NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9752 8.2127 109.7424 45.2307 0.0000 173.5257 2 I 3.1507 8.1023 117.5365 63.2906 37.3342 173.0728 3 V 3.5482 8.3516 120.0808 65.9694 31.8667 177.3321 4 E 3.9790 8.0430 117.8974 59.4137 29.1571 179.2611 5 Q 4.0006 8.0638 117.1517 58.7844 28.9940 177.1754 6 C 4.6914 8.5114 115.2251 57.1498 41.3421 174.2554 7 C 4.4278 7.7519 118.6951 61.5094 32.4216 174.9071 8 T 3.9911 8.2230 115.1135 66.5314 68.4572 174.6624 9 S 4.7344 7.7090 115.9824 56.9550 64.2981 172.7006 10 I 4.7580 8.0874 111.0777 59.4652 40.3064 173.1427 11 C 5.1384 8.3164 115.1112 52.9987 41.3967 174.1757 12 S 4.6364 8.9871 116.6524 57.5444 65.1410 175.3428 13 L 4.0332 8.2782 121.6781 57.8460 41.3936 179.0740 14 Y 4.1832 7.8245 116.6188 61.1754 37.9064 178.2725 15 Q 4.0919 8.3973 119.0188 58.8825 28.8097 178.7388 16 L 4.2816 7.9930 120.0413 57.6915 41.6931 179.0750 17 E 4.1534 7.9875 118.1571 58.5693 29.1103 178.6389 18 N 4.2980 7.9867 116.1019 55.3422 38.4900 175.0910 19 Y 4.5670 7.4826 115.9499 57.7352 38.4610 175.6628 20 C 4.4589 7.6176 118.0679 59.4713 29.0718 173.5448 21 N 4.5425 8.5599 118.1482 53.6541 38.3080 175.3415 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 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 I 8.10 3.15 0.56 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.49 0.65 0.00 0.00 3 V 8.35 3.55 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 1.02 0.00 0.00 0.87 0.00 0.00 4 E 8.04 3.98 0.00 2.24 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 2.40 2.46 0.00 5 Q 8.06 4.00 0.00 2.11 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.16 0.00 0.00 0.00 0.00 0.00 2.45 2.62 0.00 6 C 8.51 4.69 0.00 2.94 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 7.75 4.43 0.00 2.88 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 8 T 8.22 3.99 4.40 0.00 0.00 0.00 0.00 0.00 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 7.71 4.73 0.00 3.84 4.10 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 10 I 8.09 4.76 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 1.48 0.87 0.92 0.00 0.00 11 C 8.32 5.14 0.00 3.23 3.24 0.00 0.00 0.00 0.00 0.00 0.00 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 8.99 4.64 0.00 4.21 4.13 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 13 L 8.28 4.03 0.00 1.38 1.61 0.84 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.82 4.18 0.00 3.04 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 15 Q 8.40 4.09 0.00 2.35 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.83 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 16 L 7.99 4.28 0.00 1.95 1.79 0.92 0.98 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 17 E 7.99 4.15 0.00 2.17 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 0.00 2.32 2.51 0.00 18 N 7.99 4.30 0.00 2.10 2.31 0.00 0.00 6.80 7.00 0.00 0.00 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 7.48 4.57 0.00 3.00 2.98 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 0.00 0.00 0.00 0.00 20 C 7.62 4.46 0.00 3.01 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 8.56 4.54 0.00 2.72 2.73 0.00 0.00 6.82 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00