NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.3833 8.0333 111.0720 61.4116 69.7483 170.6968 2 I 4.4663 7.8250 128.4417 58.3327 40.5404 173.1170 3 I 4.4302 8.6445 122.0338 59.3900 40.8565 175.1846 4 N 5.0084 8.5389 116.6760 51.2016 38.7921 172.8619 5 V 4.4507 7.6651 120.2855 60.5908 35.3510 174.0996 6 K 4.9210 9.0100 127.3816 55.8616 32.7700 174.9422 7 C 4.9770 8.4410 117.5463 54.4501 45.9489 174.6947 8 T 4.5231 7.8711 109.4898 61.9263 67.5115 172.7709 9 S 4.6225 7.5346 110.9122 56.7050 64.6404 175.1142 10 P 4.3915 0.0000 0.0000 64.8773 31.3758 178.3607 11 K 4.1668 7.9434 116.0993 57.8481 32.2845 177.8053 12 Q 4.2589 7.6368 117.8250 56.9935 29.2065 175.2395 13 C 4.8038 7.8529 117.1933 57.2637 43.2565 174.2770 14 S 4.3644 7.6828 114.9890 59.5362 62.7203 176.0297 15 K 4.0998 7.8115 122.6349 58.8277 32.0835 177.2252 16 P 4.3400 0.0000 0.0000 66.2308 31.4325 179.1235 17 C 4.5062 8.0760 116.1518 59.1687 38.3931 175.3457 18 K 4.1106 7.7628 117.5335 57.2355 31.7967 177.8985 19 E 4.2179 7.6022 118.3353 58.0298 29.7525 176.9101 20 L 4.1951 7.4950 118.5517 56.3367 42.3148 177.4612 21 Y 4.3518 8.6188 117.3721 58.6907 38.6412 176.0412 22 G 4.3260 9.0737 115.8806 44.4168 0.0000 174.1516 23 S 4.5649 7.6481 113.4873 57.6071 67.2648 174.9847 24 S 4.7892 8.0184 116.1699 57.2329 60.7085 171.3992 25 A 4.6647 7.8743 121.5556 49.9407 22.1842 177.4703 26 G 3.9468 8.6546 110.9745 44.9011 0.0000 170.2704 27 A 5.0161 8.1793 126.1128 50.8618 20.2364 176.4675 28 K 4.6741 8.8089 121.6884 54.9800 36.1074 174.8686 29 C 5.3607 8.8819 123.3320 55.2340 41.3868 172.8866 30 M 4.6792 8.4445 126.2950 54.5445 33.8567 174.4040 31 N 4.4783 9.7765 124.7448 52.5512 37.5769 174.6875 32 G 4.3455 7.6990 102.2890 44.8750 0.0000 172.6162 33 K 5.2503 7.9981 117.9215 55.6138 37.5893 175.9835 34 C 5.2028 8.7647 122.3674 54.9863 41.4877 172.4080 35 K 4.6658 8.7819 123.6165 54.6738 35.5710 174.5770 36 C 4.7005 8.0537 119.8383 55.5739 42.2969 172.7357 37 Y 4.5498 8.0509 125.8419 57.3494 40.4283 175.1932 38 N 5.2406 8.5523 119.9133 51.4254 42.9150 174.0058 39 N 4.5221 8.1640 115.8105 53.6587 38.7006 175.3788 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 T 8.03 4.38 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 1.27 0.00 0.00 2 I 7.83 4.47 1.83 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 1.31 0.74 0.92 0.00 0.00 3 I 8.64 4.43 1.87 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 1.20 0.61 0.92 0.00 0.00 4 N 8.54 5.01 0.00 2.56 2.74 0.00 0.00 6.48 7.67 0.00 0.00 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 V 7.67 4.45 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.93 0.00 0.00 6 K 9.01 4.92 0.00 1.68 1.72 0.00 1.92 0.00 0.00 0.91 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.22 7.81 7 C 8.44 4.98 0.00 3.10 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 8 T 7.87 4.52 4.24 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 1.21 0.00 0.00 9 S 7.53 4.62 0.00 3.98 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 10 P 0.00 4.39 0.00 2.21 2.30 0.00 3.59 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 11 K 7.94 4.17 0.00 1.75 1.86 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.37 7.81 12 Q 7.64 4.26 0.00 2.05 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.74 0.00 0.00 0.00 0.00 0.00 2.33 2.49 0.00 13 C 7.85 4.80 0.00 3.01 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 S 7.68 4.36 0.00 3.92 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 15 K 7.81 4.10 0.00 1.95 1.84 0.00 1.80 0.00 0.00 1.87 0.00 0.00 2.98 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.53 1.63 7.81 16 P 0.00 4.34 0.00 2.28 2.31 0.00 3.71 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.06 0.00 17 C 8.08 4.51 0.00 3.02 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 18 K 7.76 4.11 0.00 2.12 1.99 0.00 1.77 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.52 7.81 19 E 7.60 4.22 0.00 2.24 2.16 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 2.28 2.33 0.00 20 L 7.50 4.20 0.00 1.89 1.22 1.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 21 Y 8.62 4.35 0.00 3.07 3.21 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 22 G 9.07 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 S 7.65 4.56 0.00 3.81 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 24 S 8.02 4.79 0.00 3.97 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 A 7.87 4.66 1.26 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 0.00 0.00 0.00 26 G 8.65 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.18 5.02 1.26 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 0.00 0.00 0.00 28 K 8.81 4.67 0.00 1.85 1.74 0.00 1.73 0.00 0.00 1.60 0.00 0.00 2.59 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.69 7.81 29 C 8.88 5.36 0.00 3.01 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 30 M 8.44 4.68 0.00 2.01 1.94 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.64 0.00 31 N 9.78 4.48 0.00 2.89 2.84 0.00 0.00 6.94 7.66 0.00 0.00 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 G 7.70 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.00 5.25 0.00 1.63 1.65 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.36 1.23 7.81 34 C 8.76 5.20 0.00 3.10 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.78 4.67 0.00 1.75 1.33 0.00 1.85 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.27 1.38 7.81 36 C 8.05 4.70 0.00 2.85 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 Y 8.05 4.55 0.00 2.98 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 N 8.55 5.24 0.00 2.62 2.66 0.00 0.00 7.46 8.31 0.00 0.00 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 N 8.16 4.52 0.00 2.84 2.72 0.00 0.00 6.90 7.53 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