.00 26 I 8.45 4.87 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.92 0.91 0.00 0.00 27 C 8.83 5.23 0.00 3.06 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 28 S 8.91 4.49 0.00 4.02 3.94 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 29 A 7.47 4.53 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 30 E 7.43 4.62 0.00 1.52 1.56 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 2.22 2.18 0.00 31 P 0.00 4.30 0.00 2.16 2.08 0.00 3.57 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.08 0.00 32 K 7.28 3.98 0.00 1.94 1.91 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.42 7.81 33 H 7.87 4.43 0.00 3.24 3.33 0.00 5.70 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 7.98 4.49 0.00 1.81 1.93 0.00 1.65 0.00 0.00 1.74 0.00 0.00 2.80 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.30 7.81 35 Q 8.19 5.51 0.00 1.97 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.48 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 36 R 7.57 4.74 0.00 1.70 1.67 0.00 3.30 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 37 Q 8.63 4.00 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.99 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 38 G 8.46 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 0.00 0.00 0.00