NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0224 8.2127 109.7487 45.0987 0.0000 174.2561 2 I 3.3665 8.2169 117.8944 62.9887 37.5438 172.5588 3 V 3.5120 7.8147 119.1151 65.8667 31.6770 177.0732 4 E 3.9459 8.0381 117.5935 59.0975 29.5910 178.2324 5 Q 4.1388 8.2976 119.5997 59.1540 29.1097 176.5788 6 C 5.1536 8.0612 115.4515 56.1540 40.6671 173.9091 7 C 4.5351 7.9475 117.5119 59.6705 28.6934 174.2921 8 T 4.5487 7.7828 108.3223 61.4379 70.2647 174.3351 9 S 4.6787 7.6282 116.4705 56.5307 66.9349 173.1589 10 I 3.9958 8.2736 124.5608 61.2402 37.3498 176.4655 11 C 4.6247 8.6239 123.7353 56.0143 41.6208 174.4796 12 S 4.5153 8.4523 119.3391 57.7500 65.1170 175.2356 13 L 3.9701 8.3307 120.8814 58.0867 40.9532 179.3379 14 Y 4.0834 7.7600 115.4961 61.2011 37.7671 178.1461 15 Q 4.2288 8.3508 119.0199 58.8376 28.7531 178.7248 16 L 4.3615 8.2269 120.2188 57.8533 41.7376 179.0031 17 E 3.9966 8.5098 119.0458 58.9039 29.2082 178.2866 18 N 4.2531 7.7303 115.8393 56.2685 38.9871 175.2688 19 Y 4.5002 7.7926 115.6875 57.3034 38.5919 175.5860 20 C 4.4653 7.3815 118.2384 59.2714 29.0649 173.5054 21 N 4.5438 8.5743 117.9256 53.7939 38.1478 175.3269 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 G 8.21 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.22 3.37 1.16 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.59 0.75 0.00 0.00 3 V 7.81 3.51 2.06 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 0.96 0.00 0.00 0.89 0.00 0.00 4 E 8.04 3.95 0.00 2.02 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 2.31 2.38 0.00 5 Q 8.30 4.14 0.00 2.31 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.56 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 6 C 8.06 5.15 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 7 C 7.95 4.54 0.00 3.13 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 8 T 7.78 4.55 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 9 S 7.63 4.68 0.00 4.04 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 10 I 8.27 4.00 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.47 0.92 0.00 0.00 11 C 8.62 4.62 0.00 2.99 3.10 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.45 4.52 0.00 4.25 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 13 L 8.33 3.97 0.00 1.23 1.51 0.77 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.76 4.08 0.00 2.99 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 Q 8.35 4.23 0.00 2.47 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.44 2.50 0.00 16 L 8.23 4.36 0.00 1.91 1.77 0.95 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.51 4.00 0.00 2.08 2.19 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 2.33 2.33 0.00 18 N 7.73 4.25 0.00 2.64 2.09 0.00 0.00 7.14 7.21 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 19 Y 7.79 4.50 0.00 2.90 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 20 C 7.38 4.47 0.00 3.07 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 21 N 8.57 4.54 0.00 2.71 2.74 0.00 0.00 6.80 7.56 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