NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.7271 8.1700 119.7080 53.1116 41.1294 175.6989 2 H 3.7356 8.6883 117.6020 58.6548 29.4793 175.0158 3 Y 3.8371 8.8040 122.1157 60.9071 39.3249 177.2050 4 N 4.4802 8.9655 119.1303 55.7593 38.5214 176.4586 5 C 4.1398 8.4611 120.3722 59.9100 44.9720 175.9755 6 V 3.6369 8.0641 121.3104 65.2317 31.0372 177.9466 7 S 4.0878 8.1232 113.8072 60.2240 62.7041 175.6110 8 S 4.5304 7.6866 116.2086 58.7502 63.3354 174.8899 9 G 3.8337 8.1299 111.3098 45.0625 0.0000 173.4761 10 G 4.0511 8.0279 108.1123 45.0355 0.0000 172.7026 11 Q 4.8447 8.7766 117.7920 54.0918 32.4908 174.7755 12 C 5.0207 8.7489 120.6457 56.0726 39.8475 173.0645 13 L 5.0429 8.8685 124.1457 53.2013 45.0652 177.6281 14 Y 4.0808 9.0333 119.2929 59.6064 38.3928 175.7617 15 S 4.4934 7.8621 113.9659 56.5221 63.8585 172.8772 16 A 4.1736 8.2298 124.4420 51.9564 18.5700 178.1809 17 C 4.4320 8.5028 118.4729 56.2333 42.1586 172.5114 18 P 4.4844 0.0000 0.0000 61.8420 31.7320 175.6317 19 I 3.6172 7.8944 119.7940 62.8536 37.9970 176.3284 20 F 4.1693 8.4487 123.4298 57.7717 36.7488 174.3898 21 T 4.8547 7.7477 109.9156 59.7179 71.7227 173.3123 22 K 4.6851 8.1903 121.6322 54.4098 36.2212 174.9171 23 I 4.3525 8.3258 125.9930 60.9791 38.7575 176.2290 24 Q 4.4669 9.1398 129.7726 53.3872 29.8137 175.4511 25 G 3.6380 7.3233 108.0613 45.0927 0.0000 172.5267 26 T 5.0587 7.9168 110.7439 60.3479 72.3360 172.9649 27 C 4.7182 8.1223 117.8925 56.0165 39.5661 173.0434 28 Y 3.7710 8.5563 116.1729 60.1254 34.0888 170.5312 29 R 3.9380 8.8743 112.6285 57.3850 28.2478 178.2458 30 G 3.9980 8.4580 103.9942 45.5414 0.0000 174.9053 31 K 4.2342 7.9287 117.7754 57.1145 32.9283 176.4555 32 A 4.5425 7.8280 120.5370 49.7288 22.1327 175.9028 33 K 4.4027 8.6557 119.1527 55.7291 34.3394 175.6141 34 C 4.9898 8.8693 124.6282 55.8764 45.2017 171.5097 35 C 5.4037 9.1836 125.3347 55.0183 42.2843 174.2803 36 K 4.2099 8.8981 125.1374 56.4903 31.6913 175.5932 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 8.17 4.73 0.00 2.94 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 2 H 8.69 3.74 0.00 3.07 3.39 0.00 5.67 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Y 8.80 3.84 0.00 3.13 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 4 N 8.97 4.48 0.00 2.88 2.87 0.00 0.00 6.18 7.46 0.00 0.00 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 C 8.46 4.14 0.00 2.95 3.12 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 0.00 0.00 0.00 6 V 8.06 3.64 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.76 0.00 0.00 7 S 8.12 4.09 0.00 3.91 3.68 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 0.00 0.00 0.00 0.00 8 S 7.69 4.53 0.00 4.05 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 9 G 8.13 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 10 G 8.03 4.05 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 0.00 0.00 0.00 11 Q 8.78 4.84 0.00 1.95 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.83 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 12 C 8.75 5.02 0.00 2.76 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.87 5.04 0.00 1.49 1.53 0.93 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 9.03 4.08 0.00 2.98 3.03 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 0.00 0.00 0.00 0.00 15 S 7.86 4.49 0.00 3.87 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.23 4.17 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 17 C 8.50 4.43 0.00 2.96 3.03 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 0.00 0.00 0.00 0.00 18 P 0.00 4.48 0.00 2.20 1.98 0.00 3.62 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.08 0.00 19 I 7.89 3.62 1.65 0.00 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.59 0.62 0.00 0.00 20 F 8.45 4.17 0.00 3.28 3.17 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 21 T 7.75 4.85 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 1.32 0.00 0.00 22 K 8.19 4.69 0.00 1.80 1.79 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.80 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.41 7.81 23 I 8.33 4.35 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.10 0.90 0.00 0.00 24 Q 9.14 4.47 0.00 1.87 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 25 G 7.32 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.92 5.06 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 27 C 8.12 4.72 0.00 1.95 2.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.56 3.77 0.00 3.15 2.94 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 R 8.87 3.94 0.00 2.01 2.04 0.00 3.45 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 30 G 8.46 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.93 4.23 0.00 2.16 2.15 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.60 7.81 32 A 7.83 4.54 0.53 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 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.66 4.40 0.00 1.75 1.68 0.00 1.89 0.00 0.00 1.56 0.00 0.00 2.79 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.35 7.81 34 C 8.87 4.99 0.00 2.88 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.18 5.40 0.00 2.85 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 36 K 8.90 4.21 0.00 1.65 1.76 0.00 1.95 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.33 7.81