NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0499 8.1600 109.1360 45.1608 0.0000 174.5943 2 I 3.4099 8.2883 121.3614 63.0594 38.0750 173.1997 3 V 3.5287 8.3402 119.9446 65.9996 31.2795 177.2778 4 E 4.0840 8.0196 117.8828 59.1011 29.4062 178.7310 5 Q 3.9746 8.7054 120.0092 59.5637 28.9465 177.8510 6 C 4.2926 8.5330 116.4720 59.7758 40.2225 175.0484 7 C 4.1885 7.4496 118.0260 61.9754 31.5056 175.3506 8 T 4.2071 8.4116 117.1156 67.3521 68.6758 174.2879 9 S 4.4784 8.4375 114.2816 57.0842 65.2630 173.2701 10 I 4.0425 8.2463 113.1311 61.4631 38.2351 175.8611 11 C 5.1397 8.4357 119.2381 54.6534 38.2937 174.2647 12 S 4.9598 8.5347 118.7353 56.8746 65.9423 175.6381 13 L 4.0255 8.3603 122.9244 57.9832 41.1172 179.4445 14 Y 4.0788 7.8705 115.8496 61.2533 37.6683 178.1251 15 Q 4.2524 8.2662 118.7939 58.9114 28.9357 178.6569 16 L 4.2669 7.9310 119.2034 57.1163 41.5320 178.7901 17 E 4.0816 7.9925 119.5013 58.6523 29.2839 178.0212 18 N 4.2949 7.8558 115.6047 56.0890 38.9549 174.6760 19 Y 4.3907 7.6069 115.5514 57.7948 38.3266 175.4972 20 C 4.4395 7.5753 118.5012 59.4551 29.0045 173.5546 21 N 4.5337 8.5875 118.6388 53.7030 38.2562 175.2726 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 8.16 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 2 I 8.29 3.41 1.81 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.45 -0.09 0.00 0.00 3 V 8.34 3.53 2.01 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 0.96 0.00 0.00 0.79 0.00 0.00 4 E 8.02 4.08 0.00 2.22 1.96 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 2.39 2.40 0.00 5 Q 8.71 3.97 0.00 2.13 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 6 C 8.53 4.29 0.00 2.88 3.11 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 0.00 0.00 0.00 0.00 7 C 7.45 4.19 0.00 3.10 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 8.41 4.21 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 1.21 0.00 0.00 9 S 8.44 4.48 0.00 3.89 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 10 I 8.25 4.04 1.88 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 0.61 0.92 0.00 0.00 11 C 8.44 5.14 0.00 2.92 2.97 0.00 0.00 0.00 0.00 0.00 0.00 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 8.53 4.96 0.00 4.23 4.07 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 13 L 8.36 4.03 0.00 1.46 1.61 0.84 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.87 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 Q 8.27 4.25 0.00 2.39 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.45 2.49 0.00 16 L 7.93 4.27 0.00 1.91 1.74 0.90 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 17 E 7.99 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 2.32 2.31 0.00 18 N 7.86 4.29 0.00 2.74 2.65 0.00 0.00 7.13 7.42 0.00 0.00 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 7.61 4.39 0.00 3.18 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 20 C 7.58 4.44 0.00 2.92 2.87 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 21 N 8.59 4.53 0.00 2.72 2.73 0.00 0.00 6.81 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