NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 G 3.8914 8.3549 109.7204 45.3497 0.0000 173.5405 9 H 4.3300 8.0890 117.1275 54.4941 30.2210 171.4499 10 V 4.4190 8.4192 124.1158 61.1376 32.9291 173.2445 11 A 4.0840 7.8238 123.1402 54.3258 18.8964 178.2964 12 G 3.9545 9.0881 110.7581 45.6785 0.0000 173.4447 13 S 4.7257 7.6499 113.2915 57.7901 62.7987 173.3672 14 M 4.4597 7.7586 117.6052 53.3788 33.6915 174.4448 15 D 4.5060 8.5565 124.8451 54.4443 41.9792 175.9353 16 I 5.3650 8.0567 126.1546 60.8297 38.4035 177.8526 17 T 3.8501 10.4369 119.9016 66.9340 68.1829 176.2650 18 Q 4.0217 8.0749 119.3221 59.0956 28.6934 178.7655 19 Q 3.9991 8.0882 118.3313 59.2738 28.8408 178.7729 20 E 4.0756 8.1901 119.3638 59.2428 29.4527 179.3805 21 K 3.9234 8.1249 119.5224 59.8472 32.2731 178.5861 22 T 3.9296 8.5037 116.3479 66.9835 68.3907 176.0672 23 F 4.4264 9.0791 122.3091 61.2253 39.3831 176.5626 24 A 3.9036 8.2459 120.6627 55.3378 17.8034 179.7712 25 G 3.5139 8.1847 103.6493 47.9567 0.0000 175.1956 26 F 4.0379 8.5416 124.3947 61.0418 39.1691 177.1936 27 V 3.4702 8.3257 117.5949 66.3965 31.2498 178.0561 28 R 3.9052 8.0046 117.2031 59.4611 29.8835 178.5041 29 M 3.9305 8.9501 118.6674 58.8940 32.1718 177.8760 30 V 3.4502 7.5010 117.9744 66.6877 31.6542 177.7804 31 T 3.8386 7.5849 114.7149 67.0790 68.1935 175.5051 32 W 4.1509 8.2472 127.5373 61.0971 30.8652 177.6512 33 A 3.2840 9.6864 115.0834 55.2619 17.9745 179.7677 34 A 3.7502 7.6302 118.2685 54.1337 19.4117 180.1113 35 V 3.4214 7.6561 116.1849 65.9854 31.4699 178.2288 36 V 3.2338 7.6580 118.2548 66.0248 30.6882 178.0632 37 I 3.5829 7.4488 118.6894 64.3220 37.0504 178.2614 38 V 3.6856 7.8413 118.8059 66.1110 31.2312 177.3130 39 A 3.8880 8.3579 120.2947 55.5965 18.0112 179.2393 40 A 3.9872 8.3206 118.3207 55.4482 18.5870 179.4330 41 L 3.8580 9.0125 117.5790 58.3701 41.6660 179.6221 42 I 3.6300 8.3272 119.4848 65.4980 37.1030 177.4666 43 F 3.6195 9.1595 119.3017 61.4945 39.0416 176.9599 44 L 3.9793 9.0975 119.0060 58.8571 42.3203 179.0363 45 A 3.8480 8.5725 119.8149 55.6351 17.9910 179.1083 46 L 3.7250 8.1165 116.6392 58.2305 42.0550 179.9564 47 A 3.9875 7.6482 119.1110 54.4286 18.3602 177.5750 48 N 4.8057 8.7183 111.5686 52.8018 41.3435 173.9719 49 A 4.1618 8.3896 125.5370 52.9003 18.3533 176.9969 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 8 G 8.35 3.89 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 0.00 9 H 8.09 4.33 0.00 3.25 3.22 0.00 5.72 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.42 4.42 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 0.92 0.00 0.00 0.94 0.00 0.00 11 A 7.82 4.08 1.26 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 0.00 0.00 0.00 12 G 9.09 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 13 S 7.65 4.73 0.00 3.85 3.82 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 14 M 7.76 4.46 0.00 2.00 1.92 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.50 0.00 15 D 8.56 4.51 0.00 2.68 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 16 I 8.06 5.36 2.03 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 1.42 1.17 0.95 0.00 0.00 17 T 10.44 3.85 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 18 Q 8.07 4.02 0.00 2.06 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.88 0.00 0.00 0.00 0.00 0.00 2.46 2.41 0.00 19 Q 8.09 4.00 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.89 0.00 0.00 0.00 0.00 0.00 2.43 2.52 0.00 20 E 8.19 4.08 0.00 2.19 2.07 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 2.39 2.57 0.00 21 K 8.12 3.92 0.00 1.85 2.00 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.50 7.81 22 T 8.50 3.93 4.48 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 1.26 0.00 0.00 23 F 9.08 4.43 0.00 2.94 3.18 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 0.00 0.00 0.00 0.00 24 A 8.25 3.90 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.18 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.54 4.04 0.00 3.25 3.45 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.33 3.47 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 0.86 0.00 0.00 0.45 0.00 0.00 28 R 8.00 3.91 0.00 1.99 1.95 0.00 3.16 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 29 M 8.95 3.93 0.00 1.85 2.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.55 0.00 30 V 7.50 3.45 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 0.87 0.00 0.00 0.19 0.00 0.00 31 T 7.58 3.84 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 32 W 8.25 4.15 0.00 3.24 3.43 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 0.00 0.00 0.00 0.00 33 A 9.69 3.28 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.63 3.75 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 35 V 7.66 3.42 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 0.79 0.00 0.00 0.93 0.00 0.00 36 V 7.66 3.23 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 -0.36 0.00 0.00 37 I 7.45 3.58 1.98 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.60 0.88 0.00 0.00 38 V 7.84 3.69 2.03 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 0.90 0.00 0.00 0.92 0.00 0.00 39 A 8.36 3.89 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 A 8.32 3.99 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.01 3.86 0.00 1.91 1.77 0.91 0.96 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 42 I 8.33 3.63 2.22 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.71 0.91 0.00 0.00 43 F 9.16 3.62 0.00 3.05 3.13 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 0.00 0.00 0.00 44 L 9.10 3.98 0.00 1.92 1.98 0.98 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 45 A 8.57 3.85 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.12 3.73 0.00 1.43 1.56 0.82 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 47 A 7.65 3.99 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.72 4.81 0.00 2.57 2.76 0.00 0.00 7.15 8.11 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 49 A 8.39 4.16 1.25 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