NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.5473 8.3649 120.5194 54.2514 43.4515 176.1781 2 D 4.4349 7.7338 120.5909 50.1401 39.4900 173.7324 3 G 3.7442 7.2432 106.7764 45.8537 0.0000 168.2076 4 L 4.9739 7.4461 118.2829 53.5147 46.7548 175.9455 5 C 5.2240 8.5691 118.8342 55.9938 40.9023 172.4003 6 Y 5.0400 8.2110 123.1578 55.7249 41.7929 173.4195 7 E 5.2085 10.2879 116.1029 53.9333 33.8736 176.7826 8 G 4.6234 8.0891 112.3468 46.4576 0.0000 174.5515 9 T 4.5159 8.3225 118.8987 63.7267 70.3313 174.6398 10 N 4.5203 8.4840 121.7756 55.9206 39.2142 175.8304 11 C 4.9553 7.2925 113.2608 56.8845 41.6264 174.1612 12 G 3.8651 8.4588 105.6598 46.5500 0.0000 174.6805 13 K 4.1894 7.6330 117.0120 56.0882 32.8990 177.3065 14 V 3.6088 7.4846 119.2878 66.6387 31.6795 174.5202 15 G 4.1445 9.1965 116.2918 45.3288 0.0000 173.1975 16 K 3.6773 7.2168 120.7540 55.4030 33.4649 173.9052 17 Y 4.9900 8.1398 120.8074 58.0093 43.3054 173.1026 18 C 5.5536 8.6673 116.4404 55.7253 40.0371 171.1189 19 C 5.2405 8.8241 113.4304 52.9763 44.2790 173.6988 20 S 4.7502 8.5535 116.2844 57.1946 63.4507 173.4787 21 P 4.5060 0.0000 0.0000 65.2092 31.7932 176.6740 22 I 4.6429 8.0621 115.7906 60.5628 42.1135 176.2783 23 G 5.2105 8.2620 120.8995 46.8178 0.0000 174.1345 24 K 3.6622 8.0190 118.7402 59.5056 31.7360 176.3414 25 Y 4.1638 7.1730 115.9928 56.8440 39.5164 174.6572 26 C 4.2820 8.0213 119.6790 57.9862 36.5025 173.4890 27 V 4.4122 7.9042 119.5995 61.4602 33.8177 174.5865 28 C 5.5039 8.3742 124.4576 55.8060 37.8340 172.3487 29 Y 4.7745 8.3704 117.5002 57.2016 42.3712 175.8284 30 D 4.2570 8.9234 119.6422 56.1770 40.0761 176.8159 31 S 4.4717 7.7882 117.5863 57.1585 62.4689 174.5880 32 K 3.9302 9.0877 126.9794 60.1961 31.7124 178.6179 33 A 3.9164 7.9313 121.1456 55.2364 18.4707 179.4821 34 I 3.4908 7.8973 118.5422 64.4267 36.4892 177.6347 35 C 4.3575 7.9895 119.0876 59.5919 43.3708 174.7097 36 N 4.2341 7.7591 117.4200 57.2843 38.7494 176.0570 37 K 3.9095 8.3723 120.6894 58.8223 32.0556 177.1295 38 N 4.3832 7.5669 122.1917 56.1044 39.5150 176.0775 39 C 4.5268 7.6777 114.8686 60.2763 40.4800 174.0207 40 T 4.1654 7.7383 111.9135 61.8970 68.4830 174.0346 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 D 8.36 4.55 0.00 2.65 2.77 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 0.00 0.00 0.00 0.00 2 D 7.73 4.43 0.00 2.67 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.24 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 L 7.45 4.97 0.00 1.65 1.61 0.95 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 5 C 8.57 5.22 0.00 2.91 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 6 Y 8.21 5.04 0.00 3.09 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 7 E 10.29 5.21 0.00 2.45 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 0.00 2.29 2.41 0.00 8 G 8.09 4.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 T 8.32 4.52 4.28 0.00 0.00 0.00 0.00 0.00 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 10 N 8.48 4.52 0.00 2.93 3.02 0.00 0.00 7.07 7.78 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 11 C 7.29 4.96 0.00 2.89 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 8.46 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.63 4.19 0.00 1.84 1.94 0.00 1.38 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.35 7.81 14 V 7.48 3.61 2.04 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 0.72 0.00 0.00 0.91 0.00 0.00 15 G 9.20 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.22 3.68 0.00 1.54 1.54 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.18 1.22 7.81 17 Y 8.14 4.99 0.00 2.87 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 18 C 8.67 5.55 0.00 2.46 2.77 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 0.00 0.00 0.00 0.00 19 C 8.82 5.24 0.00 2.93 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.55 4.75 0.00 3.98 3.96 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.51 0.00 2.28 2.26 0.00 4.02 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.99 0.00 22 I 8.06 4.64 1.94 0.00 0.00 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 1.39 0.87 1.03 0.00 0.00 23 G 8.26 5.21 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 0.00 0.00 0.00 24 K 8.02 3.66 0.00 1.57 1.87 0.00 1.51 0.00 0.00 1.84 0.00 0.00 2.89 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.36 0.21 7.81 25 Y 7.17 4.16 0.00 3.09 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.02 4.28 0.00 3.15 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 27 V 7.90 4.41 2.29 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 1.10 0.00 0.00 1.18 0.00 0.00 28 C 8.37 5.50 0.00 2.68 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 29 Y 8.37 4.77 0.00 2.92 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 D 8.92 4.26 0.00 2.81 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 31 S 7.79 4.47 0.00 3.81 3.88 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 32 K 9.09 3.93 0.00 1.64 1.80 0.00 1.38 0.00 0.00 1.56 0.00 0.00 2.64 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.45 7.81 33 A 7.93 3.92 1.30 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 0.00 0.00 34 I 7.90 3.49 1.87 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.77 -0.36 0.00 0.00 35 C 7.99 4.36 0.00 3.16 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 36 N 7.76 4.23 0.00 2.72 2.91 0.00 0.00 7.29 7.17 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 37 K 8.37 3.91 0.00 1.74 1.53 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.56 7.81 38 N 7.57 4.38 0.00 2.37 2.58 0.00 0.00 6.88 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 39 C 7.68 4.53 0.00 3.06 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 40 T 7.74 4.17 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 0.89 0.00 0.00